USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 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+ -126:sc= 0.0967 (180deg=-0.0406) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0.00597 USER MOD Single : A 1 MET CE :methyl -158:sc= -1.6 (180deg=-2.22!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.667 X(o=-0.67,f=-0.57) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 21 TYR OH : rot -93:sc= 0.582 USER MOD Single : A 29 THR OG1 : rot 108:sc= 0.688 USER MOD Single : A 36 SER OG : rot 79:sc= 0.519 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 1.34 (180deg=1.12) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= -0.432 (180deg=-2.42!) USER MOD Single : A 63 ASN : amide:sc= 0.0412 X(o=0.041,f=-0.058) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.411 F(o=-1.1,f=-0.41) USER MOD Single : A 73 MET CE :methyl -106:sc= -0.0944 (180deg=-1.96!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 66:sc= 0.523 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 4.271 -7.615 -13.946 1.00 0.00 N ATOM 181 CA THR A 0 4.545 -6.290 -14.505 1.00 0.00 C ATOM 182 C THR A 0 6.054 -6.054 -14.615 1.00 0.00 C ATOM 183 O THR A 0 6.863 -6.895 -14.194 1.00 0.00 O ATOM 184 CB THR A 0 3.858 -5.178 -13.639 1.00 0.00 C ATOM 185 OG1 THR A 0 4.227 -5.325 -12.261 1.00 0.00 O ATOM 186 CG2 THR A 0 2.320 -5.201 -13.767 1.00 0.00 C ATOM 0 H1 THR A 0 3.635 -8.136 -14.583 1.00 0.00 H new ATOM 0 H2 THR A 0 5.163 -8.140 -13.843 1.00 0.00 H new ATOM 0 H3 THR A 0 3.820 -7.512 -13.014 1.00 0.00 H new ATOM 0 HA THR A 0 4.125 -6.241 -15.510 1.00 0.00 H new ATOM 0 HB THR A 0 4.208 -4.217 -14.017 1.00 0.00 H new ATOM 0 HG1 THR A 0 3.794 -4.625 -11.730 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.892 -4.412 -13.149 1.00 0.00 H new ATOM 0 HG22 THR A 0 2.039 -5.039 -14.808 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.942 -6.168 -13.435 1.00 0.00 H new ATOM 194 N MET A 1 6.420 -4.896 -15.165 1.00 0.00 N ATOM 195 CA MET A 1 7.805 -4.541 -15.472 1.00 0.00 C ATOM 196 C MET A 1 7.990 -3.026 -15.297 1.00 0.00 C ATOM 197 O MET A 1 7.153 -2.236 -15.763 1.00 0.00 O ATOM 198 CB MET A 1 8.157 -4.981 -16.921 1.00 0.00 C ATOM 199 CG MET A 1 7.314 -4.346 -18.025 1.00 0.00 C ATOM 200 SD MET A 1 7.861 -4.821 -19.670 1.00 0.00 S ATOM 201 CE MET A 1 6.795 -3.796 -20.669 1.00 0.00 C ATOM 0 H MET A 1 5.751 -4.167 -15.414 1.00 0.00 H new ATOM 0 HA MET A 1 8.479 -5.058 -14.789 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.205 -4.747 -17.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.055 -6.064 -16.988 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.272 -4.637 -17.894 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.356 -3.261 -17.931 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.712 -4.223 -21.669 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.806 -3.746 -20.213 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.215 -2.792 -20.737 1.00 0.00 H new ATOM 211 N GLU A 2 9.064 -2.632 -14.603 1.00 0.00 N ATOM 212 CA GLU A 2 9.366 -1.218 -14.327 1.00 0.00 C ATOM 213 C GLU A 2 10.103 -0.610 -15.530 1.00 0.00 C ATOM 214 O GLU A 2 10.941 -1.271 -16.140 1.00 0.00 O ATOM 215 CB GLU A 2 10.227 -1.075 -13.042 1.00 0.00 C ATOM 216 CG GLU A 2 10.099 0.301 -12.342 1.00 0.00 C ATOM 217 CD GLU A 2 8.823 0.455 -11.505 1.00 0.00 C ATOM 218 OE1 GLU A 2 8.472 -0.493 -10.772 1.00 0.00 O ATOM 219 OE2 GLU A 2 8.194 1.530 -11.537 1.00 0.00 O ATOM 0 H GLU A 2 9.749 -3.281 -14.216 1.00 0.00 H new ATOM 0 HA GLU A 2 8.430 -0.684 -14.165 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.941 -1.856 -12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.273 -1.244 -13.298 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.965 0.452 -11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.123 1.086 -13.098 1.00 0.00 H new ATOM 226 N LEU A 3 9.785 0.645 -15.868 1.00 0.00 N ATOM 227 CA LEU A 3 10.276 1.314 -17.084 1.00 0.00 C ATOM 228 C LEU A 3 10.583 2.788 -16.771 1.00 0.00 C ATOM 229 O LEU A 3 9.735 3.485 -16.220 1.00 0.00 O ATOM 230 CB LEU A 3 9.200 1.238 -18.207 1.00 0.00 C ATOM 231 CG LEU A 3 8.636 -0.177 -18.560 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.385 -0.068 -19.449 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.716 -1.055 -19.222 1.00 0.00 C ATOM 0 H LEU A 3 9.174 1.233 -15.301 1.00 0.00 H new ATOM 0 HA LEU A 3 11.183 0.813 -17.423 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.363 1.873 -17.917 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.626 1.668 -19.113 1.00 0.00 H new ATOM 0 HG LEU A 3 8.340 -0.661 -17.629 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.014 -1.067 -19.679 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.613 0.494 -18.923 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.641 0.446 -20.375 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.296 -2.033 -19.457 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.060 -0.578 -20.140 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.556 -1.175 -18.538 1.00 0.00 H new ATOM 245 N GLU A 4 11.777 3.257 -17.146 1.00 0.00 N ATOM 246 CA GLU A 4 12.178 4.661 -17.004 1.00 0.00 C ATOM 247 C GLU A 4 11.759 5.425 -18.270 1.00 0.00 C ATOM 248 O GLU A 4 12.407 5.314 -19.312 1.00 0.00 O ATOM 249 CB GLU A 4 13.714 4.769 -16.791 1.00 0.00 C ATOM 250 CG GLU A 4 14.239 6.212 -16.629 1.00 0.00 C ATOM 251 CD GLU A 4 15.778 6.293 -16.625 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.389 6.403 -17.711 1.00 0.00 O ATOM 253 OE2 GLU A 4 16.386 6.256 -15.540 1.00 0.00 O ATOM 0 H GLU A 4 12.499 2.668 -17.560 1.00 0.00 H new ATOM 0 HA GLU A 4 11.687 5.095 -16.133 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.986 4.195 -15.905 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.219 4.305 -17.638 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.850 6.828 -17.440 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.856 6.630 -15.698 1.00 0.00 H new ATOM 260 N LEU A 5 10.641 6.166 -18.177 1.00 0.00 N ATOM 261 CA LEU A 5 10.085 6.916 -19.313 1.00 0.00 C ATOM 262 C LEU A 5 10.582 8.359 -19.272 1.00 0.00 C ATOM 263 O LEU A 5 10.178 9.144 -18.413 1.00 0.00 O ATOM 264 CB LEU A 5 8.547 6.869 -19.297 1.00 0.00 C ATOM 265 CG LEU A 5 7.907 5.467 -19.094 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.381 5.577 -19.104 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.407 4.443 -20.141 1.00 0.00 C ATOM 0 H LEU A 5 10.101 6.261 -17.317 1.00 0.00 H new ATOM 0 HA LEU A 5 10.424 6.453 -20.240 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.192 7.526 -18.503 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.182 7.280 -20.238 1.00 0.00 H new ATOM 0 HG LEU A 5 8.221 5.093 -18.120 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.944 4.589 -18.961 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.058 6.236 -18.298 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.052 5.984 -20.060 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.934 3.478 -19.961 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.151 4.791 -21.142 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.489 4.338 -20.059 