USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0479 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.7! C(o=-4.7!,f=-5!) USER MOD Single : A 23 GLN : amide:sc= -3.02! C(o=-3!,f=-4.3!) USER MOD Single : A 29 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.063) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.861 K(o=-0.86,f=-4.1!) USER MOD Single : A 41 SER OG : rot -55:sc= 0.997 USER MOD Single : A 42 ASN : amide:sc= 0.2 X(o=0.2,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.0723 K(o=-0.072,f=-1.6!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00133 USER MOD Single : A 56 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.5!) USER MOD Single : A 57 ASN : amide:sc= 0.898 K(o=0.9,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.298 -2.331 -10.772 1.00 0.00 N ATOM 175 CA PHE A 14 -5.686 -2.971 -9.520 1.00 0.00 C ATOM 176 C PHE A 14 -6.811 -2.197 -8.839 1.00 0.00 C ATOM 177 O PHE A 14 -6.926 -0.980 -8.994 1.00 0.00 O ATOM 178 CB PHE A 14 -4.482 -3.076 -8.582 1.00 0.00 C ATOM 179 CG PHE A 14 -3.219 -3.502 -9.273 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.960 -4.843 -9.507 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.290 -2.562 -9.690 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.797 -5.238 -10.142 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.126 -2.951 -10.326 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.880 -4.291 -10.553 1.00 0.00 C ATOM 0 HA PHE A 14 -6.047 -3.974 -9.750 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.318 -2.110 -8.105 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.711 -3.788 -7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.675 -5.588 -9.190 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.478 -1.513 -9.516 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.606 -6.287 -10.316 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.410 -2.208 -10.645 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.028 -4.598 -11.051 1.00 0.00 H new ATOM 194 N THR A 15 -7.640 -2.911 -8.084 1.00 0.00 N ATOM 195 CA THR A 15 -8.756 -2.293 -7.380 1.00 0.00 C ATOM 196 C THR A 15 -8.435 -2.097 -5.903 1.00 0.00 C ATOM 197 O THR A 15 -7.577 -2.785 -5.349 1.00 0.00 O ATOM 198 CB THR A 15 -10.038 -3.138 -7.508 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.126 -2.480 -6.850 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.836 -4.520 -6.905 1.00 0.00 C ATOM 0 H THR A 15 -7.559 -3.918 -7.945 1.00 0.00 H new ATOM 0 HA THR A 15 -8.922 -1.321 -7.844 1.00 0.00 H new ATOM 0 HB THR A 15 -10.269 -3.250 -8.567 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.937 -3.023 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.754 -5.099 -7.007 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.026 -5.030 -7.427 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.583 -4.423 -5.849 1.00 0.00 H new ATOM 208 N ASP A 16 -9.128 -1.157 -5.271 1.00 0.00 N ATOM 209 CA ASP A 16 -8.917 -0.872 -3.856 1.00 0.00 C ATOM 210 C ASP A 16 -8.572 -2.146 -3.091 1.00 0.00 C ATOM 211 O ASP A 16 -7.653 -2.161 -2.273 1.00 0.00 O ATOM 212 CB ASP A 16 -10.163 -0.222 -3.254 1.00 0.00 C ATOM 213 CG ASP A 16 -10.333 1.220 -3.691 1.00 0.00 C ATOM 214 OD1 ASP A 16 -9.698 2.104 -3.078 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.099 1.464 -4.645 1.00 0.00 O ATOM 0 H ASP A 16 -9.841 -0.579 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.079 -0.180 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.044 -0.793 -3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.102 -0.264 -2.167 1.00 0.00 H new ATOM 220 N TYR A 17 -9.317 -3.212 -3.362 1.00 0.00 N ATOM 221 CA TYR A 17 -9.092 -4.490 -2.697 1.00 0.00 C ATOM 222 C TYR A 17 -7.652 -4.958 -2.887 1.00 0.00 C ATOM 223 O TYR A 17 -6.940 -5.217 -1.917 1.00 0.00 O ATOM 224 CB TYR A 17 -10.058 -5.546 -3.236 1.00 0.00 C ATOM 225 CG TYR A 17 -9.868 -6.913 -2.619 1.00 0.00 C ATOM 226 CD1 TYR A 17 -8.730 -7.665 -2.885 1.00 0.00 C ATOM 227 CD2 TYR A 17 -10.824 -7.452 -1.767 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.552 -8.915 -2.324 1.00 0.00 C ATOM 229 CE2 TYR A 17 -10.654 -8.700 -1.200 1.00 0.00 C ATOM 230 CZ TYR A 17 -9.517 -9.428 -1.482 1.00 0.00 C ATOM 231 OH TYR A 17 -9.343 -10.671 -0.919 1.00 0.00 O ATOM 0 H TYR A 17 -10.082 -3.216 -4.037 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.272 -4.352 -1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.081 -5.215 -3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.932 -5.624 -4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.971 -7.265 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.716 -6.885 -1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.663 -9.487 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.407 -9.104 -0.540 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.113 -10.884 -0.351 1.00 0.00 H new ATOM 241 N GLN A 18 -7.232 -5.062 -4.143 1.00 0.00 N ATOM 242 CA GLN A 18 -5.877 -5.498 -4.461 1.00 0.00 C ATOM 243 C GLN A 18 -4.848 -4.502 -3.937 1.00 0.00 C ATOM 244 O GLN A 18 -3.897 -4.880 -3.251 1.00 0.00 O ATOM 245 CB GLN A 18 -5.715 -5.669 -5.973 1.00 0.00 C ATOM 246 CG GLN A 18 -6.724 -6.625 -6.588 1.00 0.00 C ATOM 247 CD GLN A 18 -6.178 -7.345 -7.806 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.698 -6.717 -8.749 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.249 -8.671 -7.790 1.00 0.00 N ATOM 0 H GLN A 18 -7.809 -4.851 -4.957 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.707 -6.458 -3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.810 -4.695 -6.453 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.709 -6.031 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.025 -7.359 -5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.619 -6.071 -6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.655 -9.150 -6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.897 -9.210 -8.581 1.00 0.00 H new ATOM 258 N LEU A 19 -5.042 -3.230 -4.265 