USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 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 0 THR N :NH3+ -140:sc= 0.0294 (180deg=-0.0344) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 1 MET CE :methyl -115:sc= -0.118 (180deg=-2.14!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 140:sc= 0.406 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 36 SER OG : rot 97:sc= 0.524 USER MOD Single : A 41 TYR OH : rot -30:sc= -0.222 USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= -0.318 (180deg=-1.26!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -117:sc= 0.693 (180deg=-0.114) USER MOD Single : A 63 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.011) USER MOD Single : A 69 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-0.23) USER MOD Single : A 73 MET CE :methyl -115:sc= -2.97! (180deg=-4.22!) USER MOD Single : A 75 THR OG1 : rot 160:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 3.264 -7.517 -13.257 1.00 0.00 N ATOM 181 CA THR A 0 3.404 -6.214 -13.897 1.00 0.00 C ATOM 182 C THR A 0 4.873 -5.782 -13.838 1.00 0.00 C ATOM 183 O THR A 0 5.548 -5.981 -12.816 1.00 0.00 O ATOM 184 CB THR A 0 2.483 -5.165 -13.177 1.00 0.00 C ATOM 185 OG1 THR A 0 2.730 -5.180 -11.756 1.00 0.00 O ATOM 186 CG2 THR A 0 0.982 -5.421 -13.434 1.00 0.00 C ATOM 0 H1 THR A 0 2.599 -8.102 -13.802 1.00 0.00 H new ATOM 0 H2 THR A 0 4.191 -7.988 -13.221 1.00 0.00 H new ATOM 0 H3 THR A 0 2.902 -7.392 -12.290 1.00 0.00 H new ATOM 0 HA THR A 0 3.096 -6.277 -14.941 1.00 0.00 H new ATOM 0 HB THR A 0 2.731 -4.189 -13.594 1.00 0.00 H new ATOM 0 HG1 THR A 0 2.152 -4.522 -11.317 1.00 0.00 H new ATOM 0 HG21 THR A 0 0.390 -4.668 -12.914 1.00 0.00 H new ATOM 0 HG22 THR A 0 0.781 -5.365 -14.504 1.00 0.00 H new ATOM 0 HG23 THR A 0 0.714 -6.411 -13.066 1.00 0.00 H new ATOM 194 N MET A 1 5.352 -5.155 -14.922 1.00 0.00 N ATOM 195 CA MET A 1 6.734 -4.678 -15.036 1.00 0.00 C ATOM 196 C MET A 1 6.767 -3.153 -15.097 1.00 0.00 C ATOM 197 O MET A 1 5.808 -2.508 -15.547 1.00 0.00 O ATOM 198 CB MET A 1 7.449 -5.328 -16.252 1.00 0.00 C ATOM 199 CG MET A 1 6.828 -5.106 -17.631 1.00 0.00 C ATOM 200 SD MET A 1 7.067 -3.448 -18.288 1.00 0.00 S ATOM 201 CE MET A 1 6.451 -3.663 -19.955 1.00 0.00 C ATOM 0 H MET A 1 4.786 -4.964 -15.749 1.00 0.00 H new ATOM 0 HA MET A 1 7.284 -4.983 -14.146 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.473 -4.956 -16.279 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.505 -6.402 -16.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.254 -5.826 -18.329 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.759 -5.311 -17.573 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.267 -3.526 -20.665 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.039 -4.666 -20.064 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.671 -2.927 -20.152 1.00 0.00 H new ATOM 211 N GLU A 2 7.872 -2.584 -14.619 1.00 0.00 N ATOM 212 CA GLU A 2 8.025 -1.140 -14.469 1.00 0.00 C ATOM 213 C GLU A 2 9.092 -0.634 -15.439 1.00 0.00 C ATOM 214 O GLU A 2 10.133 -1.263 -15.600 1.00 0.00 O ATOM 215 CB GLU A 2 8.404 -0.811 -13.009 1.00 0.00 C ATOM 216 CG GLU A 2 8.152 0.645 -12.597 1.00 0.00 C ATOM 217 CD GLU A 2 8.619 0.929 -11.163 1.00 0.00 C ATOM 218 OE1 GLU A 2 9.826 1.202 -10.963 1.00 0.00 O ATOM 219 OE2 GLU A 2 7.793 0.849 -10.227 1.00 0.00 O ATOM 0 H GLU A 2 8.691 -3.116 -14.323 1.00 0.00 H new ATOM 0 HA GLU A 2 7.084 -0.641 -14.702 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.840 -1.466 -12.345 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.460 -1.039 -12.861 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.672 1.311 -13.286 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.088 0.866 -12.682 1.00 0.00 H new ATOM 226 N LEU A 3 8.821 0.509 -16.076 1.00 0.00 N ATOM 227 CA LEU A 3 9.702 1.105 -17.096 1.00 0.00 C ATOM 228 C LEU A 3 10.065 2.543 -16.696 1.00 0.00 C ATOM 229 O LEU A 3 9.260 3.225 -16.062 1.00 0.00 O ATOM 230 CB LEU A 3 8.963 1.133 -18.454 1.00 0.00 C ATOM 231 CG LEU A 3 8.327 -0.210 -18.926 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.207 0.047 -19.954 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.401 -1.161 -19.502 1.00 0.00 C ATOM 0 H LEU A 3 7.978 1.055 -15.900 1.00 0.00 H new ATOM 0 HA LEU A 3 10.611 0.509 -17.177 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.174 1.883 -18.398 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.666 1.465 -19.218 1.00 0.00 H new ATOM 0 HG LEU A 3 7.883 -0.697 -18.057 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.778 -0.904 -20.269 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.431 0.663 -19.500 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.620 0.564 -20.820 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.930 -2.090 -19.823 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.887 -0.687 -20.354 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.144 -1.378 -18.735 1.00 0.00 H new ATOM 245 N GLU A 4 11.267 3.003 -17.089 1.00 0.00 N ATOM 246 CA GLU A 4 11.634 4.423 -17.005 1.00 0.00 C ATOM 247 C GLU A 4 11.217 5.113 -18.311 1.00 0.00 C ATOM 248 O GLU A 4 11.822 4.882 -19.362 1.00 0.00 O ATOM 249 CB GLU A 4 13.158 4.615 -16.763 1.00 0.00 C ATOM 250 CG GLU A 4 13.577 6.099 -16.634 1.00 0.00 C ATOM 251 CD GLU A 4 15.091 6.325 -16.445 1.00 0.00 C ATOM 252 OE1 GLU A 4 15.885 5.838 -17.278 1.00 0.00 O ATOM 253 OE2 GLU A 4 15.488 7.027 -15.489 1.00 0.00 O ATOM 0 H GLU A 4 12.002 2.406 -17.469 1.00 0.00 H new ATOM 0 HA GLU A 4 11.116 4.868 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.444 4.084 -15.855 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.709 4.160 -17.586 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.252 6.634 -17.527 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.049 6.540 -15.788 1.00 0.00 H new ATOM 260 N LEU A 5 10.151 5.922 -18.244 1.00 0.00 N ATOM 261 CA LEU A 5 9.647 6.667 -19.404 1.00 0.00 C ATOM 262 C LEU A 5 10.181 8.092 -19.340 1.00 0.00 C ATOM 263 O LEU A 5 9.823 8.861 -18.447 1.00 0.00 O ATOM 264 CB LEU A 5 8.108 6.648 -19.439 1.00 0.00 C ATOM 265 CG LEU A 5 7.442 5.249 -19.299 1.00 0.00 C ATOM 266 CD1 LEU A 5 5.923 5.367 -19.430 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.012 4.221 -20.306 1.00 0.00 C ATOM 0 H LEU A 5 9.617 6.077 -17.389 1.00 0.00 H new ATOM 0 HA LEU A 5 9.994 6.195 -20.323 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.738 7.287 -18.637 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.780 7.093 -20.378 1.00 0.00 H new ATOM 0 HG LEU A 5 7.679 4.873 -18.304 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.471 4.380 -19.330 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.540 6.022 -18.648 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.673 5.783 -20.406 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.514 3.261 -20.167 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.841 4.575 -21.323 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.082 4.102 -20.138 1.00 0.00 H new ATOM 279 N ARG A 6 11.049 8.426 -20.290 1.00 0.00 N ATOM 280 CA ARG A 6 11.822 9.660 -20.281 1.00 0.00 C ATOM 281 C ARG A 6 11.228 10.636 -21.298 1.00 0.00 C ATOM 282 O ARG A 6 11.187 10.341 -22.485 1.00 0.00 O ATOM 283 CB ARG A 6 13.319 9.364 -20.587 1.00 0.00 C ATOM 284 CG ARG A 6 13.883 8.099 -19.899 1.00 0.00 C ATOM 285 CD ARG A 6 15.417 8.049 -19.899 1.00 0.00 C ATOM 286 NE ARG A 6 15.981 8.983 -18.906 1.00 0.00 N ATOM 287 CZ ARG A 6 17.259 9.378 -18.840 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.136 9.026 -19.773 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.653 10.134 -17.833 1.00 0.00 N ATOM 0 H ARG A 6 11.237 7.836 -21.100 1.00 0.00 H new ATOM 0 HA ARG A 6 11.773 10.115 -19.292 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.441 9.259 -21.665 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.915 10.224 -20.281 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.524 8.061 -18.871 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.496 7.214 -20.405 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.750 7.035 -19.679 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.792 8.299 -20.892 1.00 0.00 H new ATOM 0 HE ARG A 6 15.341 9.361 -18.208 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.840 8.445 -20.557 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.105 9.337 -19.705 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.986 10.413 -17.113 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.624 10.440 -17.774 1.00 0.00 H new ATOM 303 N PHE A 7 10.756 11.782 -20.819 1.00 0.00 N ATOM 304 CA PHE A 7 10.087 12.806 -21.644 1.00 0.00 C ATOM 305 C PHE A 7 11.020 13.978 -21.840 1.00 0.00 C ATOM 306 O PHE A 7 11.701 14.384 -20.904 1.00 0.00 O ATOM 307 CB PHE A 7 8.771 13.245 -20.968 1.00 0.00 C ATOM 308 CG PHE A 7 7.790 12.097 -20.810 1.00 0.00 C ATOM 309 CD1 PHE A 7 7.852 11.263 -19.702 1.00 0.00 C ATOM 310 CD2 PHE A 7 6.835 11.822 -21.788 1.00 0.00 C ATOM 311 CE1 PHE A 7 6.989 10.203 -19.576 1.00 0.00 C ATOM 312 CE2 PHE A 7 5.974 10.754 -21.656 1.00 0.00 C ATOM 313 CZ PHE A 7 6.056 9.941 -20.550 1.00 0.00 C ATOM 0 H PHE A 7 10.824 12.038 -19.834 1.00 0.00 H new ATOM 0 HA PHE A 7 9.841 12.393 -22.622 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.993 13.667 -19.988 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.309 14.036 -21.559 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.586 11.450 -18.932 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.769 12.455 -22.661 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.044 9.569 -18.703 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.236 10.556 -22.420 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.388 9.098 -20.447 1.00 0.00 H new ATOM 323 N PHE A 8 11.088 14.501 -23.072 1.00 0.00 N ATOM 324 CA PHE A 8 11.978 15.625 -23.414 1.00 0.00 C ATOM 325 C PHE A 8 11.207 16.685 -24.203 1.00 0.00 C ATOM 326 O PHE A 8 10.108 16.418 -24.709 1.00 0.00 O ATOM 327 CB PHE A 8 13.233 15.124 -24.175 1.00 0.00 C ATOM 328 CG PHE A 8 13.995 14.045 -23.403 1.00 0.00 C ATOM 329 CD1 PHE A 8 14.722 14.363 -22.252 1.00 0.00 C ATOM 330 CD2 PHE A 8 13.951 12.714 -23.801 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.357 13.378 -21.521 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.594 11.735 -23.080 1.00 0.00 C ATOM 333 CZ PHE A 8 15.301 12.063 -21.937 1.00 0.00 C ATOM 0 H PHE A 8 10.532 14.161 -23.857 1.00 0.00 H new ATOM 0 HA PHE A 8 12.332 16.091 -22.495 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.932 14.728 -25.145 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.898 15.966 -24.367 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.788 15.392 -21.930 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.403 