1.00 0.00 H new ATOM 279 N ARG A 6 11.475 8.685 -20.198 1.00 0.00 N ATOM 280 CA ARG A 6 12.137 9.975 -20.262 1.00 0.00 C ATOM 281 C ARG A 6 11.427 10.870 -21.278 1.00 0.00 C ATOM 282 O ARG A 6 11.382 10.557 -22.460 1.00 0.00 O ATOM 283 CB ARG A 6 13.623 9.774 -20.633 1.00 0.00 C ATOM 284 CG ARG A 6 14.384 8.821 -19.689 1.00 0.00 C ATOM 285 CD ARG A 6 15.896 8.793 -19.950 1.00 0.00 C ATOM 286 NE ARG A 6 16.246 8.262 -21.282 1.00 0.00 N ATOM 287 CZ ARG A 6 17.046 7.206 -21.507 1.00 0.00 C ATOM 288 NH1 ARG A 6 17.491 6.472 -20.497 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.350 6.862 -22.748 1.00 0.00 N ATOM 0 H ARG A 6 11.763 8.045 -20.938 1.00 0.00 H new ATOM 0 HA ARG A 6 12.090 10.465 -19.289 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.683 9.386 -21.650 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.121 10.744 -20.632 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.205 9.123 -18.657 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.984 7.813 -19.800 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.294 9.803 -19.853 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.379 8.185 -19.185 1.00 0.00 H new ATOM 0 HE ARG A 6 15.850 8.733 -22.095 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.227 6.707 -19.540 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.098 5.672 -20.676 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.977 7.398 -23.532 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.957 6.061 -22.921 1.00 0.00 H new ATOM 303 N PHE A 7 10.879 11.979 -20.792 1.00 0.00 N ATOM 304 CA PHE A 7 10.151 12.972 -21.604 1.00 0.00 C ATOM 305 C PHE A 7 11.054 14.163 -21.847 1.00 0.00 C ATOM 306 O PHE A 7 11.744 14.618 -20.934 1.00 0.00 O ATOM 307 CB PHE A 7 8.850 13.396 -20.879 1.00 0.00 C ATOM 308 CG PHE A 7 7.883 12.237 -20.688 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.035 11.355 -19.627 1.00 0.00 C ATOM 310 CD2 PHE A 7 6.848 12.005 -21.592 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.184 10.289 -19.473 1.00 0.00 C ATOM 312 CE2 PHE A 7 5.999 10.927 -21.436 1.00 0.00 C ATOM 313 CZ PHE A 7 6.172 10.068 -20.375 1.00 0.00 C ATOM 0 H PHE A 7 10.925 12.226 -19.803 1.00 0.00 H new ATOM 0 HA PHE A 7 9.871 12.539 -22.564 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.102 13.819 -19.906 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.359 14.183 -21.451 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.832 11.509 -18.915 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.708 12.677 -22.426 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.311 9.619 -18.636 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.202 10.759 -22.145 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.513 9.221 -20.252 1.00 0.00 H new ATOM 323 N PHE A 8 11.081 14.641 -23.096 1.00 0.00 N ATOM 324 CA PHE A 8 11.926 15.776 -23.499 1.00 0.00 C ATOM 325 C PHE A 8 11.096 16.799 -24.271 1.00 0.00 C ATOM 326 O PHE A 8 9.980 16.497 -24.712 1.00 0.00 O ATOM 327 CB PHE A 8 13.143 15.287 -24.316 1.00 0.00 C ATOM 328 CG PHE A 8 14.009 14.289 -23.550 1.00 0.00 C ATOM 329 CD1 PHE A 8 14.852 14.710 -22.520 1.00 0.00 C ATOM 330 CD2 PHE A 8 13.946 12.928 -23.827 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.607 13.801 -21.804 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.705 12.024 -23.122 1.00 0.00 C ATOM 333 CZ PHE A 8 15.531 12.455 -22.102 1.00 0.00 C ATOM 0 H PHE A 8 10.520 14.255 -23.856 1.00 0.00 H new ATOM 0 HA PHE A 8 12.314 16.267 -22.606 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.793 