1.00 0.00 N ATOM 259 CA LEU A 19 -4.130 -2.179 -3.827 1.00 0.00 C ATOM 260 C LEU A 19 -4.029 -2.145 -2.306 1.00 0.00 C ATOM 261 O LEU A 19 -3.024 -1.700 -1.751 1.00 0.00 O ATOM 262 CB LEU A 19 -4.599 -0.820 -4.349 1.00 0.00 C ATOM 263 CG LEU A 19 -4.455 -0.592 -5.854 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.115 0.716 -6.262 1.00 0.00 C ATOM 265 CD2 LEU A 19 -2.988 -0.601 -6.257 1.00 0.00 C ATOM 0 H LEU A 19 -5.823 -2.901 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.142 -2.396 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.648 -0.693 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.041 -0.041 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.959 -1.406 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.002 0.861 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.175 0.683 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.642 1.543 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.905 -0.437 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.460 0.192 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.546 -1.564 -6.002 1.00 0.00 H new ATOM 277 N ARG A 20 -5.075 -2.619 -1.637 1.00 0.00 N ATOM 278 CA ARG A 20 -5.103 -2.644 -0.180 1.00 0.00 C ATOM 279 C ARG A 20 -4.061 -3.616 0.368 1.00 0.00 C ATOM 280 O ARG A 20 -3.305 -3.283 1.281 1.00 0.00 O ATOM 281 CB ARG A 20 -6.494 -3.038 0.318 1.00 0.00 C ATOM 282 CG ARG A 20 -6.596 -3.129 1.832 1.00 0.00 C ATOM 283 CD ARG A 20 -6.460 -1.762 2.483 1.00 0.00 C ATOM 284 NE ARG A 20 -7.605 -0.901 2.194 1.00 0.00 N ATOM 285 CZ ARG A 20 -7.589 0.418 2.346 1.00 0.00 C ATOM 286 NH1 ARG A 20 -6.494 1.026 2.782 1.00 0.00 N ATOM 287 NH2 ARG A 20 -8.670 1.133 2.062 1.00 0.00 N ATOM 0 H ARG A 20 -5.914 -2.991 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.866 -1.643 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.220 -2.310 -0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.766 -4.001 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.554 -3.570 2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.819 -3.792 2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.360 -1.883 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.547 -1.282 2.130 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.463 -1.337 1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.661 0.480 3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.485 2.039 2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.514 0.669 1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.657 2.146 2.179 1.00 0.00 H new ATOM 301 N VAL A 21 -4.028 -4.819 -0.196 1.00 0.00 N ATOM 302 CA VAL A 21 -3.080 -5.840 0.235 1.00 0.00 C ATOM 303 C VAL A 21 -1.667 -5.510 -0.234 1.00 0.00 C ATOM 304 O VAL A 21 -0.702 -5.652 0.518 1.00 0.00 O ATOM 305 CB VAL A 21 -3.473 -7.231 -0.296 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.454 -8.275 0.135 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.868 -7.608 0.181 1.00 0.00 C ATOM 0 H VAL A 21 -4.647 -5.111 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.105 -5.855 1.325 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.483 -7.195 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.749 -9.251 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.473 -8.011 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.409 -8.312 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.130 -8.594 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.887 -7.626 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.587 -6.874 -0.182 1.00 0.00 H new ATOM 317 N LEU A 22 -1.552 -5.068 -1.482 1.00 0.00 N ATOM 318 CA LEU A 22 -0.257 -4.716 -2.053 1.00 0.00 C ATOM 319 C LEU A 22 0.385 -3.568 -1.280 1.00 0.00 C ATOM 320 O LEU A 22 1.575 -3.607 -0.968 1.00 0.00 O ATOM 321 CB LEU A 22 -0.413 -4.331 -3.525 1.00 0.00 C ATOM 322 CG LEU A 22 -0.794 -5.465 -4.478 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.221 -4.907 -5.827 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.367 -6.435 -4.643 1.00 0.00 C ATOM 0 H LEU A 22 -2.340 -4.945 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 22 0.393 -5.588 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.172 -3.552 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.526 -3.895 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.637 -6.008 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.488 -5.728 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.082 -4.253 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.399 -4.340 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.078 -7.235 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.229 -5.905 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.627 -6.860 -3.673 1.00 0.00 H new ATOM 336 N GLN A 23 -0.411 -2.550 -0.974 1.00 0.00 N ATOM 337 CA GLN A 23 0.080 -1.391 -0.237 1.00 0.00 C ATOM 338 C GLN A 23 0.366 -1.753 1.217 1.00 0.00 C ATOM 339 O GLN A 23 1.334 -1.272 1.807 1.00 0.00 O ATOM 340 CB GLN A 23 -0.938 -0.251 -0.300 1.00 0.00 C ATOM 341 CG GLN A 23 -0.323 1.125 -0.105 1.00 0.00 C ATOM 342 CD GLN A 23 0.639 1.174 1.065 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.224 1.248 2.222 1.00 0.00 O ATOM 344 NE2 GLN A 23 1.933 1.132 0.771 1.00 0.00 N ATOM 0 H GLN A 23 -1.399 -2.503 -1.225 1.00 0.00 H new ATOM 0 HA GLN A 23 1.010 -1.064 -0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.444 -0.280 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.699 -0.412 0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.202 1.416 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.117 1.855 0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.233 1.071 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.627 1.161 1.518 1.00 0.00 H new ATOM 353 N ASP A 24 -0.481 -2.602 1.788 1.00 0.00 N ATOM 354 CA ASP A 24 -0.319 -3.029 3.173 1.00 0.00 C ATOM 355 C ASP A 24 0.957 -3.848 3.343 1.00 0.00 C ATOM 356 O ASP A 24 1.656 -3.726 4.349 1.00 0.00 O ATOM 357 CB ASP A 24 -1.529 -3.848 