12.444 -24.691 1.00 0.00 H new ATOM 0 HE1 PHE A 8 15.898 13.637 -20.623 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.547 10.707 -23.407 1.00 0.00 H new ATOM 0 HZ PHE A 8 15.807 11.294 -21.373 1.00 0.00 H new ATOM 343 N ALA A 9 11.776 17.902 -24.217 1.00 0.00 N ATOM 344 CA ALA A 9 11.245 19.068 -24.930 1.00 0.00 C ATOM 345 C ALA A 9 9.815 19.465 -24.440 1.00 0.00 C ATOM 346 O ALA A 9 9.651 19.791 -23.255 1.00 0.00 O ATOM 347 CB ALA A 9 11.358 18.847 -26.442 1.00 0.00 C ATOM 0 H ALA A 9 12.642 18.104 -23.718 1.00 0.00 H new ATOM 0 HA ALA A 9 11.854 19.940 -24.692 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.962 19.716 -26.967 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.405 18.706 -26.712 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.788 17.962 -26.724 1.00 0.00 H new ATOM 353 N THR A 10 8.788 19.410 -25.334 1.00 0.00 N ATOM 354 CA THR A 10 7.386 19.729 -24.991 1.00 0.00 C ATOM 355 C THR A 10 6.798 18.648 -24.069 1.00 0.00 C ATOM 356 O THR A 10 6.229 18.957 -23.029 1.00 0.00 O ATOM 357 CB THR A 10 6.502 19.841 -26.281 1.00 0.00 C ATOM 358 OG1 THR A 10 7.076 20.795 -27.188 1.00 0.00 O ATOM 359 CG2 THR A 10 5.044 20.238 -25.968 1.00 0.00 C ATOM 0 H THR A 10 8.916 19.143 -26.310 1.00 0.00 H new ATOM 0 HA THR A 10 7.383 20.689 -24.475 1.00 0.00 H new ATOM 0 HB THR A 10 6.480 18.852 -26.739 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.519 20.858 -27.992 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.477 20.301 -26.897 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.594 19.487 -25.318 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.030 21.206 -25.468 1.00 0.00 H new ATOM 367 N PHE A 11 7.002 17.366 -24.445 1.00 0.00 N ATOM 368 CA PHE A 11 6.448 16.206 -23.699 1.00 0.00 C ATOM 369 C PHE A 11 6.957 16.185 -22.237 1.00 0.00 C ATOM 370 O PHE A 11 6.299 15.626 -21.353 1.00 0.00 O ATOM 371 CB PHE A 11 6.805 14.864 -24.416 1.00 0.00 C ATOM 372 CG PHE A 11 6.091 14.579 -25.755 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.146 15.453 -26.303 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.355 13.395 -26.450 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.501 15.145 -27.490 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.712 13.098 -27.640 1.00 0.00 C ATOM 377 CZ PHE A 11 4.784 13.969 -28.157 1.00 0.00 C ATOM 0 H PHE A 11 7.549 17.104 -25.265 1.00 0.00 H new ATOM 0 HA PHE A 11 5.363 16.313 -23.680 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.880 14.850 -24.595 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.585 14.044 -23.732 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.917 16.378 -25.795 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.076 12.697 -26.050 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.771 15.830 -27.897 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.940 12.181 -28.162 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.277 13.735 -29.082 1.00 0.00 H new ATOM 387 N ARG A 12 8.126 16.818 -22.006 1.00 0.00 N ATOM 388 CA ARG A 12 8.758 16.909 -20.680 1.00 0.00 C ATOM 389 C ARG A 12 7.939 17.800 -19.731 1.00 0.00 C ATOM 390 O ARG A 12 7.649 17.407 -18.598 1.00 0.00 O ATOM 391 CB ARG A 12 10.210 17.443 -20.808 1.00 0.00 C ATOM 392 CG ARG A 12 11.120 17.248 -19.553 1.00 0.00 C ATOM 393 CD ARG A 12 11.526 18.541 -18.826 1.00 0.00 C ATOM 394 NE ARG A 12 10.400 19.177 -18.118 1.00 0.00 N ATOM 395 CZ ARG A 12 10.195 20.497 -18.020 1.00 0.00 C ATOM 396 NH1 ARG A 12 10.918 21.353 -18.723 1.00 0.00 N ATOM 397 NH2 ARG A 12 9.237 20.956 -17.239 1.00 0.00 N ATOM 0 H ARG A 12 8.659 17.282 -22.742 1.00 0.00 H new ATOM 0 HA ARG A 12 8.789 15.906 -20.254 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.684 16.951 -21.657 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.166 18.507 -21.040 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.601 16.601 -18.846 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.025 16.724 -19.859 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.318 18.317 -18.112 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.938 19.245 -19.549 1.00 0.00 H new ATOM 0 HE ARG A 12 9.723 18.562 -17.667 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.645 21.011 -19.352 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.749 22.355 -18.636 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.654 20.306 -16.711 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.079 21.961 -17.163 1.00 0.00 H new ATOM 411 N GLU A 13 7.587 19.018 -20.205 1.00 0.00 N ATOM 412 CA GLU A 13 6.845 20.012 -19.393 1.00 0.00 C ATOM 413 C GLU A 13 5.358 19.639 -19.228 1.00 0.00 C ATOM 414 O GLU A 13 4.665 20.179 -18.352 1.00 0.00 O ATOM 415 CB GLU A 13 7.059 21.460 -19.955 1.00 0.00 C ATOM 416 CG GLU A 13 6.654 21.709 -21.432 1.00 0.00 C ATOM 417 CD GLU A 13 5.145 21.948 -21.648 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.665 23.058 -21.340 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.437 21.046 -22.122 1.00 0.00 O ATOM 0 H GLU A 13 7.806 19.337 -21.149 1.00 0.00 H new ATOM 0 HA GLU A 13 7.258 19.998 -18.384 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.498 22.153 -19.328 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.113 21.714 -19.845 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.203 22.573 -21.806 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.963 20.852 -22.030 1.00 0.00 H new ATOM 426 N VAL A 14 4.877 18.726 -20.087 1.00 0.00 N ATOM 427 CA VAL A 14 3.546 18.109 -19.944 1.00 0.00 C ATOM 428 C VAL A 14 3.492 17.249 -18.664 1.00 0.00 C ATOM 429 O VAL A 14 2.611 17.411 -17.810 1.00 0.00 O ATOM 430 CB VAL A 14 3.190 17.218 -21.189 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.871 16.460 -20.962 1.00 0.00 C ATOM 432 CG2 VAL A 14 3.137 18.045 -22.495 1.00 0.00 C ATOM 0 H VAL A 14 5.398 18.394 -20.899 1.00 0.00 H new ATOM 0 HA VAL A 14 2.814 18.914 -19.876 1.00 0.00 H new ATOM 0 HB VAL A 14 3.990 16.486 -21.304 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.646 15.851 -21.837 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.967 15.817 -20.087 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.064 17.175 -20.800 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.888 17.390 -23.330 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.378 18.821 -22.403 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.108 18.507 -22.673 1.00 0.00 H new ATOM 442 N VAL A 15 4.467 16.346 -18.563 1.00 0.00 N ATOM 443 CA VAL A 15 4.605 15.405 -17.438 1.00 0.00 C ATOM 444 C VAL A 15 5.233 16.113 -16.206 1.00 0.00 C ATOM 445 O VAL A 15 5.125 15.636 -15.067 1.00 0.00 O ATOM 446 CB VAL A 15 5.442 14.154 -17.914 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.627 13.103 -16.795 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.773 13.512 -19.162 1.00 0.00 C ATOM 0 H VAL A 15 5.197 16.241 -19.268 1.00 0.00 H new ATOM 0 HA VAL A 15 3.624 15.052 -17.120 1.00 0.00 H new ATOM 0 HB VAL A 15 6.438 14.510 -18.178 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.209 12.264 -17.176 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.151 13.556 -15.953 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.651 12.747 -16.465 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.356 12.650 -19.484 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.762 13.192 -18.909 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.731 14.244 -19.969 1.00 0.00 H new ATOM 458 N GLY A 16 5.850 17.287 -16.458 1.00 0.00 N ATOM 459 CA GLY A 16 6.471 18.111 -15.416 1.00 0.00 C ATOM 460 C GLY A 16 7.841 17.605 -14.980 1.00 0.00 C ATOM 461 O GLY A 16 8.398 18.093 -13.993 1.00 0.00 O ATOM 0 H GLY A 16 5.928 17.685 -17.394 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.569 19.133 -15.782 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.812 18.145 -14.549 1.00 0.00 H new ATOM 465 N GLN A 17 8.391 16.648 -15.753 1.00 0.00 N ATOM 466 CA GLN A 17 9.669 15.976 -15.445 1.00 0.00 C ATOM 467 C GLN A 17 10.165 15.163 -16.655 1.00 0.00 C ATOM 468 O GLN A 17 9.376 14.802 -17.542 1.00 0.00 O ATOM 469 CB GLN A 17 9.543 15.077 -14.182 1.00 0.00 C ATOM 470 CG GLN A 17 8.365 14.088 -14.196 1.00 0.00 C ATOM 471 CD GLN A 17 8.274 13.220 -12.933 1.00 0.00 C ATOM 472 OE1 GLN A 17 7.178 12.878 -12.482 1.00 0.00 O ATOM 473 NE2 GLN A 17 9.411 12.804 -12.393 1.00 0.00 N ATOM 0 H GLN A 17 7.958 16.317 -16.615 1.00 0.00 H new ATOM 0 HA GLN A 17 10.409 16.747 -15.229 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.468 14.513 -14.063 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.447 15.719 -13.307 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.435 14.645 -14.311 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.457 13.439 -15.067 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.303 13.103 -12.788 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.394 12.184 -11.583 1.00 0.00 H new ATOM 482 N LYS A 18 11.490 14.881 -16.666 1.00 0.00 N ATOM 483 CA LYS A 18 12.192 14.293 -17.829 1.00 0.00 C ATOM 484 C LYS A 18 12.312 12.769 -17.762 1.00 0.00 C ATOM 485 O LYS A 18 12.749 12.161 -18.735 1.00 0.00 O ATOM 486 CB LYS A 18 13.590 14.946 -18.005 1.00 0.00 C ATOM 487 CG LYS A 18 14.576 14.697 -16.847 1.00 0.00 C ATOM 488 CD LYS A 18 15.837 15.578 -16.951 1.00 0.00 C ATOM 489 CE LYS A 18 16.827 15.339 -15.801 1.00 0.00 C ATOM 490 NZ LYS A 18 17.979 16.275 -15.860 1.00 0.00 N ATOM 0 H LYS A 18 12.101 15.055 -15.868 1.00 0.00 H new ATOM 0 HA LYS A 18 11.577 14.510 -18.702 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.035 14.573 -18.928 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.459 16.021 -18.126 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.076 14.893 -15.899 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.869 13.647 -16.842 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.335 15.381 -17.900 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.542 16.627 -16.958 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.312 15.457 -14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.191 14.312 -15.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.624 16.082 -15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.486 16.145 -16.