14.824 -25.239 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.752 16.145 -24.601 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.915 15.761 -22.279 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.290 12.575 -24.609 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.256 14.143 -21.012 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.655 10.973 -23.366 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.115 11.742 -21.540 1.00 0.00 H new ATOM 343 N ALA A 9 11.638 18.029 -24.345 1.00 0.00 N ATOM 344 CA ALA A 9 11.038 19.154 -25.070 1.00 0.00 C ATOM 345 C ALA A 9 9.611 19.500 -24.531 1.00 0.00 C ATOM 346 O ALA A 9 9.472 19.783 -23.334 1.00 0.00 O ATOM 347 CB ALA A 9 11.087 18.877 -26.580 1.00 0.00 C ATOM 0 H ALA A 9 12.521 18.268 -23.893 1.00 0.00 H new ATOM 0 HA ALA A 9 11.623 20.056 -24.891 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.641 19.713 -27.118 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.124 18.755 -26.894 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.531 17.966 -26.801 1.00 0.00 H new ATOM 353 N THR A 10 8.563 19.442 -25.392 1.00 0.00 N ATOM 354 CA THR A 10 7.173 19.758 -25.001 1.00 0.00 C ATOM 355 C THR A 10 6.587 18.652 -24.105 1.00 0.00 C ATOM 356 O THR A 10 5.945 18.943 -23.101 1.00 0.00 O ATOM 357 CB THR A 10 6.272 19.960 -26.265 1.00 0.00 C ATOM 358 OG1 THR A 10 6.923 20.863 -27.175 1.00 0.00 O ATOM 359 CG2 THR A 10 4.872 20.504 -25.908 1.00 0.00 C ATOM 0 H THR A 10 8.661 19.176 -26.372 1.00 0.00 H new ATOM 0 HA THR A 10 7.191 20.688 -24.433 1.00 0.00 H new ATOM 0 HB THR A 10 6.133 18.984 -26.730 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.361 20.990 -27.968 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.286 20.627 -26.819 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.368 19.802 -25.244 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.973 21.468 -25.409 1.00 0.00 H new ATOM 367 N PHE A 11 6.860 17.372 -24.451 1.00 0.00 N ATOM 368 CA PHE A 11 6.366 16.208 -23.668 1.00 0.00 C ATOM 369 C PHE A 11 6.904 16.251 -22.218 1.00 0.00 C ATOM 370 O PHE A 11 6.272 15.721 -21.296 1.00 0.00 O ATOM 371 CB PHE A 11 6.769 14.860 -24.341 1.00 0.00 C ATOM 372 CG PHE A 11 6.039 14.496 -25.646 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.084 15.333 -26.222 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.321 13.290 -26.291 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.431 14.965 -27.382 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.665 12.929 -27.453 1.00 0.00 C ATOM 377 CZ PHE A 11 4.727 13.769 -28.000 1.00 0.00 C ATOM 0 H PHE A 11 7.418 17.116 -25.265 1.00 0.00 H new ATOM 0 HA PHE A 11 5.278 16.270 -23.644 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.839 14.888 -24.546 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.603 14.057 -23.622 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.852 16.279 -25.756 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.065 12.627 -25.874 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.684 15.618 -27.808 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.890 11.987 -27.930 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.222 13.493 -28.914 1.00 0.00 H new ATOM 387 N ARG A 12 8.077 16.901 -22.043 1.00 0.00 N ATOM 388 CA ARG A 12 8.735 17.057 -20.733 1.00 0.00 C ATOM 389 C ARG A 12 7.919 17.966 -19.812 1.00 0.00 C ATOM 390 O ARG A 12 7.714 17.641 -18.638 1.00 0.00 O ATOM 391 CB ARG A 12 10.176 17.611 -20.904 1.00 0.00 C ATOM 392 CG ARG A 12 11.091 17.526 -19.640 1.00 0.00 C ATOM 393 CD ARG A 12 11.459 