3.622 1.00 0.00 C ATOM 358 CG ASP A 24 -1.393 -4.351 5.045 1.00 0.00 C ATOM 359 OD1 ASP A 24 -1.351 -3.512 5.970 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.328 -5.583 5.236 1.00 0.00 O ATOM 0 H ASP A 24 -1.287 -3.008 1.313 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.243 -2.137 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.428 -3.237 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.659 -4.697 2.951 1.00 0.00 H new ATOM 365 N PHE A 25 1.255 -4.683 2.353 1.00 0.00 N ATOM 366 CA PHE A 25 2.445 -5.524 2.394 1.00 0.00 C ATOM 367 C PHE A 25 3.706 -4.694 2.168 1.00 0.00 C ATOM 368 O PHE A 25 4.769 -5.000 2.708 1.00 0.00 O ATOM 369 CB PHE A 25 2.352 -6.627 1.338 1.00 0.00 C ATOM 370 CG PHE A 25 3.346 -7.735 1.540 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.703 -7.505 1.380 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.923 -9.008 1.890 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.620 -8.522 1.566 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.835 -10.029 2.077 1.00 0.00 C ATOM 375 CZ PHE A 25 5.185 -9.786 1.914 1.00 0.00 C ATOM 0 H PHE A 25 0.688 -4.795 1.512 1.00 0.00 H new ATOM 0 HA PHE A 25 2.503 -5.980 3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.346 -7.046 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.504 -6.189 0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.048 -6.519 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.869 -9.204 2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.675 -8.329 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.493 -11.016 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.899 -10.583 2.058 1.00 0.00 H new ATOM 385 N PHE A 26 3.578 -3.641 1.367 1.00 0.00 N ATOM 386 CA PHE A 26 4.706 -2.767 1.068 1.00 0.00 C ATOM 387 C PHE A 26 5.050 -1.893 2.270 1.00 0.00 C ATOM 388 O PHE A 26 6.193 -1.869 2.727 1.00 0.00 O ATOM 389 CB PHE A 26 4.390 -1.887 -0.144 1.00 0.00 C ATOM 390 CG PHE A 26 5.507 -0.955 -0.515 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.726 0.208 0.206 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.339 -1.241 -1.586 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.753 1.068 -0.134 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.368 -0.385 -1.931 1.00 0.00 C ATOM 395 CZ PHE A 26 7.576 0.770 -1.203 1.00 0.00 C ATOM 0 H PHE A 26 2.705 -3.373 0.914 1.00 0.00 H new ATOM 0 HA PHE A 26 5.568 -3.393 0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.162 -2.526 -0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.494 -1.303 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.087 0.445 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.181 -2.144 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.912 1.972 0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.008 -0.619 -2.769 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.381 1.439 -1.469 1.00 0.00 H new ATOM 405 N ASP A 27 4.054 -1.175 2.776 1.00 0.00 N ATOM 406 CA ASP A 27 4.249 -0.299 3.925 1.00 0.00 C ATOM 407 C ASP A 27 4.989 -1.026 5.044 1.00 0.00 C ATOM 408 O ASP A 27 5.755 -0.420 5.792 1.00 0.00 O ATOM 409 CB ASP A 27 2.902 0.214 4.438 1.00 0.00 C ATOM 410 CG ASP A 27 3.055 1.214 5.567 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.560 2.327 5.310 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.669 0.884 6.707 1.00 0.00 O ATOM 0 H ASP A 27 3.103 -1.182 2.408 1.00 0.00 H new ATOM 0 HA ASP A 27 4.854 0.549 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.357 0.679 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.303 -0.629 4.782 1.00 0.00 H new ATOM 417 N ALA A 28 4.754 -2.330 5.152 1.00 0.00 N ATOM 418 CA ALA A 28 5.399 -3.140 6.178 1.00 0.00 C ATOM 419 C ALA A 28 6.702 -3.741 5.663 1.00 0.00 C ATOM 420 O ALA A 28 7.714 -3.745 6.364 1.00 0.00 O ATOM 421 CB ALA A 28 4.458 -4.239 6.650 1.00 0.00 C ATOM 0 H ALA A 28 4.122 -2.848 4.541 1.00 0.00 H new ATOM 0 HA ALA A 28 5.637 -2.493 7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.952 -4.837 7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.555 -3.791 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.192 -4.877 5.807 1.00 0.00 H new ATOM 427 N ASN A 29 6.670 -4.250 4.436 1.00 0.00 N ATOM 428 CA ASN A 29 7.850 -4.856 3.829 1.00 0.00 C ATOM 429 C ASN A 29 7.868 -4.620 2.322 1.00 0.00 C ATOM 430 O ASN A 29 6.905 -4.935 1.622 1.00 0.00 O ATOM 431 CB ASN A 29 7.886 -6.357 4.122 1.00 0.00 C ATOM 432 CG ASN A 29 9.193 -6.998 3.696 1.00 0.00 C ATOM 433 OD1 ASN A 29 10.270 -6.579 4.121 1.00 0.00 O ATOM 434 ND2 ASN A 29 9.104 -8.019 2.852 1.00 0.00 N ATOM 0 H ASN A 29 5.840 -4.255 3.842 1.00 0.00 H new ATOM 0 HA ASN A 29 8.733 -4.387 4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.735 -6.520 5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.060 -6.845 3.605 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.950 -8.490 2.530 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.190 -8.333 2.526 1.00 0.00 H new ATOM 441 N ALA A 30 8.969 -4.064 1.828 1.00 0.00 N ATOM 442 CA ALA A 30 9.114 -3.788 0.404 1.00 0.00 C ATOM 443 C ALA A 30 10.326 -4.510 -0.174 1.00 0.00 C ATOM 444 O ALA A 30 10.748 -4.233 -1.298 1.00 0.00 O ATOM 445 CB ALA A 30 9.225 -2.290 0.166 1.00 0.00 C ATOM 0 H ALA A 30 9.774 -3.796 2.393 1.00 0.00 H new ATOM 0 HA ALA A 30 8.226 -4.160 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.333 -2.098 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.326 -1.795 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.096 -1.901 0.694 1.00 0.00 H new ATOM 451 N TYR A 31 10.883 -5.435 0.600 1.00 0.00 N ATOM 452 CA TYR A 31 12.050 -6.194 0.165 1.00 0.00 C ATOM 453 C TYR A 31 11.860 -7.684 0.431 1.00 0.00 C ATOM 454 O TYR A 31 12.773 -8.384 0.869 1.00 0.00 O ATOM 455 CB TYR A 31 13.306 -5.693 0.880 1.00 0.00 C ATOM 456 CG TYR A 31 13.338 -4.193 1.067 1.00 0.00 C ATOM 457 CD1 TYR A 31 13.418 -3.338 -0.026 1.00 0.00 C ATOM 458 CD2 TYR A 31 13.290 -3.630 2.336 