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.634 17.254 -15.795 1.00 0.00 H new ATOM 504 N SER A 19 11.966 12.161 -16.618 1.00 0.00 N ATOM 505 CA SER A 19 11.877 10.686 -16.481 1.00 0.00 C ATOM 506 C SER A 19 10.856 10.339 -15.379 1.00 0.00 C ATOM 507 O SER A 19 10.768 11.053 -14.369 1.00 0.00 O ATOM 508 CB SER A 19 13.252 10.042 -16.121 1.00 0.00 C ATOM 509 OG SER A 19 14.326 10.553 -16.904 1.00 0.00 O ATOM 0 H SER A 19 11.740 12.667 -15.762 1.00 0.00 H new ATOM 0 HA SER A 19 11.562 10.284 -17.444 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.464 10.216 -15.066 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.189 8.963 -16.260 1.00 0.00 H new ATOM 0 HG SER A 19 15.116 10.672 -16.337 1.00 0.00 H new ATOM 515 N ILE A 20 10.091 9.252 -15.589 1.00 0.00 N ATOM 516 CA ILE A 20 9.140 8.698 -14.597 1.00 0.00 C ATOM 517 C ILE A 20 9.313 7.177 -14.531 1.00 0.00 C ATOM 518 O ILE A 20 10.087 6.605 -15.303 1.00 0.00 O ATOM 519 CB ILE A 20 7.634 9.035 -14.944 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.173 8.332 -16.255 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.420 10.552 -15.052 1.00 0.00 C ATOM 522 CD1 ILE A 20 5.767 8.701 -16.711 1.00 0.00 C ATOM 0 H ILE A 20 10.113 8.724 -16.462 1.00 0.00 H new ATOM 0 HA ILE A 20 9.364 9.159 -13.635 1.00 0.00 H new ATOM 0 HB ILE A 20 7.024 8.653 -14.126 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.876 8.579 -17.051 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.222 7.253 -16.110 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.376 10.756 -15.291 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.674 11.024 -14.103 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.058 10.954 -15.839 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.530 8.165 -17.630 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.050 8.428 -15.937 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.713 9.774 -16.892 1.00 0.00 H new ATOM 534 N TYR A 21 8.584 6.527 -13.615 1.00 0.00 N ATOM 535 CA TYR A 21 8.517 5.060 -13.538 1.00 0.00 C ATOM 536 C TYR A 21 7.049 4.620 -13.587 1.00 0.00 C ATOM 537 O TYR A 21 6.276 4.904 -12.672 1.00 0.00 O ATOM 538 CB TYR A 21 9.236 4.533 -12.269 1.00 0.00 C ATOM 539 CG TYR A 21 10.756 4.777 -12.283 1.00 0.00 C ATOM 540 CD1 TYR A 21 11.589 4.079 -13.172 1.00 0.00 C ATOM 541 CD2 TYR A 21 11.359 5.706 -11.431 1.00 0.00 C ATOM 542 CE1 TYR A 21 12.948 4.298 -13.196 1.00 0.00 C ATOM 543 CE2 TYR A 21 12.724 5.925 -11.461 1.00 0.00 C ATOM 544 CZ TYR A 21 13.511 5.217 -12.345 1.00 0.00 C ATOM 545 OH TYR A 21 14.867 5.443 -12.381 1.00 0.00 O ATOM 0 H TYR A 21 8.024 7.002 -12.907 1.00 0.00 H new ATOM 0 HA TYR A 21 9.039 4.628 -14.392 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.806 5.014 -11.390 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.048 3.464 -12.171 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.156 3.358 -13.849 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.748 6.263 -10.736 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.572 3.747 -13.884 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.172 6.648 -10.795 1.00 0.00 H new ATOM 0 HH TYR A 21 15.103 6.123 -11.716 1.00 0.00 H new ATOM 555 N TRP A 22 6.678 3.944 -14.677 1.00 0.00 N ATOM 556 CA TRP A 22 5.304 3.478 -14.938 1.00 0.00 C ATOM 557 C TRP A 22 5.207 1.986 -14.695 1.00 0.00 C ATOM 558 O TRP A 22 6.059 1.229 -15.159 1.00 0.00 O ATOM 559 CB TRP A 22 4.909 3.783 -16.415 1.00 0.00 C ATOM 560 CG TRP A 22 3.894 4.874 -16.585 1.00 0.00 C ATOM 561 CD1 TRP A 22 3.822 6.060 -15.920 1.00 0.00 C ATOM 562 CD2 TRP A 22 2.815 4.866 -17.510 1.00 0.00 C ATOM 563 NE1 TRP A 22 2.777 6.800 -16.399 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.135 6.083 -17.372 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.363 3.935 -18.441 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.028 6.402 -18.147 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.266 4.245 -19.202 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.608 5.473 -19.049 1.00 0.00 C ATOM 0 H TRP A 22 7.332 3.698 -15.420 1.00 0.00 H new ATOM 0 HA TRP A 22 4.625 4.001 -14.264 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.808 4.054 -16.968 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.520 2.871 -16.867 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.491 6.370 -15.131 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.518 7.734 -16.083 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.867 2.987 -18.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.521 7.349 -18.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.904 3.533 -19.929 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.254 5.688 -19.663 1.00 0.00 H new ATOM 579 N ARG A 23 4.143 1.564 -14.020 1.00 0.00 N ATOM 580 CA ARG A 23 3.849 0.148 -13.833 1.00 0.00 C ATOM 581 C ARG A 23 2.706 -0.260 -14.769 1.00 0.00 C ATOM 582 O ARG A 23 1.544 0.106 -14.559 1.00 0.00 O ATOM 583 CB ARG A 23 3.488 -0.128 -12.360 1.00 0.00 C ATOM 584 CG ARG A 23 3.384 -1.626 -12.012 1.00 0.00 C ATOM 585 CD ARG A 23 4.732 -2.352 -12.088 1.00 0.00 C ATOM 586 NE ARG A 23 5.702 -1.835 -11.102 1.00 0.00 N ATOM 587 CZ ARG A 23 6.568 -2.585 -10.411 1.00 0.00 C ATOM 588 NH1 ARG A 23 6.611 -3.902 -10.582 1.00 0.00 N ATOM 589 NH2 ARG A 23 7.409 -2.006 -9.571 1.00 0.00 N ATOM 0 H ARG A 23 3.463 2.191 -13.589 1.00 0.00 H new ATOM 0 HA ARG A 23 4.729 -0.447 -14.078 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.240 0.332 -11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.537 0.355 -12.133 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.976 -1.733 -11.007 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.681 -2.104 -12.694 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.578 -3.418 -11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.144 -2.244 -13.091 1.00 0.00 H new ATOM 0 HE ARG A 23 5.713 -0.829 -10.935 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.980 -4.351 -11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.275 -4.464 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.395 -0.993 -9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.072 -2.572 -9.041 1.00 0.00 H new ATOM 603 N VAL A 24 3.073 -0.993 -15.818 1.00 0.00 N ATOM 604 CA VAL A 24 2.138 -1.644 -16.749 1.00 0.00 C ATOM 605 C VAL A 24 2.347 -3.168 -16.655 1.00 0.00 C ATOM 606 O VAL A 24 3.237 -3.627 -15.938 1.00 0.00 O ATOM 607 CB VAL A 24 2.352 -1.142 -18.233 1.00 0.00 C ATOM 608 CG1 VAL A 24 1.865 0.320 -18.420 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.833 -1.293 -18.667 1.00 0.00 C ATOM 0 H VAL A 24 4.051 -1.158 -16.055 1.00 0.00 H new ATOM 0 HA VAL A 24 1.116 -1.386 -16.473 1.00 0.00 H new ATOM 0 HB VAL A 24 1.744 -1.775 -18.879 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.029 0.629 -19.452 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.802 0.382 -18.187 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.422 0.977 -17.752 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.950 -0.940 -19.692 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.468 -0.704 -18.006 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.124 -2.342 -18.609 1.00 0.00 H new ATOM 619 N ASP A 25 1.526 -3.948 -17.364 1.00 0.00 N ATOM 620 CA ASP A 25 1.671 -5.423 -17.416 1.00 0.00 C ATOM 621 C ASP A 25 2.886 -5.825 -18.285 1.00 0.00 C ATOM 622 O ASP A 25 3.408 -5.009 -19.052 1.00 0.00 O ATOM 623 CB ASP A 25 0.367 -6.064 -17.948 1.00 0.00 C ATOM 624 CG ASP A 25 0.008 -5.587 -19.362 1.00 0.00 C ATOM 625 OD1 ASP A 25 -0.558 -4.484 -19.495 1.00 0.00 O ATOM 626 OD2 ASP A 25 0.306 -6.303 -20.334 1.00 0.00 O ATOM 0 H ASP A 25 0.747 -3.589 -17.916 1.00 0.00 H new ATOM 0 HA ASP A 25 1.851 -5.794 -16.407 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.475 -7.149 -17.951 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.453 -5.827 -17.270 1.00 0.00 H new ATOM 631 N ASP A 26 3.326 -7.092 -18.162 1.00 0.00 N ATOM 632 CA ASP A 26 4.559 -7.581 -18.823 1.00 0.00 C ATOM 633 C ASP A 26 4.357 -7.852 -20.334 1.00 0.00 C ATOM 634 O ASP A 26 5.334 -7.964 -21.088 1.00 0.00 O ATOM 635 CB ASP A 26 5.100 -8.835 -18.088 1.00 0.00 C ATOM 636 CG ASP A 26 6.495 -9.279 -18.582 1.00 0.00 C ATOM 637 OD1 ASP A 26 7.467 -8.500 -18.438 1.00 0.00 O ATOM 638 OD2 ASP A 26 6.630 -10.398 -19.121 1.00 0.00 O ATOM 0 H ASP A 26 2.845 -7.801 -17.609 1.00 0.00 H new ATOM 0 HA ASP A 26 5.304 -6.788 -18.755 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.150 -8.628 -17.019 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.397 -9.657 -18.221 1.00 0.00 H new ATOM 643 N ASP A 27 3.090 -7.931 -20.774 1.00 0.00 N ATOM 644 CA ASP A 27 2.744 -8.090 -22.207 1.00 0.00 C ATOM 645 C ASP A 27 2.789 -6.720 -22.927 1.00 0.00 C ATOM 646 O ASP A 27 3.013 -6.655 -24.147 1.00 0.00 O ATOM 647 CB ASP A 27 1.339 -8.752 -22.345 1.00 0.00 C ATOM 648 CG ASP A 27 0.846 -8.893 -23.804 1.00 0.00 C ATOM 649 OD1 ASP A 27 1.385 -9.745 -24.544 1.00 0.00 O ATOM 650 OD2 ASP A 27 -0.090 -8.162 -24.213 1.00 0.00 O ATOM 0 H ASP A 27 2.279 -7.887 -20.157 1.00 0.00 H new ATOM 0 HA ASP A 27 3.478 -8.742 -22.681 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.369 -9.740 -21.886 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.615 -8.162 -21.784 1.00 0.00 H new ATOM 655 N ALA A 28 2.611 -5.630 -22.147 1.00 0.00 N ATOM 656 CA ALA A 28 2.610 -4.245 -22.656 1.00 0.00 C ATOM 657 C ALA A 28 3.983 -3.856 -23.233 1.00 0.00 C ATOM 658 O ALA A 28 5.025 -4.243 -22.699 1.00 0.00 O ATOM 659 CB ALA A 28 2.195 -3.279 -21.540 1.00 0.00 C ATOM 0 H ALA A 28 2.463 -5.690 -21.140 1.00 0.00 H new ATOM 0 HA ALA A 28 1.886 -4.180 -23.468 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.197 -2.258 -21.923 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.194 -3.534 -21.191 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.899 -3.357 -20.711 1.00 0.00 H new ATOM 665 N THR A 29 3.960 -3.104 -24.347 1.00 0.00 N ATOM 666 CA THR A 29 5.162 -2.642 -25.068 1.00 0.00 C ATOM 667 C THR A 29 5.083 -1.105 -25.289 1.00 0.00 C ATOM 668 O THR A 29 4.159 -0.468 -24.776 1.00 0.00 O ATOM 669 CB THR A 29 5.321 -3.394 -26.430 1.00 0.00 C ATOM 670 OG1 THR A 29 4.193 -3.123 -27.267 1.00 0.00 O ATOM 671 CG2 THR A 29 5.442 -4.913 -26.248 1.00 0.00 C ATOM 0 H THR A 29 3.090 -2.794 -24.781 1.00 0.00 H new ATOM 0 HA THR A 29 6.041 -2.866 -24.464 1.00 0.00 H new ATOM 0 HB THR A 29 6.241 -3.032 -26.889 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.454 -2.500 -27.977 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.550 -5.389 -27.223 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.315 -5.138 -25.636 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.547 -5.293 -25.756 1.00 0.00 H new ATOM 679 N VAL A 30 6.061 -0.522 -26.047 1.00 0.00 N ATOM 680 CA VAL A 30 6.170 0.953 -26.282 1.00 0.00 C ATOM 681 C VAL A 30 4.837 1.563 -26.791 1.00 0.00 C ATOM 682 O VAL A 30 4.489 2.687 -26.425 1.00 0.00 O ATOM 683 CB VAL A 30 7.354 1.306 -27.271 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.428 2.830 -27.585 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.708 0.812 -26.711 1.00 0.00 C ATOM 0 H VAL A 30 6.793 -1.059 -26.511 1.00 0.00 H new ATOM 0 HA VAL A 30 6.393 1.401 -25.314 1.00 0.00 