18.878 -19.002 1.00 0.00 C ATOM 394 NE ARG A 12 10.302 19.551 -18.382 1.00 0.00 N ATOM 395 CZ ARG A 12 10.156 20.880 -18.251 1.00 0.00 C ATOM 396 NH1 ARG A 12 11.018 21.723 -18.811 1.00 0.00 N ATOM 397 NH2 ARG A 12 9.125 21.359 -17.580 1.00 0.00 N ATOM 0 H ARG A 12 8.592 17.332 -22.811 1.00 0.00 H new ATOM 0 HA ARG A 12 8.796 16.072 -20.271 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.660 17.069 -21.717 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.110 18.654 -21.212 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.591 16.913 -18.890 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.011 17.009 -19.912 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.229 18.721 -18.247 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.887 19.530 -19.764 1.00 0.00 H new ATOM 0 HE ARG A 12 9.552 18.959 -18.024 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.806 21.364 -19.350 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.892 22.729 -18.701 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.446 20.721 -17.165 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.008 22.367 -17.476 1.00 0.00 H new ATOM 411 N GLU A 13 7.482 19.130 -20.345 1.00 0.00 N ATOM 412 CA GLU A 13 6.716 20.120 -19.561 1.00 0.00 C ATOM 413 C GLU A 13 5.269 19.662 -19.317 1.00 0.00 C ATOM 414 O GLU A 13 4.633 20.112 -18.360 1.00 0.00 O ATOM 415 CB GLU A 13 6.820 21.554 -20.177 1.00 0.00 C ATOM 416 CG GLU A 13 6.279 21.752 -21.617 1.00 0.00 C ATOM 417 CD GLU A 13 4.749 21.925 -21.713 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.228 22.912 -21.150 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.068 21.109 -22.362 1.00 0.00 O ATOM 0 H GLU A 13 7.648 19.404 -21.313 1.00 0.00 H new ATOM 0 HA GLU A 13 7.175 20.186 -18.574 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.289 22.242 -19.520 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.869 21.850 -20.167 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.758 22.629 -22.053 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.573 20.894 -22.222 1.00 0.00 H new ATOM 426 N VAL A 14 4.762 18.760 -20.180 1.00 0.00 N ATOM 427 CA VAL A 14 3.465 18.085 -19.966 1.00 0.00 C ATOM 428 C VAL A 14 3.486 17.274 -18.653 1.00 0.00 C ATOM 429 O VAL A 14 2.642 17.461 -17.764 1.00 0.00 O ATOM 430 CB VAL A 14 3.108 17.131 -21.164 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.848 16.308 -20.847 1.00 0.00 C ATOM 432 CG2 VAL A 14 2.941 17.914 -22.488 1.00 0.00 C ATOM 0 H VAL A 14 5.235 18.480 -21.039 1.00 0.00 H new ATOM 0 HA VAL A 14 2.702 18.861 -19.902 1.00 0.00 H new ATOM 0 HB VAL A 14 3.942 16.443 -21.298 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.619 15.655 -21.689 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.022 15.704 -19.956 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.009 16.981 -20.671 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.695 17.221 -23.292 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.139 18.644 -22.380 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.871 18.430 -22.726 1.00 0.00 H new ATOM 442 N VAL A 15 4.477 16.381 -18.564 1.00 0.00 N ATOM 443 CA VAL A 15 4.689 15.502 -17.401 1.00 0.00 C ATOM 444 C VAL A 15 5.302 16.288 -16.219 1.00 0.00 C ATOM 445 O VAL A 15 5.180 15.888 -15.058 1.00 0.00 O ATOM 446 CB VAL A 15 5.575 14.269 -17.832 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.919 13.324 -16.652 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.855 13.487 -18.961 1.00 0.00 C ATOM 0 H VAL A 15 5.165 16.244 -19.305 1.00 0.00 H