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.449 -1.967 0.140 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.319 -2.260 2.512 1.00 0.00 C ATOM 461 CZ TYR A 31 13.399 -1.433 1.411 1.00 0.00 C ATOM 462 OH TYR A 31 13.429 -0.068 1.581 1.00 0.00 O ATOM 0 H TYR A 31 10.545 -5.677 1.532 1.00 0.00 H new ATOM 0 HA TYR A 31 12.168 -6.047 -0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.375 -6.174 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.184 -5.999 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.457 -3.753 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.229 -4.275 3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.512 -1.317 -0.720 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.279 -1.839 3.506 1.00 0.00 H new ATOM 0 HH TYR A 31 13.385 0.144 2.537 1.00 0.00 H new ATOM 472 N PRO A 32 10.645 -8.182 0.158 1.00 0.00 N ATOM 473 CA PRO A 32 10.306 -9.594 0.359 1.00 0.00 C ATOM 474 C PRO A 32 11.011 -10.507 -0.638 1.00 0.00 C ATOM 475 O PRO A 32 11.730 -10.041 -1.522 1.00 0.00 O ATOM 476 CB PRO A 32 8.791 -9.630 0.138 1.00 0.00 C ATOM 477 CG PRO A 32 8.510 -8.464 -0.746 1.00 0.00 C ATOM 478 CD PRO A 32 9.509 -7.406 -0.366 1.00 0.00 C ATOM 0 HA PRO A 32 10.616 -9.952 1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.481 -10.565 -0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.251 -9.551 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.611 -8.737 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.490 -8.106 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.798 -6.800 -1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.107 -6.725 0.384 1.00 0.00 H new ATOM 486 N LYS A 33 10.801 -11.811 -0.491 1.00 0.00 N ATOM 487 CA LYS A 33 11.415 -12.791 -1.379 1.00 0.00 C ATOM 488 C LYS A 33 10.354 -13.532 -2.187 1.00 0.00 C ATOM 489 O LYS A 33 9.157 -13.388 -1.939 1.00 0.00 O ATOM 490 CB LYS A 33 12.248 -13.789 -0.573 1.00 0.00 C ATOM 491 CG LYS A 33 12.924 -13.177 0.641 1.00 0.00 C ATOM 492 CD LYS A 33 12.043 -13.267 1.876 1.00 0.00 C ATOM 493 CE LYS A 33 12.821 -12.938 3.141 1.00 0.00 C ATOM 494 NZ LYS A 33 11.923 -12.508 4.248 1.00 0.00 N ATOM 0 H LYS A 33 10.209 -12.214 0.236 1.00 0.00 H new ATOM 0 HA LYS A 33 12.068 -12.259 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.605 -14.606 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.009 -14.222 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.868 -13.688 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.162 -12.133 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.203 -12.580 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.626 -14.271 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.391 -13.813 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.541 -12.147 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.491 -12.293 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.397 -11.659 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.252 -13.272 4.468 1.00 0.00 H new ATOM 508 N ASP A 34 10.802 -14.327 -3.153 1.00 0.00 N ATOM 509 CA ASP A 34 9.892 -15.093 -3.996 1.00 0.00 C ATOM 510 C ASP A 34 8.822 -15.782 -3.154 1.00 0.00 C ATOM 511 O ASP A 34 7.629 -15.672 -3.437 1.00 0.00 O ATOM 512 CB ASP A 34 10.667 -16.132 -4.808 1.00 0.00 C ATOM 513 CG ASP A 34 9.754 -17.130 -5.493 1.00 0.00 C ATOM 514 OD1 ASP A 34 8.827 -16.694 -6.207 1.00 0.00 O ATOM 515 OD2 ASP A 34 9.968 -18.348 -5.316 1.00 0.00 O ATOM 0 H ASP A 34 11.790 -14.457 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 34 9.401 -14.401 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.273 -15.624 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.354 -16.664 -4.150 1.00 0.00 H new ATOM 520 N ASP A 35 9.258 -16.494 -2.121 1.00 0.00 N ATOM 521 CA ASP A 35 8.338 -17.201 -1.237 1.00 0.00 C ATOM 522 C ASP A 35 7.221 -16.277 -0.763 1.00 0.00 C ATOM 523 O ASP A 35 6.046 -16.642 -0.792 1.00 0.00 O ATOM 524 CB ASP A 35 9.090 -17.772 -0.034 1.00 0.00 C ATOM 525 CG ASP A 35 8.452 -19.040 0.499 1.00 0.00 C ATOM 526 OD1 ASP A 35 7.243 -19.009 0.811 1.00 0.00 O ATOM 527 OD2 ASP A 35 9.161 -20.062 0.605 1.00 0.00 O ATOM 0 H ASP A 35 10.242 -16.597 -1.875 1.00 0.00 H new ATOM 0 HA ASP A 35 7.892 -18.021 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.121 -17.980 -0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.123 -17.024 0.759 1.00 0.00 H new ATOM 532 N GLU A 36 7.596 -15.079 -0.326 1.00 0.00 N ATOM 533 CA GLU A 36 6.626 -14.103 0.156 1.00 0.00 C ATOM 534 C GLU A 36 5.712 -13.640 -0.975 1.00 0.00 C ATOM 535 O GLU A 36 4.488 -13.679 -0.855 1.00 0.00 O ATOM 536 CB GLU A 36 7.342 -12.901 0.774 1.00 0.00 C ATOM 537 CG GLU A 36 8.203 -13.256 1.975 1.00 0.00 C ATOM 538 CD GLU A 36 7.399 -13.371 3.255 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.338 -14.029 3.233 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.831 -12.802 4.279 1.00 0.00 O ATOM 0 H GLU A 36 8.565 -14.761 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 36 6.015 -14.583 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.968 -12.432 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.599 -12.162 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.714 -14.200 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.974 -12.496 2.102 1.00 0.00 H new ATOM 547 N PHE A 37 6.317 -13.200 -2.073 1.00 0.00 N ATOM 548 CA PHE A 37 5.560 -12.727 -3.226 1.00 0.00 C ATOM 549 C PHE A 37 4.446 -13.706 -3.584 1.00 0.00 C ATOM 550 O PHE A 37 3.361 -13.302 -4.002 1.00 0.00 O ATOM 551 CB PHE A 37 6.487 -12.531 -4.427 1.00 0.00 C ATOM 552 CG PHE A 37 7.079 -11.153 -4.509 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.425 -10.143 -5.196 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.290 -10.867 -3.899 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.968 -8.875 -5.273 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.838 -9.600 -3.972 1.00 0.00 C ATOM 557 CZ PHE A 37 8.175 -8.603 -4.660 1.00 0.00 C ATOM 0 H PHE A 37 7.330 -13.161 