H new ATOM 0 HB VAL A 30 7.146 0.787 -28.207 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.256 3.021 -28.267 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.495 3.152 -28.048 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.585 3.385 -26.660 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.505 1.067 -27.409 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.901 1.290 -25.750 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.674 -0.269 -26.578 1.00 0.00 H new ATOM 695 N GLY A 31 4.081 0.774 -27.573 1.00 0.00 N ATOM 696 CA GLY A 31 2.753 1.179 -28.041 1.00 0.00 C ATOM 697 C GLY A 31 1.734 1.299 -26.914 1.00 0.00 C ATOM 698 O GLY A 31 1.068 2.334 -26.783 1.00 0.00 O ATOM 0 H GLY A 31 4.372 -0.150 -27.893 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.832 2.137 -28.555 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.395 0.454 -28.771 1.00 0.00 H new ATOM 702 N ASP A 32 1.650 0.247 -26.075 1.00 0.00 N ATOM 703 CA ASP A 32 0.728 0.207 -24.912 1.00 0.00 C ATOM 704 C ASP A 32 1.044 1.320 -23.902 1.00 0.00 C ATOM 705 O ASP A 32 0.154 1.803 -23.196 1.00 0.00 O ATOM 706 CB ASP A 32 0.766 -1.162 -24.202 1.00 0.00 C ATOM 707 CG ASP A 32 0.345 -2.311 -25.120 1.00 0.00 C ATOM 708 OD1 ASP A 32 -0.870 -2.540 -25.285 1.00 0.00 O ATOM 709 OD2 ASP A 32 1.228 -2.970 -25.704 1.00 0.00 O ATOM 0 H ASP A 32 2.214 -0.596 -26.180 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.275 0.367 -25.306 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.774 -1.348 -23.832 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.108 -1.135 -23.334 1.00 0.00 H new ATOM 714 N VAL A 33 2.324 1.697 -23.857 1.00 0.00 N ATOM 715 CA VAL A 33 2.826 2.821 -23.064 1.00 0.00 C ATOM 716 C VAL A 33 2.176 4.143 -23.526 1.00 0.00 C ATOM 717 O VAL A 33 1.422 4.756 -22.764 1.00 0.00 O ATOM 718 CB VAL A 33 4.405 2.864 -23.179 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.023 4.197 -22.706 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.035 1.669 -22.421 1.00 0.00 C ATOM 0 H VAL A 33 3.056 1.219 -24.382 1.00 0.00 H new ATOM 0 HA VAL A 33 2.558 2.688 -22.016 1.00 0.00 H new ATOM 0 HB VAL A 33 4.637 2.785 -24.241 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.107 4.154 -22.813 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.631 5.015 -23.310 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.769 4.365 -21.659 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.120 1.713 -22.510 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.755 1.717 -21.369 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.674 0.735 -22.850 1.00 0.00 H new ATOM 730 N LEU A 34 2.380 4.522 -24.807 1.00 0.00 N ATOM 731 CA LEU A 34 1.990 5.862 -25.306 1.00 0.00 C ATOM 732 C LEU A 34 0.461 6.016 -25.497 1.00 0.00 C ATOM 733 O LEU A 34 -0.071 7.108 -25.285 1.00 0.00 O ATOM 734 CB LEU A 34 2.830 6.281 -26.564 1.00 0.00 C ATOM 735 CG LEU A 34 3.049 5.232 -27.709 1.00 0.00 C ATOM 736 CD1 LEU A 34 1.803 5.037 -28.588 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.284 5.600 -28.571 1.00 0.00 C ATOM 0 H LEU A 34 2.810 3.923 -25.512 1.00 0.00 H new ATOM 0 HA LEU A 34 2.242 6.578 -24.523 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.351 7.155 -27.005 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.813 6.598 -26.214 1.00 0.00 H new ATOM 0 HG LEU A 34 3.237 4.276 -27.221 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.016 4.300 -29.362 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.974 4.688 -27.972 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.534 5.985 -29.054 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.413 4.857 -29.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.134 6.582 -29.021 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.174 5.621 -27.942 1.00 0.00 H new ATOM 749 N ARG A 35 -0.266 4.922 -25.836 1.00 0.00 N ATOM 750 CA ARG A 35 -1.750 4.990 -25.956 1.00 0.00 C ATOM 751 C ARG A 35 -2.411 5.240 -24.580 1.00 0.00 C ATOM 752 O ARG A 35 -3.487 5.838 -24.488 1.00 0.00 O ATOM 753 CB ARG A 35 -2.348 3.739 -26.694 1.00 0.00 C ATOM 754 CG ARG A 35 -2.036 2.333 -26.122 1.00 0.00 C ATOM 755 CD ARG A 35 -2.950 1.885 -24.967 1.00 0.00 C ATOM 756 NE ARG A 35 -2.710 0.473 -24.606 1.00 0.00 N ATOM 757 CZ ARG A 35 -3.145 -0.129 -23.493 1.00 0.00 C ATOM 758 NH1 ARG A 35 -3.815 0.546 -22.562 1.00 0.00 N ATOM 759 NH2 ARG A 35 -2.891 -1.412 -23.307 1.00 0.00 N ATOM 0 H ARG A 35 0.135 4.004 -26.027 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.986 5.847 -26.586 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.432 3.855 -26.721 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.999 3.763 -27.726 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.111 1.604 -26.929 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.003 2.319 -25.775 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.777 2.519 -24.097 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.993 2.016 -25.255 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.167 -0.091 -25.260 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.005 1.540 -22.690 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.138 0.069 -21.720 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.367 -1.935 -24.009 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.219 -1.879 -22.462 1.00 0.00 H new ATOM 773 N SER A 36 -1.772 4.720 -23.523 1.00 0.00 N ATOM 774 CA SER A 36 -2.144 5.000 -22.129 1.00 0.00 C ATOM 775 C SER A 36 -1.669 6.402 -21.662 1.00 0.00 C ATOM 776 O SER A 36 -2.329 7.030 -20.829 1.00 0.00 O ATOM 777 CB SER A 36 -1.612 3.887 -21.220 1.00 0.00 C ATOM 778 OG SER A 36 -2.126 2.625 -21.610 1.00 0.00 O ATOM 0 H SER A 36 -0.976 4.088 -23.612 1.00 0.00 H new ATOM 0 HA SER A 36 -3.232 5.016 -22.064 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.523 3.869 -21.261 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.889 4.093 -20.186 1.00 0.00 H new ATOM 0 HG SER A 36 -1.473 2.168 -22.181 1.00 0.00 H new ATOM 784 N LEU A 37 -0.493 6.863 -22.166 1.00 0.00 N ATOM 785 CA LEU A 37 0.121 8.161 -21.744 1.00 0.00 C ATOM 786 C LEU A 37 -0.806 9.355 -22.035 1.00 0.00 C ATOM 787 O LEU A 37 -0.855 10.299 -21.250 1.00 0.00 O ATOM 788 CB LEU A 37 1.531 8.400 -22.407 1.00 0.00 C ATOM 789 CG LEU A 37 2.782 8.281 -21.474 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.611 9.088 -20.169 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.135 6.827 -21.182 1.00 0.00 C ATOM 0 H LEU A 37 0.052 6.358 -22.865 1.00 0.00 H new ATOM 0 HA LEU A 37 0.264 8.088 -20.666 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.647 7.687 -23.223 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.533 9.395 -22.851 1.00 0.00 H new ATOM 0 HG LEU A 37 3.619 8.719 -22.018 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.503 8.976 -19.553 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.465 10.141 -20.409 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.744 8.717 -19.623 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.009 6.788 -20.531 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.294 6.340 -20.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.356 6.311 -22.117 1.00 0.00 H new ATOM 803 N GLU A 38 -1.496 9.316 -23.187 1.00 0.00 N ATOM 804 CA GLU A 38 -2.497 10.343 -23.548 1.00 0.00 C ATOM 805 C GLU A 38 -3.737 10.275 -22.640 1.00 0.00 C ATOM 806 O GLU A 38 -4.305 11.313 -22.280 1.00 0.00 O ATOM 807 CB GLU A 38 -2.917 10.225 -25.035 1.00 0.00 C ATOM 808 CG GLU A 38 -3.287 8.807 -25.511 1.00 0.00 C ATOM 809 CD GLU A 38 -4.041 8.773 -26.851 1.00 0.00 C ATOM 810 OE1 GLU A 38 -3.551 9.358 -27.844 1.00 0.00 O ATOM 811 OE2 GLU A 38 -5.133 8.167 -26.922 1.00 0.00 O ATOM 0 H GLU A 38 -1.381 8.584 -23.888 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.021 11.312 -23.399 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.771 10.881 -25.206 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.101 10.596 -25.655 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.375 8.217 -25.604 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.901 8.328 -24.748 1.00 0.00 H new ATOM 818 N ALA A 39 -4.138 9.046 -22.279 1.00 0.00 N ATOM 819 CA ALA A 39 -5.308 8.791 -21.410 1.00 0.00 C ATOM 820 C ALA A 39 -5.123 9.424 -20.014 1.00 0.00 C ATOM 821 O ALA A 39 -6.094 9.794 -19.342 1.00 0.00 O ATOM 822 CB ALA A 39 -5.531 7.280 -21.298 1.00 0.00 C ATOM 0 H ALA A 39 -3.662 8.196 -22.580 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.187 9.255 -21.858 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.392 7.086 -20.659 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.714 6.865 -22.289 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.646 6.813 -20.866 1.00 0.00 H new ATOM 828 N GLU A 40 -3.856 9.533 -19.593 1.00 0.00 N ATOM 829 CA GLU A 40 -3.468 10.240 -18.368 1.00 0.00 C ATOM 830 C GLU A 40 -3.361 11.743 -18.641 1.00 0.00 C ATOM 831 O GLU A 40 -4.048 12.567 -18.022 1.00 0.00 O ATOM 832 CB GLU A 40 -2.093 9.727 -17.893 1.00 0.00 C ATOM 833 CG GLU A 40 -2.030 8.236 -17.592 1.00 0.00 C ATOM 834 CD GLU A 40 -2.885 7.804 -16.388 1.00 0.00 C ATOM 835 OE1 GLU A 40 -2.517 8.137 -15.237 1.00 0.00 O ATOM 836 OE2 GLU A 40 -3.920 7.127 -16.577 1.00 0.00 O ATOM 0 H GLU A 40 -3.067 9.130 -20.098 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.223 10.059 -17.603 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.352 9.959 -18.658 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.808 10.276 -16.995 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.356 7.684 -18.473 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.993 7.957 -17.407 1.00 0.00 H new ATOM 843 N TYR A 41 -2.477 12.073 -19.594 1.00 0.00 N ATOM 844 CA TYR A 41 -2.039 13.438 -19.861 1.00 0.00 C ATOM 845 C TYR A 41 -2.778 14.020 -21.069 1.00 0.00 C ATOM 846 O TYR A 41 -2.585 13.565 -22.204 1.00 0.00 O ATOM 847 CB TYR A 41 -0.508 13.481 -20.091 1.00 0.00 C ATOM 848 CG TYR A 41 0.309 13.162 -18.831 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.615 14.163 -17.907 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.768 11.869 -18.561 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.347 13.894 -16.772 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.506 11.596 -17.418 1.00 0.00 C ATOM 853 CZ TYR A 41 1.793 12.614 -16.527 1.00 0.00 C ATOM 854 OH TYR A 41 2.526 12.360 -15.387 1.00 0.00 O ATOM 0 H TYR A 41 -2.043 11.383 -20.207 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.276 14.048 -18.990 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.246 12.770 -20.874 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.231 14.471 -20.454 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.270 15.171 -18.086 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.545 