new ATOM 0 HA VAL A 15 3.730 15.121 -17.050 1.00 0.00 H new ATOM 0 HB VAL A 15 6.525 14.662 -18.194 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.530 12.497 -17.014 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.471 13.877 -15.892 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.998 12.933 -16.219 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.466 12.635 -19.260 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.890 13.133 -18.600 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.703 14.143 -19.818 1.00 0.00 H new ATOM 458 N GLY A 16 5.921 17.442 -16.536 1.00 0.00 N ATOM 459 CA GLY A 16 6.509 18.329 -15.529 1.00 0.00 C ATOM 460 C GLY A 16 7.877 17.873 -15.047 1.00 0.00 C ATOM 461 O GLY A 16 8.392 18.409 -14.061 1.00 0.00 O ATOM 0 H GLY A 16 6.024 17.779 -17.493 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.595 19.333 -15.945 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.835 18.395 -14.675 1.00 0.00 H new ATOM 465 N GLN A 17 8.471 16.892 -15.758 1.00 0.00 N ATOM 466 CA GLN A 17 9.789 16.317 -15.419 1.00 0.00 C ATOM 467 C GLN A 17 10.359 15.531 -16.608 1.00 0.00 C ATOM 468 O GLN A 17 9.610 15.099 -17.499 1.00 0.00 O ATOM 469 CB GLN A 17 9.714 15.433 -14.141 1.00 0.00 C ATOM 470 CG GLN A 17 8.660 14.313 -14.168 1.00 0.00 C ATOM 471 CD GLN A 17 8.486 13.591 -12.817 1.00 0.00 C ATOM 472 OE1 GLN A 17 7.383 13.158 -12.477 1.00 0.00 O ATOM 473 NE2 GLN A 17 9.567 13.422 -12.057 1.00 0.00 N ATOM 0 H GLN A 17 8.048 16.475 -16.587 1.00 0.00 H new ATOM 0 HA GLN A 17 10.468 17.141 -15.201 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.693 14.982 -13.975 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.511 16.078 -13.286 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.702 14.736 -14.470 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.939 13.582 -14.927 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.468 13.791 -12.362 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.494 12.924 -11.170 1.00 0.00 H new ATOM 482 N LYS A 18 11.698 15.353 -16.605 1.00 0.00 N ATOM 483 CA LYS A 18 12.455 14.817 -17.758 1.00 0.00 C ATOM 484 C LYS A 18 12.486 13.287 -17.800 1.00 0.00 C ATOM 485 O LYS A 18 12.790 12.714 -18.841 1.00 0.00 O ATOM 486 CB LYS A 18 13.900 15.374 -17.765 1.00 0.00 C ATOM 487 CG LYS A 18 14.746 15.014 -16.522 1.00 0.00 C ATOM 488 CD LYS A 18 16.221 15.455 -16.652 1.00 0.00 C ATOM 489 CE LYS A 18 16.940 14.759 -17.828 1.00 0.00 C ATOM 490 NZ LYS A 18 18.392 15.053 -17.865 1.00 0.00 N ATOM 0 H LYS A 18 12.286 15.577 -15.802 1.00 0.00 H new ATOM 0 HA LYS A 18 11.927 15.149 -18.652 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.412 15.004 -18.653 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.854 16.460 -17.853 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.308 15.484 -15.642 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.707 13.937 -16.361 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.264 16.535 -16.791 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.748 15.232 -15.724 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.793 13.682 -17.752 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.485 15.077 -18.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.825 14.562 -18.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.536 16.078 -17.