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 37 5.109 -11.770 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.294 -13.262 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.931 -12.734 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.480 -10.349 -5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.812 -11.644 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.449 -8.097 -5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.783 -9.390 -3.492 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.600 -7.612 -4.719 1.00 0.00 H new ATOM 567 N GLU A 38 4.723 -14.995 -3.417 1.00 0.00 N ATOM 568 CA GLU A 38 3.745 -16.033 -3.724 1.00 0.00 C ATOM 569 C GLU A 38 2.475 -15.844 -2.898 1.00 0.00 C ATOM 570 O GLU A 38 1.365 -15.939 -3.420 1.00 0.00 O ATOM 571 CB GLU A 38 4.337 -17.418 -3.459 1.00 0.00 C ATOM 572 CG GLU A 38 5.067 -18.007 -4.654 1.00 0.00 C ATOM 573 CD GLU A 38 4.128 -18.388 -5.782 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.134 -19.095 -5.513 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.387 -17.979 -6.933 1.00 0.00 O ATOM 0 H GLU A 38 5.616 -15.346 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 38 3.487 -15.953 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.027 -17.354 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.536 -18.096 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.796 -17.285 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.624 -18.889 -4.336 1.00 0.00 H new ATOM 582 N GLN A 39 2.649 -15.576 -1.608 1.00 0.00 N ATOM 583 CA GLN A 39 1.518 -15.376 -0.711 1.00 0.00 C ATOM 584 C GLN A 39 0.519 -14.389 -1.306 1.00 0.00 C ATOM 585 O GLN A 39 -0.683 -14.655 -1.350 1.00 0.00 O ATOM 586 CB GLN A 39 2.002 -14.872 0.650 1.00 0.00 C ATOM 587 CG GLN A 39 3.055 -15.763 1.289 1.00 0.00 C ATOM 588 CD GLN A 39 2.513 -17.126 1.671 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.954 -17.840 0.839 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.675 -17.494 2.937 1.00 0.00 N ATOM 0 H GLN A 39 3.562 -15.492 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 39 1.018 -16.335 -0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.410 -13.868 0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.148 -14.792 1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.888 -15.888 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.450 -15.271 2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.145 -16.870 3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.330 -18.400 3.253 1.00 0.00 H new ATOM 599 N LEU A 40 1.023 -13.248 -1.763 1.00 0.00 N ATOM 600 CA LEU A 40 0.175 -12.220 -2.356 1.00 0.00 C ATOM 601 C LEU A 40 -0.362 -12.671 -3.710 1.00 0.00 C ATOM 602 O LEU A 40 -1.530 -12.451 -4.030 1.00 0.00 O ATOM 603 CB LEU A 40 0.957 -10.914 -2.514 1.00 0.00 C ATOM 604 CG LEU A 40 1.474 -10.280 -1.221 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.732 -9.469 -1.490 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.399 -9.408 -0.589 1.00 0.00 C ATOM 0 H LEU A 40 2.015 -13.011 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.670 -12.052 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.808 -11.100 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.318 -10.190 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 40 1.724 -11.078 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.085 -9.026 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.505 -10.121 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.509 -8.678 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.784 -8.965 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.118 -8.617 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.475 -10.017 -0.360 1.00 0.00 H new ATOM 618 N SER A 41 0.498 -13.306 -4.500 1.00 0.00 N ATOM 619 CA SER A 41 0.110 -13.787 -5.821 1.00 0.00 C ATOM 620 C SER A 41 -1.041 -14.784 -5.720 1.00 0.00 C ATOM 621 O SER A 41 -1.871 -14.883 -6.622 1.00 0.00 O ATOM 622 CB SER A 41 1.304 -14.439 -6.520 1.00 0.00 C ATOM 623 OG SER A 41 1.366 -15.827 -6.237 1.00 0.00 O ATOM 0 H SER A 41 1.467 -13.499 -4.248 1.00 0.00 H new ATOM 0 HA SER A 41 -0.224 -12.932 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.226 -14.287 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.226 -13.957 -6.196 1.00 0.00 H new ATOM 0 HG SER A 41 1.372 -15.963 -5.267 1.00 0.00 H new ATOM 629 N ASN A 42 -1.082 -15.520 -4.614 1.00 0.00 N ATOM 630 CA ASN A 42 -2.130 -16.510 -4.393 1.00 0.00 C ATOM 631 C ASN A 42 -3.392 -15.852 -3.844 1.00 0.00 C ATOM 632 O ASN A 42 -4.509 -16.275 -4.148 1.00 0.00 O ATOM 633 CB ASN A 42 -1.643 -17.592 -3.427 1.00 0.00 C ATOM 634 CG ASN A 42 -0.907 -18.712 -4.137 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.517 -19.537 -4.817 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.411 -18.745 -3.981 1.00 0.00 N ATOM 0 H ASN A 42 -0.402 -15.450 -3.857 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.369 -16.970 -5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.985 -17.142 -2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.496 -18.005 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.960 -19.475 -4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.875 -18.040 -3.408 1.00 0.00 H new ATOM 643 N LEU A 43 -3.208 -14.816 -3.033 1.00 0.00 N ATOM 644 CA LEU A 43 -4.332 -14.099 -2.440 1.00 0.00 C ATOM 645 C LEU A 43 -5.065 -13.272 -3.492 1.00 0.00 C ATOM 646 O LEU A 43 -6.261 -13.457 -3.720 1.00 0.00 O ATOM 647 CB LEU A 43 -3.844 -13.191 -1.310 1.00 0.00 C ATOM 648 CG LEU A 43 -4.796 -12.070 -0.891 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.115 -12.646 -0.400 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.157 -11.202 0.184 1.00 0.00 C ATOM 0 H LEU A 43 -2.291 -14.454 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.026 -14.834 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.637 -13.810 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.898 -12.743 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.998 -11.446 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.780 -11.834 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.579 -13.224 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.932 -13.294 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.848 -10.409 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.926 -11.814 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.239 -10.760 -0.203 1.00 0.00 H new ATOM 662 N LEU A 44 -4.340 -12.360 -4.130 1.00 0.00 N ATOM 663 CA LEU A 44 -4.920 -11.505 -5.160 1.00 0.00 C ATOM 664 C LEU A 44 -5.105 -12.273 -6.465 1.00 0.00 C ATOM 665 O LEU A 44 -5.793 -11.813 -7.375 1.00 0.00 O ATOM 666 CB LEU A 44 -4.032 -10.282 -5.396 1.00 0.00 C ATOM 667 CG LEU A 44 -3.652 -9.479 -4.152 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.543 -8.488 -4.474 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.868 -8.757 -3.590 1.00 0.00 C ATOM 0 H LEU A 44 -3.349 -12.193 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.899 -11.174 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.115 -10.612 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.542 -9.616 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.284 -10.172 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.286 -7.925 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.665 -9.027 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.883 -7.800 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.578 -8.191 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.267 -8.076 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.632 -9.486 -3.320 1.00 0.00 H new ATOM 681 N ASN A 45 -4.486 -13.447 -6.547 1.00 0.00 N ATOM 682 CA ASN A 45 -4.584 -14.280 -7.741 1.00 0.00 C ATOM 683 C ASN A 45 -3.901 -13.610 -8.929 1.00 0.00 C ATOM 684 O ASN A 45 -4.287 -13.820 -10.080 1.00 0.00 O ATOM 685 CB ASN A 45 -6.051 -14.561 -8.073 1.00 0.00 C ATOM 686 CG ASN A 45 -6.232 -15.862 -8.831 1.00 0.00 C ATOM 687 OD1 ASN A 45 -5.446 -16.797 -8.680 1.00 0.00 O ATOM 688 ND2 ASN A 45 -7.273 -15.927 -9.653 1.00 0.00 N ATOM 0 H ASN A 45 -3.912 -13.842 -5.802 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.077 -15.224 -7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.629 -14.598 -7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.451 -13.739 -8.667 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.446 -16.777 -10.190 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.899 -15.127 -9.747 1.00 0.00 H new ATOM 695 N LEU A 46 -2.885 -12.804 -8.643 1.00 0.00 N ATOM 696 CA LEU A 46 -2.147 -12.103 -9.688 1.00 0.00 C ATOM 697 C LEU A 46 -0.744 -12.682 -9.846 1.00 0.00 C ATOM 698 O LEU A 46 -0.167 -13.237 -8.911 1.00 0.00 O ATOM 699 CB LEU A 46 -2.062 -10.610 -9.366 1.00 0.00 C ATOM 700 CG LEU A 46 -3.395 -9.869 -9.258 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.199 -8.509 -8.608 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.034 -9.719 -10.631 1.00 0.00 C ATOM 0 H LEU A 46 -2.553 -12.619 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.683 -12.236 -10.628 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.526 -10.492 -8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.462 -10.126 -10.137 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.065 -10.456 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.159 -7.997 -8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.786 -8.640 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.512 -7.914 -9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.982 -9.189 -10.535 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.367 -9.155 -11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.211 -10.705 -11.060 1.00 0.00 H new ATOM 714 N PRO A 47 -0.182 -12.548 -11.056 1.00 0.00 N ATOM 715 CA PRO A 47 1.161 -13.049 -11.364 1.00 0.00 C ATOM 716 C PRO A 47 2.253 -12.251 -10.660 1.00 0.00 C ATOM 717 O PRO A 47 2.277 -11.021 -10.723 1.00 0.00 O ATOM 718 CB PRO A 47 1.265 -12.875 -12.881 1.00 0.00 C ATOM 719 CG PRO A 47 0.316 -11.772 -13.202 1.00 0.00 C ATOM 720 CD PRO A 47 -0.813 -11.897 -12.216 1.00 0.00 C ATOM 0 HA PRO A 47 1.299 -14.077 -11.029 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.282 -12.622 -13.182 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.997 -13.793 -13.404 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.803 -10.801 -13.116 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.049 -11.856 -14.226 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.228 -10.923 -11.954 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.632 -12.495 -12.616 1.00 0.00 H new ATOM 728 N THR A 48 3.157 -12.958 -9.989 1.00 0.00 N ATOM 729 CA THR A 48 4.252 -12.315 -9.272 1.00 0.00 C ATOM 730 C THR A 48 4.880 -11.206 -10.108 1.00 0.00 C ATOM 731 O THR A 48 5.188 -10.129 -9.597 1.00 0.00 O ATOM 732 CB THR A 48 5.343 -13.331 -8.885 1.00 0.00 C ATOM 733 OG1 THR A 48 5.467 -14.329 -9.904 1.00 0.00 O ATOM 734 CG2 THR A 48 5.017 -13.995 -7.555 1.00 0.00 C ATOM 0 H THR A 48 3.153 -13.976 -9.927 1.00 0.00 H new ATOM 0 HA THR A 48 3.827 -11.886 -8.365 1.00 0.00 H new ATOM 0 HB THR A 48 6.287 -12.796 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.164 -14.970 -9.651 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.802 -14.708 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.952 -13.236 -6.776 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.063 -14.517 -7.633 1.00 0.00 H new ATOM 742 N ARG A 49 5.067 -11.476 -11.396 1.00 0.00 N ATOM 743 CA ARG A 49 5.660 -10.500 -12.302 1.00 0.00 C ATOM 744 C ARG A 49 4.947 -9.155 -12.194 1.00 0.00 C ATOM 745 O ARG A 49 5.575 -8.099 -12.281 1.00 0.00 O ATOM 746 CB ARG A 49 5.597 -11.007 -13.744 1.00 0.00 C ATOM 747 CG ARG A 49 4.226 -10.859 -14.383 1.00 0.00 C ATOM 748 CD ARG A 49 4.089 -9.527 -15.104 1.00 0.00 C ATOM 749 NE ARG A 49 5.031 -9.406 -16.214 1.00 0.00 N ATOM 750 CZ ARG A 49 4.969 -8.443 -17.128 1.00 0.00 C ATOM 751 NH1 ARG A 49 4.017 -7.523 -17.064 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.863 -8.400 -18.108 1.00 0.00 N ATOM 0 H ARG A 49 4.817 -12.362 -11.835 1.00 0.00 H new ATOM 0 HA ARG A 49 6.703 -10.364 -12.017 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.328 -10.464 -14.343 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.886 -12.058 -13.764 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.062 -11.674 -15.088 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.455 -10.940 -13.617 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.071 -9.421 -15.479 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.255 -8.714 -14.398 1.00 0.00 H new ATOM 0 HE ARG A 49 5.776 -10.098 -16.292 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.329 -7.553 -16.312 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.972 -6.785 -17.767 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.597 -9.106 -18.160 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.816 -7.661 -18.810 1.00 0.00 H new ATOM 766 N VAL A 50 3.632 -9.201 -12.004 1.00 0.00 N ATOM 767 CA VAL A 50 2.834 -7.986 -11.883 1.00 0.00 C ATOM 768 C VAL A 50 3.047 -7.321 -10.528 1.00 0.00 C ATOM 769 O VAL A 50 3.103 -6.095 -10.429 1.00 0.00 O ATOM 770 CB VAL A 50 1.334 -8.280 -12.068 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.493 -7.162 -11.472 1.00 0.00 C ATOM 772 CG2 VAL A 50 1.008 -8.476 -13.541 1.00 0.00 C ATOM 0 H VAL A 50 3.097 -10.066 -11.931 1.00 0.00 H new ATOM 0 HA VAL A 50 3.165 -7.310 -12.672 1.00 0.00 H new ATOM 0 HB VAL A 50 1.095 -9.203 -11.540 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.564 -7.387 -11.612 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.707 -7.074 -10.407 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.733 -6.222 -11.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.056 -8.683 -13.654 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.262 -7.571 -14.093 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.584 -9.314 -13.933 1.00 0.00 H new ATOM 782 N ILE A 51 3.166 -8.138 -9.487 1.00 0.00 N ATOM 783 CA ILE A 51 3.375 -7.629 -8.137 1.00 0.00 C ATOM 784 C ILE A 51 4.780 -7.057 -7.976 1.00 0.00 C ATOM 785 O ILE A 51 4.992 -6.104 -7.226 1.00 0.00 O ATOM 786 CB ILE A 51 3.156 -8.728 -7.081 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.849 -9.474 -7.352 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.148 -8.125 -5.683 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.677 -10.719 -6.510 1.00 0.00 C ATOM 0 H ILE A 51 3.121 -9.155 -9.552 1.00 0.00 H new ATOM 0 HA ILE A 51 2.643 -6.836 -7.982 1.00 0.00 H new ATOM 0 HB ILE A 51 3.978 -9.441 -7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.011 -8.802 -7.167 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.809 -9.750 -8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.992 -8.914 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.103 -7.635 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.343 -7.394 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.728 -11.196 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.495 -11.411 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.684 -10.448 -5.454 1.00 0.00 H new ATOM 801 N VAL A 52 5.737 -7.644 -8.688 1.00 0.00 N ATOM 802 CA VAL A 52 7.121 -7.192 -8.627 1.00 0.00 C ATOM 803 C VAL A 52 7.269 -5.793 -9.215 1.00 0.00 C ATOM 804 O VAL A 52 7.803 -4.890 -8.570 1.00 0.00 O ATOM 805 CB VAL A 52 8.060 -8.154 -9.378 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.443 -7.541 -9.531 1.00 0.00 C ATOM 807 CG2 VAL A 52 8.138 -9.492 -8.658 1.00 0.00 C ATOM 0 H VAL A 52 5.579 -8.434 -9.314 1.00 0.00 H new ATOM 0 HA VAL A 52 7.401 -7.172 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 52 7.653 -8.326 -10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.092 -8.236 -10.064 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.368 -6.610 -10.093 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.862 -7.337 -8.545 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.806 -10.160 -9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.520 -9.340 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.144 -9.936 -8.607 1.00 0.00 H new ATOM 817 N VAL A 53 6.791 -5.620 -10.443 1.00 0.00 N ATOM 818 CA VAL A 53 6.868 -4.330 -11.119 1.00 0.00 C ATOM 819 C VAL A 53 6.228 -3.231 -10.279 1.00 0.00 C ATOM 820 O VAL A 53 6.741 -2.114 -10.205 1.00 0.00 O ATOM 821 CB VAL A 53 6.180 -4.376 -12.496 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.219 -3.008 -13.158 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.832 -5.426 -13.383 1.00 0.00 C ATOM 0 H VAL A 53 6.346 -6.357 -10.990 1.00 0.00 H new ATOM 0 HA VAL A 53 7.926 -4.108 -11.258 1.00 0.00 H new ATOM 0 HB VAL A 53 5.136 -4.654 -12.352 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.728 -3.060 -14.130 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.701 -2.284 -12.528 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.255 -2.698 -13.291 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.333 -5.445 -14.352 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.885 -5.182 -13.522 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.746 -6.405 -12.912 1.00 0.00 H new ATOM 833 N TRP A 54 5.106 -3.555 -9.647 1.00 0.00 N ATOM 834 CA TRP A 54 4.395 -2.594 -8.811 1.00 0.00 C ATOM 835 C TRP A 54 5.210 -2.244 -7.571 1.00 0.00 C ATOM 836 O TRP A 54 5.320 -1.076 -7.198 1.00 0.00 O ATOM 837 CB TRP A 54 3.032 -3.154 -8.400 1.00 0.00 C ATOM 838 CG TRP A 54 2.212 -2.192 -7.595 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.153 -1.451 -8.034 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.387 -1.866 -6.212 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.658 -0.684 -7.007 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.397 -0.921 -5.879 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.281 -2.283 -5.222 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.280 -0.386 -4.598 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.163 -1.751 -3.952 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.169 -0.812 -3.649 1.00 0.00 C ATOM 0 H TRP A 54 4.669 -4.475 -9.697 1.00 0.00 H new ATOM 0 HA TRP A 54 4.245 -1.685 -9.393 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.477 -3.432 -9.296 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.181 -4.066 -7.821 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.762 -1.465 -9.041 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.132 -0.042 -7.074 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.050 -3.008 -5.