11.070 -19.253 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.571 14.687 -16.074 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.855 10.592 -17.225 1.00 0.00 H new ATOM 0 HH TYR A 41 3.033 13.161 -15.138 1.00 0.00 H new ATOM 864 N ASP A 42 -3.623 15.026 -20.806 1.00 0.00 N ATOM 865 CA ASP A 42 -4.312 15.810 -21.853 1.00 0.00 C ATOM 866 C ASP A 42 -3.287 16.527 -22.755 1.00 0.00 C ATOM 867 O ASP A 42 -3.521 16.720 -23.950 1.00 0.00 O ATOM 868 CB ASP A 42 -5.258 16.852 -21.212 1.00 0.00 C ATOM 869 CG ASP A 42 -6.342 16.227 -20.318 1.00 0.00 C ATOM 870 OD1 ASP A 42 -6.036 15.881 -19.153 1.00 0.00 O ATOM 871 OD2 ASP A 42 -7.502 16.095 -20.766 1.00 0.00 O ATOM 0 H ASP A 42 -3.852 15.324 -19.858 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.899 15.122 -22.461 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.668 17.551 -20.619 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.738 17.430 -22.002 1.00 0.00 H new ATOM 876 N GLY A 43 -2.136 16.891 -22.149 1.00 0.00 N ATOM 877 CA GLY A 43 -1.020 17.514 -22.861 1.00 0.00 C ATOM 878 C GLY A 43 -0.239 16.554 -23.757 1.00 0.00 C ATOM 879 O GLY A 43 0.682 16.986 -24.446 1.00 0.00 O ATOM 0 H GLY A 43 -1.963 16.757 -21.153 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.403 18.332 -23.470 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.337 17.951 -22.133 1.00 0.00 H new ATOM 883 N LEU A 44 -0.559 15.243 -23.701 1.00 0.00 N ATOM 884 CA LEU A 44 0.033 14.223 -24.593 1.00 0.00 C ATOM 885 C LEU A 44 -1.023 13.639 -25.545 1.00 0.00 C ATOM 886 O LEU A 44 -0.692 12.782 -26.348 1.00 0.00 O ATOM 887 CB LEU A 44 0.681 13.072 -23.775 1.00 0.00 C ATOM 888 CG LEU A 44 1.960 13.418 -22.958 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.513 12.188 -22.217 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.040 14.061 -23.846 1.00 0.00 C ATOM 0 H LEU A 44 -1.234 14.863 -23.037 1.00 0.00 H new ATOM 0 HA LEU A 44 0.805 14.719 -25.181 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.068 12.684 -23.084 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.927 12.264 -24.464 1.00 0.00 H new ATOM 0 HG LEU A 44 1.669 14.151 -22.205 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.405 12.470 -21.659 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.758 11.809 -21.528 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.767 11.412 -22.939 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.919 14.289 -23.243 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.316 13.369 -24.642 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.651 14.981 -24.283 1.00 0.00 H new ATOM 902 N ALA A 45 -2.269 14.137 -25.483 1.00 0.00 N ATOM 903 CA ALA A 45 -3.407 13.545 -26.222 1.00 0.00 C ATOM 904 C ALA A 45 -3.251 13.673 -27.755 1.00 0.00 C ATOM 905 O ALA A 45 -3.110 14.786 -28.268 1.00 0.00 O ATOM 906 CB ALA A 45 -4.707 14.205 -25.759 1.00 0.00 C ATOM 0 H ALA A 45 -2.519 14.954 -24.926 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.430 12.478 -26.001 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.548 13.772 -26.301 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.839 14.038 -24.690 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.661 15.276 -25.956 1.00 0.00 H new ATOM 912 N GLY A 46 -3.238 12.512 -28.461 1.00 0.00 N ATOM 913 CA GLY A 46 -3.244 12.455 -29.940 1.00 0.00 C ATOM 914 C GLY A 46 -1.874 12.685 -30.604 1.00 0.00 C ATOM 915 O GLY A 46 -1.596 12.141 -31.685 1.00 0.00 O ATOM 0 H GLY A 46 -3.223 11.593 -28.018 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.622 11.481 -30.250 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.943 13.203 -30.315 1.00 0.00 H new ATOM 919 N ARG A 47 -1.009 13.458 -29.932 1.00 0.00 N ATOM 920 CA ARG A 47 0.305 13.920 -30.456 1.00 0.00 C ATOM 921 C ARG A 47 1.426 12.864 -30.275 1.00 0.00 C ATOM 922 O ARG A 47 2.600 13.153 -30.532 1.00 0.00 O ATOM 923 CB ARG A 47 0.691 15.256 -29.751 1.00 0.00 C ATOM 924 CG ARG A 47 0.578 15.198 -28.217 1.00 0.00 C ATOM 925 CD ARG A 47 0.909 16.519 -27.497 1.00 0.00 C ATOM 926 NE ARG A 47 0.232 17.700 -28.068 1.00 0.00 N ATOM 927 CZ ARG A 47 0.145 18.910 -27.481 1.00 0.00 C ATOM 928 NH1 ARG A 47 0.698 19.144 -26.288 1.00 0.00 N ATOM 929 NH2 ARG A 47 -0.498 19.890 -28.097 1.00 0.00 N ATOM 0 H ARG A 47 -1.198 13.792 -28.987 1.00 0.00 H new ATOM 0 HA ARG A 47 0.203 14.077 -31.530 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.714 15.518 -30.022 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.048 16.053 -30.124 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.436 14.900 -27.952 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.246 14.421 -27.846 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.633 16.427 -26.447 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.987 16.679 -27.531 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.206 17.591 -28.983 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.198 18.399 -25.803 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.620 20.068 -25.862 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.923 19.726 -29.010 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.568 20.808 -27.659 1.00 0.00 H new ATOM 943 N LEU A 48 1.049 11.640 -29.867 1.00 0.00 N ATOM 944 CA LEU A 48 1.994 10.524 -29.611 1.00 0.00 C ATOM 945 C LEU A 48 1.510 9.224 -30.291 1.00 0.00 C ATOM 946 O LEU A 48 2.056 8.149 -30.035 1.00 0.00 O ATOM 947 CB LEU A 48 2.192 10.331 -28.068 1.00 0.00 C ATOM 948 CG LEU A 48 1.055 9.655 -27.214 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.294 9.890 -25.711 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.364 10.064 -27.627 1.00 0.00 C ATOM 0 H LEU A 48 0.074 11.389 -29.703 1.00 0.00 H new ATOM 0 HA LEU A 48 2.961 10.774 -30.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.099 9.742 -27.927 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.381 11.315 -27.638 1.00 0.00 H new ATOM 0 HG LEU A 48 1.115 8.587 -27.421 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.498 9.415 -25.137 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.254 9.461 -25.424 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.300 10.961 -25.507 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.089 9.556 -26.991 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.478 11.142 -27.517 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.535 9.785 -28.667 1.00 0.00 H new ATOM 962 N ILE A 49 0.465 9.345 -31.153 1.00 0.00 N ATOM 963 CA ILE A 49 -0.078 8.230 -31.973 1.00 0.00 C ATOM 964 C ILE A 49 -0.462 8.762 -33.365 1.00 0.00 C ATOM 965 O ILE A 49 -0.966 9.886 -33.480 1.00 0.00 O ATOM 966 CB ILE A 49 -1.342 7.545 -31.311 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.934 6.772 -30.031 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.094 6.596 -32.299 1.00 0.00 C ATOM 969 CD1 ILE A 49 -2.075 6.104 -29.308 1.00 0.00 C ATOM 0 H ILE A 49 -0.027 10.226 -31.299 1.00 0.00 H new ATOM 0 HA ILE A 49 0.702 7.473 -32.048 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.032 8.345 -31.044 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.199 6.014 -30.300 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.443 7.464 -29.346 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.952 6.152 -31.795 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.436 7.167 -33.163 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.419 5.806 -32.630 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.695 5.588 -28.426 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.803 6.856 -29.003 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.554 5.384 -29.971 1.00 0.00 H new ATOM 981 N GLU A 50 -0.194 7.968 -34.417 1.00 0.00 N ATOM 982 CA GLU A 50 -0.809 8.152 -35.753 1.00 0.00 C ATOM 983 C GLU A 50 -1.169 6.795 -36.364 1.00 0.00 C ATOM 984 O GLU A 50 -0.286 6.025 -36.714 1.00 0.00 O ATOM 985 CB GLU A 50 0.110 8.945 -36.735 1.00 0.00 C ATOM 986 CG GLU A 50 -0.139 10.458 -36.759 1.00 0.00 C ATOM 987 CD GLU A 50 -1.598 10.851 -37.027 1.00 0.00 C ATOM 988 OE1 GLU A 50 -2.063 10.690 -38.170 1.00 0.00 O ATOM 989 OE2 GLU A 50 -2.288 11.313 -36.083 1.00 0.00 O ATOM 0 H GLU A 50 0.453 7.181 -34.370 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.713 8.743 -35.604 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.150 8.765 -36.464 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.030 8.551 -37.742 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.170 10.881 -35.803 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.493 10.907 -37.525 1.00 0.00 H new ATOM 996 N ASP A 51 -2.478 6.524 -36.462 1.00 0.00 N ATOM 997 CA ASP A 51 -3.043 5.382 -37.215 1.00 0.00 C ATOM 998 C ASP A 51 -2.464 4.024 -36.729 1.00 0.00 C ATOM 999 O ASP A 51 -2.221 3.097 -37.514 1.00 0.00 O ATOM 1000 CB ASP A 51 -2.834 5.616 -38.748 1.00 0.00 C ATOM 1001 CG ASP A 51 -3.660 4.672 -39.640 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -4.905 4.807 -39.658 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -3.080 3.797 -40.321 1.00 0.00 O ATOM 0 H ASP A 51 -3.191 7.099 -36.014 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.115 5.325 -37.024 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.095 6.647 -38.987 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.777 5.491 -38.984 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.230 3.941 -35.410 1.00 0.00 N ATOM 1009 CA GLY A 52 -1.707 2.729 -34.776 1.00 0.00 C ATOM 1010 C GLY A 52 -0.213 2.501 -35.001 1.00 0.00 C ATOM 1011 O GLY A 52 0.247 1.354 -35.043 1.00 0.00 O ATOM 0 H GLY A 52 -2.398 4.709 -34.760 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.898 2.781 -33.704 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.256 1.867 -35.156 1.00 0.00 H new ATOM 1015 N GLU A 53 0.532 3.591 -35.204 1.00 0.00 N ATOM 1016 CA GLU A 53 1.999 3.622 -35.039 1.00 0.00 C ATOM 1017 C GLU A 53 2.347 4.803 -34.127 1.00 0.00 C ATOM 1018 O GLU A 53 1.440 5.494 -33.637 1.00 0.00 O ATOM 1019 CB GLU A 53 2.773 3.711 -36.382 1.00 0.00 C ATOM 1020 CG GLU A 53 2.550 5.018 -37.189 1.00 0.00 C ATOM 1021 CD GLU A 53 3.837 5.575 -37.823 1.00 0.00 C ATOM 1022 OE1 GLU A 53 4.199 5.151 -38.938 1.00 0.00 O ATOM 1023 OE2 GLU A 53 4.513 6.416 -37.185 1.00 0.00 O ATOM 0 H GLU A 53 0.137 4.487 -35.490 1.00 0.00 H new ATOM 0 HA GLU A 53 2.312 2.678 -34.593 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.838 3.607 -36.176 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.485 2.865 -37.005 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.819 4.830 -37.975 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.122 5.774 -36.530 1.00 0.00 H new ATOM 1030 N VAL A 54 3.655 5.035 -33.896 1.00 0.00 N ATOM 1031 CA VAL A 54 4.102 6.024 -32.907 1.00 0.00 C