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.835 14.726 -16.983 1.00 0.00 H new ATOM 504 N SER A 19 12.220 12.639 -16.663 1.00 0.00 N ATOM 505 CA SER A 19 12.185 11.170 -16.561 1.00 0.00 C ATOM 506 C SER A 19 11.233 10.764 -15.422 1.00 0.00 C ATOM 507 O SER A 19 11.096 11.493 -14.428 1.00 0.00 O ATOM 508 CB SER A 19 13.600 10.583 -16.281 1.00 0.00 C ATOM 509 OG SER A 19 14.596 11.111 -17.152 1.00 0.00 O ATOM 0 H SER A 19 12.022 13.115 -15.783 1.00 0.00 H new ATOM 0 HA SER A 19 11.834 10.771 -17.513 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.878 10.793 -15.248 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.567 9.499 -16.388 1.00 0.00 H new ATOM 0 HG SER A 19 15.465 10.713 -16.935 1.00 0.00 H new ATOM 515 N ILE A 20 10.573 9.611 -15.587 1.00 0.00 N ATOM 516 CA ILE A 20 9.721 8.979 -14.553 1.00 0.00 C ATOM 517 C ILE A 20 10.004 7.474 -14.534 1.00 0.00 C ATOM 518 O ILE A 20 10.760 6.972 -15.369 1.00 0.00 O ATOM 519 CB ILE A 20 8.177 9.219 -14.809 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.706 8.515 -16.118 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.845 10.723 -14.865 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.254 8.763 -16.486 1.00 0.00 C ATOM 0 H ILE A 20 10.612 9.076 -16.455 1.00 0.00 H new ATOM 0 HA ILE A 20 9.965 9.437 -13.594 1.00 0.00 H new ATOM 0 HB ILE A 20 7.639 8.780 -13.969 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.337 8.849 -16.941 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.861 7.441 -16.013 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.777 10.854 -15.042 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.116 11.191 -13.918 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.407 11.190 -15.674 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.017 8.234 -17.409 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.609 8.402 -15.685 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.092 9.831 -16.628 1.00 0.00 H new ATOM 534 N TYR A 21 9.407 6.765 -13.570 1.00 0.00 N ATOM 535 CA TYR A 21 9.358 5.297 -13.574 1.00 0.00 C ATOM 536 C TYR A 21 7.891 4.854 -13.527 1.00 0.00 C ATOM 537 O TYR A 21 7.180 5.119 -12.550 1.00 0.00 O ATOM 538 CB TYR A 21 10.163 4.690 -12.394 1.00 0.00 C ATOM 539 CG TYR A 21 11.692 4.802 -12.546 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.391 5.914 -12.069 1.00 0.00 C ATOM 541 CD2 TYR A 21 12.436 3.784 -13.159 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.767 5.997 -12.184 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.809 3.870 -13.275 1.00 0.00 C ATOM 544 CZ TYR A 21 14.468 4.975 -12.791 1.00 0.00 C ATOM 545 OH TYR A 21 15.841 5.050 -12.895 1.00 0.00 O ATOM 0 H TYR A 21 8.945 7.190 -12.766 1.00 0.00 H new ATOM 0 HA TYR A 21 9.824 4.929 -14.488 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.864 5.187 -11.471 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.896 3.638 -12.290 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.848 6.722 -11.603 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.925 2.916 -13.548 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.291 6.859 -11.800 1.00 0.00 H new ATOM 0 HE2 TYR A 21 14.364 3.071 -13.745 1.00 0.00 H new ATOM 0 HH TYR A 21 16.083 5.444 -13.759 1.00 0.00 H new ATOM 555 N TRP A 22 7.446 4.239 -14.625 1.00 0.00 N ATOM 556 CA TRP A 22 6.142 3.568 -14.744 1.00 0.00 C ATOM 557 C TRP A 22 6.325 2.065 -14.541 1.00 0.00 C ATOM 558 O TRP A 22 7.449 1.570 -14.478 1.00 0.00 O ATOM 559 CB TRP A 22 5.524 3.838 -16.147 1.00 0.00 C ATOM 560 CG TRP A 22 4.408 4.853 -16.185 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.330 6.054 -15.543 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.216 4.735 -16.951 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.167 6.697 -15.890 