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.515 0.339 -4.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.849 -2.065 -3.180 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.103 -0.416 -2.646 1.00 0.00 H new ATOM 857 N PHE A 55 5.778 -3.263 -6.935 1.00 0.00 N ATOM 858 CA PHE A 55 6.583 -3.063 -5.735 1.00 0.00 C ATOM 859 C PHE A 55 7.851 -2.277 -6.056 1.00 0.00 C ATOM 860 O PHE A 55 8.248 -1.387 -5.304 1.00 0.00 O ATOM 861 CB PHE A 55 6.949 -4.410 -5.110 1.00 0.00 C ATOM 862 CG PHE A 55 5.963 -4.880 -4.079 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.645 -5.130 -4.425 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.354 -5.071 -2.763 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.735 -5.563 -3.478 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.449 -5.504 -1.813 1.00 0.00 C ATOM 867 CZ PHE A 55 4.137 -5.749 -2.171 1.00 0.00 C ATOM 0 H PHE A 55 5.696 -4.236 -7.230 1.00 0.00 H new ATOM 0 HA PHE A 55 5.991 -2.489 -5.022 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.023 -5.159 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.934 -4.332 -4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.325 -4.985 -5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.378 -4.879 -2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.711 -5.755 -3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.767 -5.651 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.428 -6.085 -1.429 1.00 0.00 H new ATOM 877 N GLN A 56 8.481 -2.613 -7.177 1.00 0.00 N ATOM 878 CA GLN A 56 9.704 -1.941 -7.596 1.00 0.00 C ATOM 879 C GLN A 56 9.489 -0.434 -7.702 1.00 0.00 C ATOM 880 O GLN A 56 10.217 0.350 -7.096 1.00 0.00 O ATOM 881 CB GLN A 56 10.181 -2.495 -8.940 1.00 0.00 C ATOM 882 CG GLN A 56 10.969 -3.789 -8.820 1.00 0.00 C ATOM 883 CD GLN A 56 11.987 -3.958 -9.929 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.307 -3.008 -10.645 1.00 0.00 O ATOM 885 NE2 GLN A 56 12.504 -5.172 -10.079 1.00 0.00 N ATOM 0 H GLN A 56 8.164 -3.347 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 56 10.468 -2.129 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.316 -2.664 -9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.801 -1.746 -9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.480 -3.811 -7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.279 -4.633 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.211 -5.931 -9.464 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.194 -5.346 -10.809 1.00 0.00 H new ATOM 894 N ASN A 57 8.483 -0.038 -8.475 1.00 0.00 N ATOM 895 CA ASN A 57 8.172 1.375 -8.660 1.00 0.00 C ATOM 896 C ASN A 57 7.799 2.028 -7.333 1.00 0.00 C ATOM 897 O ASN A 57 8.355 3.060 -6.960 1.00 0.00 O ATOM 898 CB ASN A 57 7.028 1.539 -9.662 1.00 0.00 C ATOM 899 CG ASN A 57 7.477 1.319 -11.094 1.00 0.00 C ATOM 900 OD1 ASN A 57 8.132 2.175 -11.689 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.125 0.168 -11.654 1.00 0.00 N ATOM 0 H ASN A 57 7.870 -0.675 -8.983 1.00 0.00 H new ATOM 0 HA ASN A 57 9.061 1.870 -9.050 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.233 0.833 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.605 2.539 -9.566 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.398 -0.036 -12.615 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.582 -0.512 -11.123 1.00 0.00 H new ATOM 908 N ALA A 58 6.854 1.419 -6.625 1.00 0.00 N ATOM 909 CA ALA A 58 6.408 1.939 -5.338 1.00 0.00 C ATOM 910 C ALA A 58 7.589 2.423 -4.503 1.00 0.00 C ATOM 911 O ALA A 58 7.476 3.396 -3.757 1.00 0.00 O ATOM 912 CB ALA A 58 5.625 0.876 -4.582 1.00 0.00 C ATOM 0 H ALA A 58 6.382 0.565 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 58 5.755 2.791 -5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.298 1.278 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.754 0.580 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.261 0.007 -4.413 1.00 0.00 H new ATOM 918 N ARG A 59 8.720 1.738 -4.633 1.00 0.00 N ATOM 919 CA ARG A 59 9.921 2.098 -3.888 1.00 0.00 C ATOM 920 C ARG A 59 10.544 3.375 -4.445 1.00 0.00 C ATOM 921 O ARG A 59 10.939 4.263 -3.691 1.00 0.00 O ATOM 922 CB ARG A 59 10.939 0.957 -3.939 1.00 0.00 C ATOM 923 CG ARG A 59 10.558 -0.237 -3.079 1.00 0.00 C ATOM 924 CD ARG A 59 11.767 -1.103 -2.762 1.00 0.00 C ATOM 925 NE ARG A 59 12.380 -1.650 -3.970 1.00 0.00 N ATOM 926 CZ ARG A 59 11.953 -2.751 -4.578 1.00 0.00 C ATOM 927 NH1 ARG A 59 10.916 -3.419 -4.093 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.564 -3.185 -5.673 1.00 0.00 N ATOM 0 H ARG A 59 8.830 0.931 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 59 9.636 2.276 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.053 0.629 -4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.910 1.332 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.105 0.111 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.807 -0.834 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.503 -0.512 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.466 -1.920 -2.106 1.00 0.00 H new ATOM 0 HE ARG A 59 13.180 -1.159 -4.369 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.444 -3.088 -3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.590 -4.264 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.362 -2.673 -6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.235 -4.031 -6.139 1.00 0.00 H new