ATOM 1032 C VAL A 54 3.734 7.479 -33.319 1.00 0.00 C ATOM 1033 O VAL A 54 3.024 8.111 -32.570 1.00 0.00 O ATOM 1034 CB VAL A 54 5.642 5.884 -32.596 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.926 4.568 -31.833 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.510 5.956 -33.882 1.00 0.00 C ATOM 0 H VAL A 54 4.412 4.552 -34.380 1.00 0.00 H new ATOM 0 HA VAL A 54 3.561 5.809 -31.986 1.00 0.00 H new ATOM 0 HB VAL A 54 5.919 6.730 -31.967 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.994 4.490 -31.628 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.375 4.566 -30.893 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.610 3.720 -32.440 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.562 5.855 -33.617 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.227 5.149 -34.558 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.351 6.915 -34.375 1.00 0.00 H new ATOM 1046 N LYS A 55 4.163 7.944 -34.528 1.00 0.00 N ATOM 1047 CA LYS A 55 3.860 9.295 -35.115 1.00 0.00 C ATOM 1048 C LYS A 55 5.043 9.720 -36.009 1.00 0.00 C ATOM 1049 O LYS A 55 6.207 9.570 -35.601 1.00 0.00 O ATOM 1050 CB LYS A 55 3.564 10.413 -34.055 1.00 0.00 C ATOM 1051 CG LYS A 55 3.553 11.896 -34.540 1.00 0.00 C ATOM 1052 CD LYS A 55 2.164 12.407 -34.968 1.00 0.00 C ATOM 1053 CE LYS A 55 1.138 12.367 -33.817 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.228 12.774 -34.243 1.00 0.00 N ATOM 0 H LYS A 55 4.746 7.377 -35.143 1.00 0.00 H new ATOM 0 HA LYS A 55 2.940 9.189 -35.689 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.593 10.201 -33.608 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.306 10.326 -33.262 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.931 12.532 -33.740 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.240 11.998 -35.380 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.254 13.430 -35.334 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.798 11.802 -35.798 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.099 11.358 -33.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.474 13.024 -33.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.556 13.563 -33.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.206 13.075 -35.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.878 11.969 -34.139 1.00 0.00 H new ATOM 1068 N PRO A 56 4.767 10.237 -37.240 1.00 0.00 N ATOM 1069 CA PRO A 56 5.771 10.973 -38.055 1.00 0.00 C ATOM 1070 C PRO A 56 6.321 12.224 -37.318 1.00 0.00 C ATOM 1071 O PRO A 56 5.545 12.998 -36.748 1.00 0.00 O ATOM 1072 CB PRO A 56 4.966 11.380 -39.329 1.00 0.00 C ATOM 1073 CG PRO A 56 3.527 11.269 -38.915 1.00 0.00 C ATOM 1074 CD PRO A 56 3.481 10.107 -37.970 1.00 0.00 C ATOM 0 HA PRO A 56 6.653 10.370 -38.272 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.211 12.394 -39.646 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.190 10.721 -40.168 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.184 12.184 -38.432 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.881 11.102 -39.777 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.625 10.164 -37.298 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.408 9.156 -38.499 1.00 0.00 H new ATOM 1082 N HIS A 57 7.661 12.383 -37.339 1.00 0.00 N ATOM 1083 CA HIS A 57 8.415 13.551 -36.781 1.00 0.00 C ATOM 1084 C HIS A 57 8.627 13.462 -35.249 1.00 0.00 C ATOM 1085 O HIS A 57 9.577 14.070 -34.735 1.00 0.00 O ATOM 1086 CB HIS A 57 7.823 14.937 -37.201 1.00 0.00 C ATOM 1087 CG HIS A 57 7.672 15.108 -38.702 1.00 0.00 C ATOM 1088 ND1 HIS A 57 8.713 15.456 -39.535 1.00 0.00 N ATOM 1089 CD2 HIS A 57 6.594 14.938 -39.511 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.290 15.481 -40.784 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.009 15.171 -40.796 1.00 0.00 N ATOM 0 H HIS A 57 8.278 11.686 -37.756 1.00 0.00 H new ATOM 0 HA HIS A 57 9.401 13.487 -37.242 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.848 15.063 -36.730 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.467 15.728 -36.817 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.596 14.669 -39.199 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.891 15.716 -41.650 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.421 15.114 -41.628 1.00 0.00 H new ATOM 1100 N VAL A 58 7.728 12.761 -34.520 1.00 0.00 N ATOM 1101 CA VAL A 58 7.969 12.377 -33.105 1.00 0.00 C ATOM 1102 C VAL A 58 9.119 11.369 -33.060 1.00 0.00 C ATOM 1103 O VAL A 58 9.041 10.311 -33.691 1.00 0.00 O ATOM 1104 CB VAL A 58 6.672 11.772 -32.407 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.998 10.829 -31.214 1.00 0.00 C ATOM 1106 CG2 VAL A 58 5.727 12.882 -31.931 1.00 0.00 C ATOM 0 H VAL A 58 6.829 12.449 -34.886 1.00 0.00 H new ATOM 0 HA VAL A 58 8.228 13.276 -32.547 1.00 0.00 H new ATOM 0 HB VAL A 58 6.182 11.174 -33.175 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.070 10.452 -30.784 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.601 9.992 -31.566 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.552 11.381 -30.454 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.851 12.437 -31.459 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.244 13.516 -31.211 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.413 13.483 -32.784 1.00 0.00 H new ATOM 1116 N ASN A 59 10.191 11.719 -32.345 1.00 0.00 N ATOM 1117 CA ASN A 59 11.343 10.842 -32.165 1.00 0.00 C ATOM 1118 C ASN A 59 11.182 10.086 -30.842 1.00 0.00 C ATOM 1119 O ASN A 59 11.334 10.661 -29.769 1.00 0.00 O ATOM 1120 CB ASN A 59 12.653 11.669 -32.183 1.00 0.00 C ATOM 1121 CG ASN A 59 12.832 12.487 -33.468 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.428 13.649 -33.537 1.00 0.00 O ATOM 1123 ND2 ASN A 59 13.426 11.888 -34.495 1.00 0.00 N ATOM 0 H ASN A 59 10.282 12.620 -31.875 1.00 0.00 H new ATOM 0 HA ASN A 59 11.398 10.123 -32.982 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.662 12.343 -31.326 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.502 10.996 -32.067 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.558 12.392 -35.372 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.749 10.925 -34.406 1.00 0.00 H new ATOM 1130 N VAL A 60 10.824 8.802 -30.928 1.00 0.00 N ATOM 1131 CA VAL A 60 10.720 7.910 -29.757 1.00 0.00 C ATOM 1132 C VAL A 60 11.855 6.889 -29.790 1.00 0.00 C ATOM 1133 O VAL A 60 12.275 6.446 -30.854 1.00 0.00 O ATOM 1134 CB VAL A 60 9.337 7.176 -29.668 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.251 8.080 -29.034 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.885 6.672 -31.052 1.00 0.00 C ATOM 0 H VAL A 60 10.596 8.345 -31.811 1.00 0.00 H new ATOM 0 HA VAL A 60 10.800 8.534 -28.867 1.00 0.00 H new ATOM 0 HB VAL A 60 9.471 6.312 -29.017 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.307 7.537 -28.989 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.556 8.362 -28.026 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.125 8.977 -29.640 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.923 6.167 -30.959 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.787 7.517 -31.733 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.625 5.974 -31.444 1.00 0.00 H new ATOM 1146 N LEU A 61 12.320 6.522 -28.596 1.00 0.00 N ATOM 1147 CA LEU A 61 13.592 5.820 -28.366 1.00 0.00 C ATOM 1148 C LEU A 61 13.379 4.630 -27.411 1.00 0.00 C ATOM 1149 O LEU A 61 12.322 4.492 -26.788 1.00 0.00 O ATOM 1150 CB LEU A 61 14.673 6.795 -27.786 1.00 0.00 C ATOM 1151 CG LEU A 61 15.360 7.809 -28.765 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.431 8.943 -29.206 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.680 8.374 -28.179 1.00 0.00 C ATOM 0 H LEU A 61 11.810 6.709 -27.733 1.00 0.00 H new ATOM 0 HA LEU A 61 13.952 5.444 -29.324 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.207 7.369 -26.985 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.457 6.190 -27.330 1.00 0.00 H new ATOM 0 HG LEU A 61 15.603 7.235 -29.659 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.966 9.610 -29.882 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.565 8.525 -29.719 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.099 9.503 -28.331 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.124 9.072 -28.889 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.470 8.892 -27.243 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.375 7.555 -27.993 1.00 0.00 H new ATOM 1165 N LYS A 62 14.428 3.809 -27.289 1.00 0.00 N ATOM 1166 CA LYS A 62 14.407 2.527 -26.562 1.00 0.00 C ATOM 1167 C LYS A 62 15.857 2.126 -26.277 1.00 0.00 C ATOM 1168 O LYS A 62 16.568 1.715 -27.198 1.00 0.00 O ATOM 1169 CB LYS A 62 13.708 1.462 -27.455 1.00 0.00 C ATOM 1170 CG LYS A 62 13.939 -0.014 -27.084 1.00 0.00 C ATOM 1171 CD LYS A 62 13.184 -0.459 -25.829 1.00 0.00 C ATOM 1172 CE LYS A 62 13.582 -1.879 -25.421 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.996 -1.939 -24.972 1.00 0.00 N ATOM 0 H LYS A 62 15.337 4.019 -27.701 1.00 0.00 H new ATOM 0 HA LYS A 62 13.861 2.609 -25.622 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.635 1.653 -27.435 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.039 1.610 -28.483 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.635 -0.642 -27.922 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.006 -0.179 -26.933 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.394 0.230 -25.011 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.110 -0.418 -26.013 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.929 -2.225 -24.619 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.438 -2.555 -26.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.538 -2.554 -25.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.405 -0.983 -24.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.038 -2.322 -24.006 1.00 0.00 H new ATOM 1187 N ASN A 63 16.293 2.273 -25.008 1.00 0.00 N ATOM 1188 CA ASN A 63 17.715 2.096 -24.597 1.00 0.00 C ATOM 1189 C ASN A 63 18.631 3.039 -25.439 1.00 0.00 C ATOM 1190 O ASN A 63 19.776 2.714 -25.779 1.00 0.00 O ATOM 1191 CB ASN A 63 18.117 0.586 -24.724 1.00 0.00 C ATOM 1192 CG ASN A 63 19.435 0.207 -24.025 1.00 0.00 C ATOM 1193 OD1 ASN A 63 19.447 -0.144 -22.847 1.00 0.00 O ATOM 1194 ND2 ASN A 63 20.547 0.255 -24.748 1.00 0.00 N ATOM 0 H ASN A 63 15.675 2.518 -24.235 1.00 0.00 H new ATOM 0 HA ASN A 63 17.844 2.376 -23.552 1.00 0.00 H new ATOM 0 HB2 ASN A 63 17.314 -0.025 -24.311 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.197 0.334 -25.781 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.440 -0.003 -24.328 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.509 0.550 -25.724 1.00 0.00 H new ATOM 1201 N GLY A 64 18.080 4.232 -25.757 1.00 0.00 N ATOM 1202 CA GLY A 64 18.739 5.224 -26.616 1.00 0.00 C ATOM 1203 C GLY A 64 18.545 4.990 -28.128 1.00 0.00 C ATOM 1204 O GLY A 64 18.817 5.884 -28.931 1.00 0.00 O ATOM 0 H GLY A 64 17.164 4.528 -25.421 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.360 6.214 -26.363 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.806 5.225 -26.395 1.00 0.00 H new ATOM 1208 N ARG A 65 18.060 3.797 -28.512 1.00 0.00 N ATOM 1209 CA ARG A 65 17.863 3.409 -29.931 1.00 0.00 C ATOM 1210 C ARG A 65 16.474 3.869 -30.413 1.00 0.00 C ATOM 1211 O ARG A 65 15.456 3.433 -29.874 1.00 0.00 O ATOM 1212 CB ARG A 65 18.022 1.872 -30.083 1.00 0.00 C ATOM 1213 CG ARG A 65 18.084 1.376 -31.546 1.00 0.00 C ATOM 1214 CD ARG A 65 18.321 -0.145 -31.651 1.00 0.00 C ATOM 1215 NE ARG A 65 18.628 -0.556 -33.039 1.00 0.00 N ATOM 1216 CZ ARG A 65 19.734 -1.219 -33.433 1.00 0.00 C ATOM 1217 NH1 ARG A 65 20.681 -1.555 -32.562 1.00 0.00 N ATOM 1218 NH2 ARG A 65 19.903 -1.512 -34.709 1.00 0.00 N ATOM 0 H ARG A 65 17.791 3.069 -27.850 1.00 0.00 H new ATOM 0 HA ARG A 65 18.618 3.896 -30.549 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.931 1.561 -29.568 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.188 1.382 -29.581 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.152 1.630 -32.051 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.883 1.901 -32.069 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.144 -0.431 -30.996 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.436 -0.676 -31.301 1.00 0.00 H new ATOM 0 HE ARG A 65 17.945 -0.318 -33.758 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.578 -1.311 -31.577 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.511 -2.057 -32.879 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.198 -1.237 -35.393 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.738 -2.013 -35.011 1.00 0.00 H new ATOM 1232 N GLU A 66 16.454 4.736 -31.439 1.00 0.00 N ATOM 1233 CA GLU A 66 15.245 5.464 -31.856 1.00 0.00 C ATOM 1234 C GLU A 66 14.306 4.556 -32.691 1.00 0.00 C ATOM 1235 O GLU A 66 14.557 4.298 -33.874 1.00 0.00 O ATOM 1236 CB GLU A 66 15.661 6.745 -32.628 1.00 0.00 C ATOM 1237 CG GLU A 66 14.591 7.847 -32.698 1.00 0.00 C ATOM 1238 CD GLU A 66 15.081 9.098 -33.448 1.00 0.00 C ATOM 1239 OE1 GLU A 66 14.925 9.170 -34.686 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.644 10.012 -32.804 1.00 0.00 O ATOM 0 H GLU A 66 17.276 4.952 -32.003 1.00 0.00 H new ATOM 0 HA GLU A 66 14.678 5.763 -30.974 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.554 7.158 -32.159 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.936 6.463 -33.644 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.703 7.455 -33.193 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.295 8.126 -31.687 1.00 0.00 H new ATOM 1247 N VAL A 67 13.209 4.102 -32.047 1.00 0.00 N ATOM 1248 CA VAL A 67 12.286 3.072 -32.583 1.00 0.00 C ATOM 1249 C VAL A 67 11.412 3.532 -33.764 1.00 0.00 C ATOM 1250 O VAL A 67 10.630 2.737 -34.282 1.00 0.00 O ATOM 1251 CB VAL A 67 11.375 2.450 -31.462 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.193 1.605 -30.478 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.560 3.527 -30.714 1.00 0.00 C ATOM 0 H VAL A 67 12.934 4.444 -31.126 1.00 0.00 H new ATOM 0 HA VAL A 67 12.957 2.308 -32.976 1.00 0.00 H new ATOM 0 HB VAL A 67 10.665 1.792 -31.964 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.532 1.191 -29.717 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.682 0.792 -31.015 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.948 2.230 -30.001 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.945 3.052 -29.949 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.240 4.237 -30.244 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.918 4.053 -31.420 1.00 0.00 H new ATOM 1263 N VAL A 68 11.528 4.797 -34.187 1.00 0.00 N ATOM 1264 CA VAL A 68 10.878 5.261 -35.433 1.00 0.00 C ATOM 1265 C VAL A 68 11.542 4.614 -36.678 1.00 0.00 C ATOM 1266 O VAL A 68 10.946 4.585 -37.756 1.00 0.00 O ATOM 1267 CB VAL A 68 10.912 6.825 -35.558 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.277 7.486 -34.319 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.344 7.358 -35.794 1.00 0.00 C ATOM 0 H VAL A 68 12.059 5.516 -33.695 1.00 0.00 H new ATOM 0 HA VAL A 68 9.835 4.948 -35.386 1.00 0.00 H new ATOM 0 HB VAL A 68 10.322 7.092 -36.434 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.311 8.570 -34.427 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.240 7.163 -34.226 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.830 7.193 -33.427 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.319 8.445 -35.874 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.982 7.070 -34.958 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.742 6.935 -36.716 1.00 0.00 H new ATOM 1279 N HIS A 69 12.791 4.111 -36.499 1.00 0.00 N ATOM 1280 CA HIS A 69 13.581 3.457 -37.566 1.00 0.00 C ATOM 1281 C HIS A 69 13.356 1.927 -37.558 1.00 0.00 C ATOM 1282 O HIS A 69 13.468 1.274 -38.602 1.00 0.00 O ATOM 1283 CB HIS A 69 15.091 3.787 -37.386 1.00 0.00 C ATOM 1284 CG HIS A 69 15.390 5.270 -37.370 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.215 6.090 -38.466 1.00 0.00 N ATOM 1286 CD2 HIS A 69 15.811 6.082 -36.370 1.00 0.00 C ATOM 1287 CE1 HIS A 69 15.515 7.332 -38.144 1.00 0.00 C ATOM 1288 NE2 HIS A 69 15.876 7.356 -36.877 1.00 0.00 N ATOM 0 H HIS A 69 13.278 4.150 -35.604 1.00 0.00 H new ATOM 0 HA HIS A 69 13.248 3.841 -38.530 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.442 3.344 -36.454 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.655 3.320 -38.193 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.051 5.782 -35.361 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.472 8.185 -38.806 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.158 8.187 -36.357 1.00 0.00 H new ATOM 1297 N LEU A 70 13.062 1.370 -36.360 1.00 0.00 N ATOM 1298 CA LEU A 70 12.746 -0.070 -36.164 1.00 0.00 C ATOM 1299 C LEU A 70 11.295 -0.212 -35.645 1.00 0.00 C ATOM 1300 O LEU A 70 10.437 0.600 -36.007 1.00 0.00 O ATOM 1301 CB LEU A 70 13.790 -0.770 -35.222 1.00 0.00 C ATOM 1302 CG LEU A 70 14.055 -0.129 -33.810 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.624 -1.165 -32.818 1.00 0.00 C ATOM 1304 CD2 LEU A 70 15.009 1.079 -33.913 1.00 0.00 C ATOM 0 H LEU A 70 13.036 1.909 -35.494 1.00 0.00 H new ATOM 0 HA LEU A 70 12.818 -0.584 -37.122 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.463 -1.798 -35.066 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.741 -0.815 -35.752 1.00 0.00 H new ATOM 0 HG LEU A 70 13.093 0.218 -33.432 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.795 -0.689 -31.853 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.913 -1.983 -32.698 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.566 -1.557 -33.202 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.172 1.500 -32.921 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.962 0.755 -34.331 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.568 1.837 -34.560 1.00 0.00 H new ATOM 1316 N ASP A 71 11.004 -1.271 -34.862 1.00 0.00 N ATOM 1317 CA ASP A 71 9.671 -1.496 -34.284 1.00 0.00 C ATOM 1318 C ASP A 71 9.333 -0.414 -33.241 1.00 0.00 C ATOM 1319 O ASP A 71 9.907 -0.400 -32.151 1.00 0.00 O ATOM 1320 CB ASP A 71 9.602 -2.891 -33.633 1.00 0.00 C ATOM 1321 CG ASP A 71 9.892 -4.020 -34.623 1.00 0.00 C ATOM 1322 OD1 ASP A 71 8.952 -4.492 -35.290 1.00 0.00 O ATOM 1323 OD2 ASP A 71 11.067 -4.425 -34.754 1.00 0.00 O ATOM 0 H ASP A 71 11.686 -1.989 -34.616 1.00 0.00 H new ATOM 0 HA ASP A 71 8.939 -1.439 -35.089 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.318 -2.940 -32.812 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.612 -3.037 -33.201 1.00 0.00 H new ATOM 1328 N GLY A 72 8.403 0.486 -33.596 1.00 0.00 N ATOM 1329 CA GLY A 72 7.965 1.551 -32.692 1.00 0.00 C ATOM 1330 C GLY A 72 6.899 1.078 -31.719 1.00 0.00 C ATOM 1331 O GLY A 72 6.884 1.477 -30.551 1.00 0.00 O ATOM 0 H GLY A 72 7.941 0.494 -34.505 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.823 1.926 -32.134 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.576 2.384 -33.277 1.00 0.00 H new ATOM 1335 N MET A 73 6.004 0.222 -32.217 1.00 0.00 N ATOM 1336 CA MET A 73 4.836 -0.264 -31.467 1.00 0.00 C ATOM 1337 C MET A 73 5.211 -1.393 -30.486 1.00 0.00 C ATOM 1338 O MET A 73 4.698 -1.426 -29.368 1.00 0.00 O ATOM 1339 CB MET A 73 3.733 -0.705 -32.466 1.00 0.00 C ATOM 1340 CG MET A 73 3.092 0.442 -33.292 1.00 0.00 C ATOM 1341 SD MET A 73 1.807 1.369 -32.395 1.00 0.00 S ATOM 1342 CE MET A 73 2.720 2.541 -31.389 1.00 0.00 C ATOM 0 H MET A 73 6.067 -0.159 -33.161 1.00 0.00 H new ATOM 0 HA MET A 73 4.449 0.549 -30.853 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.160 -1.433 -33.156 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.946 -1.215 -31.911 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.875 1.134 -33.603 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.657 0.024 -34.200 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.567 2.312 -30.334 1.00 0.00 H new ATOM 0 HE2 MET A 73 3.782 2.473 -31.624 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.367 3.551 -31.596 1.00 0.00 H new ATOM 1352 N ALA A 74 6.128 -2.295 -30.899 1.00 0.00 N ATOM 1353 CA ALA A 74 6.567 -3.436 -30.060 1.00 0.00 C ATOM 1354 C ALA A 74 8.005 -3.845 -30.414 1.00 0.00 C ATOM 1355 O ALA A 74 8.229 -4.728 -31.248 1.00 0.00 O ATOM 1356 CB ALA A 74 5.586 -4.622 -30.210 1.00 0.00 C ATOM 0 H ALA A 74 6.581 -2.256 -31.812 1.00 0.00 H new ATOM 0 HA ALA A 74 6.561 -3.127 -29.015 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.921 -5.452 -29.588 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.590 -4.312 -29.895 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.555 -4.939 -31.252 1.00 0.00 H new ATOM 1362 N THR A 75 8.975 -3.139 -29.811 1.00 0.00 N ATOM 1363 CA THR A 75 10.409 -3.419 -30.002 1.00 0.00 C ATOM 1364 C THR A 75 10.889 -4.589 -29.107 1.00 0.00 C ATOM 1365 O THR A 75 11.044 -5.713 -29.605 1.00 0.00 O ATOM 1366 CB THR A 75 11.297 -2.124 -29.816 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.688 -2.461 -29.664 1.00 0.00 O ATOM 1368 CG2 THR A 75 10.839 -1.260 -28.635 1.00 0.00 C ATOM 0 H THR A 75 8.789 -2.360 -29.179 1.00 0.00 H new ATOM 0 HA THR A 75 10.537 -3.737 -31.037 1.00 0.00 H new ATOM 0 HB THR A 75 11.170 -1.537 -30.725 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.239 -1.677 -29.870 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.483 -0.385 -28.553 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.810 -0.939 -28.796 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.898 -1.841 -27.715 1.00 0.00 H new ATOM 1376 N ALA A 76 11.064 -4.351 -27.785 1.00 0.00 N ATOM 1377 CA ALA A 76 11.854 -5.264 -26.930 1.00 0.00 C ATOM 1378 C ALA A 76 11.717 -4.959 -25.418 1.00 0.00 C ATOM 1379 O ALA A 76 12.672 -5.175 -24.661 1.00 0.00 O ATOM 1380 CB ALA A 76 13.338 -5.234 -27.370 1.00 0.00 C ATOM 0 H ALA A 76 10.674 -3.546 -27.295 1.00 0.00 H new ATOM 0 HA ALA A 76 11.450 -6.267 -27.067 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.918 -5.907 -26.739 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.416 -5.553 -28.409 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.726 -4.220 -27.272 1.00 0.00 H new ATOM 1386 N LEU A 77 10.534 -4.497 -24.962 1.00 0.00 N ATOM 1387 CA LEU A 77 10.377 -4.017 -23.565 1.00 0.00 C ATOM 1388 C LEU A 77 10.359 -5.168 -22.544 1.00 0.00 C ATOM 1389 O LEU A 77 9.814 -6.245 -22.788 1.00 0.00 O ATOM 1390 CB LEU A 77 9.113 -3.133 -23.367 1.00 0.00 C ATOM 1391 CG LEU A 77 9.211 -1.665 -23.885 1.00 0.00 C ATOM 1392 CD1 LEU A 77 8.009 -0.830 -23.406 1.00 0.00 C ATOM 1393 CD2 LEU A 77 10.529 -0.999 -23.455 1.00 0.00 C ATOM 0 H LEU A 77 9.685 -4.445 -25.526 1.00 0.00 H new ATOM 0 HA LEU A 77 11.258 -3.401 -23.382 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.274 -3.617 -23.867 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.877 -3.106 -22.303 1.00 0.00 H new ATOM 0 HG LEU A 77 9.195 -1.705 -24.974 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.102 0.189 -23.781 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.086 -1.272 -23.781 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.987 -0.815 -22.316 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.561 0.022 -23.834 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.591 -0.984 -22.367 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.370 -1.563 -23.859 1.00 0.00 H new ATOM 1405 N ASP A 78 10.966 -4.871 -21.391 1.00 0.00 N ATOM 1406 CA ASP A 78 11.163 -5.796 -20.270 1.00 0.00 C ATOM 1407 C ASP A 78 11.198 -4.961 -18.971 1.00 0.00 C ATOM 1408 O ASP A 78 11.246 -3.728 -19.030 1.00 0.00 O ATOM 1409 CB ASP A 78 12.494 -6.584 -20.506 1.00 0.00 C ATOM 1410 CG ASP A 78 12.927 -7.509 -19.348 1.00 0.00 C ATOM 1411 OD1 ASP A 78 12.124 -8.364 -18.919 1.00 0.00 O ATOM 1412 OD2 ASP A 78 14.068 -7.364 -18.848 1.00 0.00 O ATOM 0 H ASP A 78 11.349 -3.944 -21.205 1.00 0.00 H new ATOM 0 HA ASP A 78 10.356 -6.525 -20.189 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.386 -7.185 -21.409 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.293 -5.867 -20.695 1.00 0.00 H new ATOM 1417 N ASP A 79 11.150 -5.616 -17.806 1.00 0.00 N ATOM 1418 CA ASP A 79 11.192 -4.916 -16.504 1.00 0.00 C ATOM 1419 C ASP A 79 12.533 -4.183 -16.308 1.00 0.00 C ATOM 1420 O ASP A 79 13.604 -4.743 -16.563 1.00 0.00 O ATOM 1421 CB ASP A 79 10.952 -5.914 -15.344 1.00 0.00 C ATOM 1422 CG ASP A 79 10.942 -5.242 -13.953 1.00 0.00 C ATOM 1423 OD1 ASP A 79 9.925 -4.610 -13.598 1.00 0.00 O ATOM 1424 OD2 ASP A 79 11.947 -5.334 -13.215 1.00 0.00 O ATOM 0 H ASP A 79 11.082 -6.631 -17.731 1.00 0.00 H new ATOM 0 HA ASP A 79 10.396 -4.172 -16.499 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.000 -6.422 -15.502 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.729 -6.679 -15.365 1.00 0.00 H new ATOM 1429 N GLY A 80 12.443 -2.935 -15.834 1.00 0.00 N ATOM 1430 CA GLY A 80 13.605 -2.070 -15.638 1.00 0.00 C ATOM 1431 C GLY A 80 14.170 -1.491 -16.936 1.00 0.00 C ATOM 1432 O GLY A 80 15.307 -0.996 -16.943 1.00 0.00 O ATOM 0 H GLY A 80 11.558 -2.498 -15.576 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.328 -1.250 -14.976 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.387 -2.637 -15.133 1.00 0.00 H new ATOM 1436 N ASP A 81 13.382 -1.536 -18.032 1.00 0.00 N ATOM 1437 CA ASP A 81 13.805 -0.981 -19.341 1.00 0.00 C ATOM 1438 C ASP A 81 13.510 0.531 -19.380 1.00 0.00 C ATOM 1439 O ASP A 81 12.638 1.008 -18.655 1.00 0.00 O ATOM 1440 CB ASP A 81 13.075 -1.702 -20.514 1.00 0.00 C ATOM 1441 CG ASP A 81 13.868 -1.671 -21.829 1.00 0.00 C ATOM 1442 OD1 ASP A 81 13.987 -0.587 -22.451 1.00 0.00 O ATOM 1443 OD2 ASP A 81 14.400 -2.728 -22.237 1.00 0.00 O ATOM 0 H ASP A 81 12.450 -1.950 -18.039 1.00 0.00 H new ATOM 0 HA ASP A 81 14.876 -1.145 -19.459 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.887 -2.739 -20.234 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.103 -1.234 -20.672 1.00 0.00 H new ATOM 1448 N ALA A 82 14.220 1.269 -20.249 1.00 0.00 N ATOM 1449 CA ALA A 82 14.097 2.735 -20.355 1.00 0.00 C ATOM 1450 C ALA A 82 13.663 3.156 -21.775 1.00 0.00 C ATOM 1451 O ALA A 82 14.447 3.078 -22.729 1.00 0.00 O ATOM 1452 CB ALA A 82 15.425 3.404 -19.957 1.00 0.00 C ATOM 0 H ALA A 82 14.896 0.867 -20.899 1.00 0.00 H new ATOM 0 HA ALA A 82 13.321 3.069 -19.667 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.326 4.486 -20.038 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.673 3.138 -18.929 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.218 3.062 -20.621 1.00 0.00 H new ATOM 1458 N VAL A 83 12.391 3.566 -21.903 1.00 0.00 N ATOM 1459 CA VAL A 83 11.861 4.213 -23.116 1.00 0.00 C ATOM 1460 C VAL A 83 12.130 5.725 -23.001 1.00 0.00 C ATOM 1461 O VAL A 83 11.961 6.294 -21.933 1.00 0.00 O ATOM 1462 CB VAL A 83 10.302 3.977 -23.277 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.741 4.590 -24.591 1.00 0.00 C ATOM 1464 CG2 VAL A 83 9.937 2.481 -23.181 1.00 0.00 C ATOM 0 H VAL A 83 11.696 3.458 -21.164 1.00 0.00 H new ATOM 0 HA VAL A 83 12.353 3.782 -23.988 1.00 0.00 H new ATOM 0 HB VAL A 83 9.830 4.498 -22.444 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.669 4.400 -24.652 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.920 5.665 -24.596 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.240 4.135 -25.447 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.860 2.361 -23.296 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.450 1.930 -23.969 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.243 2.093 -22.209 1.00 0.00 H new ATOM 1474 N SER A 84 12.566 6.359 -24.090 1.00 0.00 N ATOM 1475 CA SER A 84 12.720 7.831 -24.163 1.00 0.00 C ATOM 1476 C SER A 84 11.793 8.368 -25.266 1.00 0.00 C ATOM 1477 O SER A 84 11.478 7.638 -26.193 1.00 0.00 O ATOM 1478 CB SER A 84 14.194 8.205 -24.434 1.00 0.00 C ATOM 1479 OG SER A 84 15.035 7.805 -23.363 1.00 0.00 O ATOM 0 H SER A 84 12.825 5.877 -24.951 1.00 0.00 H new ATOM 0 HA SER A 84 12.441 8.284 -23.212 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.527 7.731 -25.357 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.277 9.282 -24.581 1.00 0.00 H new ATOM 0 HG SER A 84 15.961 8.053 -23.564 1.00 0.00 H new ATOM 1485 N VAL A 85 11.321 9.630 -25.152 1.00 0.00 N ATOM 1486 CA VAL A 85 10.379 10.228 -26.134 1.00 0.00 C ATOM 1487 C VAL A 85 10.719 11.719 -26.360 1.00 0.00 C ATOM 1488 O VAL A 85 11.206 12.416 -25.455 1.00 0.00 O ATOM 1489 CB VAL A 85 8.843 10.101 -25.717 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.432 8.648 -25.351 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.478 11.071 -24.581 1.00 0.00 C ATOM 0 H VAL A 85 11.576 10.258 -24.389 1.00 0.00 H new ATOM 0 HA VAL A 85 10.507 9.656 -27.053 1.00 0.00 H new ATOM 0 HB VAL A 85 8.272 10.380 -26.602 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.377 8.626 -25.076 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.597 7.996 -26.209 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.033 8.301 -24.511 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.425 10.953 -24.327 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.089 10.852 -23.705 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.661 12.096 -24.905 1.00 0.00 H new ATOM 1501 N PHE A 86 10.459 12.185 -27.584 1.00 0.00 N ATOM 1502 CA PHE A 86 10.613 13.590 -28.003 1.00 0.00 C ATOM 1503 C PHE A 86 9.357 13.960 -28.844 1.00 0.00 C ATOM 1504 O PHE A 86 8.882 13.122 -29.621 1.00 0.00 O ATOM 1505 CB PHE A 86 11.892 13.794 -28.880 1.00 0.00 C ATOM 1506 CG PHE A 86 13.226 13.460 -28.200 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.658 12.144 -28.084 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.054 14.460 -27.683 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.857 11.834 -27.478 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.261 14.141 -27.080 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.657 12.823 -26.979 1.00 0.00 C ATOM 0 H PHE A 86 10.126 11.582 -28.336 1.00 0.00 H new ATOM 0 HA PHE A 86 10.714 14.222 -27.121 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.798 13.179 -29.775 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.923 14.833 -29.208 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.042 11.348 -28.476 1.00 0.00 H new ATOM 0 HD2 PHE A 86 13.750 15.494 -27.754 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.166 10.802 -27.397 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.892 14.925 -26.689 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.596 12.574 -26.507 1.00 0.00 H new ATOM 1521 N PRO A 87 8.798 15.199 -28.695 1.00 0.00 N ATOM 1522 CA PRO A 87 7.668 15.720 -29.529 1.00 0.00 C ATOM 1523 C PRO A 87 8.057 15.875 -31.020 1.00 0.00 C ATOM 1524 O PRO A 87 9.248 15.760 -31.358 1.00 0.00 O ATOM 1525 CB PRO A 87 7.352 17.093 -28.868 1.00 0.00 C ATOM 1526 CG PRO A 87 8.630 17.477 -28.225 1.00 0.00 C ATOM 1527 CD PRO A 87 9.204 16.193 -27.690 1.00 0.00 C ATOM 0 HA PRO A 87 6.813 15.044 -29.549 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.038 17.830 -29.607 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.546 17.010 -28.139 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.307 17.943 -28.941 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.467 18.199 -27.425 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.288 16.247 -27.592 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.806 15.954 -26.704 1.00 0.00 H new ATOM 1535 N PRO A 88 7.067 16.120 -31.953 1.00 0.00 N ATOM 1536 CA PRO A 88 7.387 16.247 -33.387 1.00 0.00 C ATOM 1537 C PRO A 88 8.297 17.465 -33.655 1.00 0.00 C ATOM 1538 O PRO A 88 8.008 18.585 -33.213 1.00 0.00 O ATOM 1539 CB PRO A 88 5.997 16.369 -34.062 1.00 0.00 C ATOM 1540 CG PRO A 88 5.102 16.909 -32.988 1.00 0.00 C ATOM 1541 CD PRO A 88 5.603 16.295 -31.701 1.00 0.00 C ATOM 0 HA PRO A 88 7.954 15.403 -33.780 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.031 17.037 -34.923 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.645 15.402 -34.423 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.149 17.997 -32.948 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.062 16.641 -33.172 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.416 16.944 -30.846 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.114 15.344 -31.492 1.00 0.00 H new