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.462 5.899 -16.750 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.722 3.738 -17.794 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.238 6.100 -17.376 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.511 3.933 -18.402 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.782 5.107 -18.196 1.00 0.00 C ATOM 0 H TRP A 22 7.996 4.191 -15.483 1.00 0.00 H new ATOM 0 HA TRP A 22 5.468 3.960 -13.983 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.318 4.172 -16.815 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.148 2.896 -16.546 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.073 6.442 -14.862 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.876 7.618 -15.561 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.284 2.831 -17.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.670 7.005 -17.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.113 3.167 -19.051 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.166 5.233 -18.698 1.00 0.00 H new ATOM 579 N ARG A 23 5.199 1.353 -14.471 1.00 0.00 N ATOM 580 CA ARG A 23 5.183 -0.102 -14.376 1.00 0.00 C ATOM 581 C ARG A 23 3.860 -0.636 -14.960 1.00 0.00 C ATOM 582 O ARG A 23 2.786 -0.473 -14.372 1.00 0.00 O ATOM 583 CB ARG A 23 5.420 -0.532 -12.898 1.00 0.00 C ATOM 584 CG ARG A 23 5.395 -2.048 -12.639 1.00 0.00 C ATOM 585 CD ARG A 23 5.654 -2.409 -11.166 1.00 0.00 C ATOM 586 NE ARG A 23 4.644 -1.832 -10.249 1.00 0.00 N ATOM 587 CZ ARG A 23 4.897 -0.943 -9.274 1.00 0.00 C ATOM 588 NH1 ARG A 23 6.092 -0.384 -9.146 1.00 0.00 N ATOM 589 NH2 ARG A 23 3.933 -0.575 -8.453 1.00 0.00 N ATOM 0 H ARG A 23 4.270 1.774 -14.479 1.00 0.00 H new ATOM 0 HA ARG A 23 5.991 -0.538 -14.963 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.385 -0.141 -12.574 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.660 -0.062 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.426 -2.447 -12.941 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.147 -2.530 -13.264 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.659 -3.494 -11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.644 -2.055 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 23 3.677 -2.134 -10.367 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.841 -0.627 -9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.263 0.289 -8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.997 -0.965 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.124 0.100 -7.712 1.00 0.00 H new ATOM 603 N VAL A 24 3.974 -1.223 -16.165 1.00 0.00 N ATOM 604 CA VAL A 24 2.877 -1.892 -16.894 1.00 0.00 C ATOM 605 C VAL A 24 3.214 -3.385 -17.017 1.00 0.00 C ATOM 606 O VAL A 24 4.322 -3.792 -16.682 1.00 0.00 O ATOM 607 CB VAL A 24 2.647 -1.270 -18.334 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.151 0.197 -18.255 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.922 -1.384 -19.213 1.00 0.00 C ATOM 0 H VAL A 24 4.857 -1.247 -16.675 1.00 0.00 H new ATOM 0 HA VAL A 24 1.953 -1.748 -16.334 1.00 0.00 H new ATOM 0 HB VAL A 24 1.861 -1.854 -18.812 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.006 0.587 -19.263 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.206 0.233 -17.712 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.892 0.804 -17.735 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.728 -0.948 -20.193 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.743 -0.850 -18.734 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.191 -2.434 -19.330 1.00 0.00 H new ATOM 619 N ASP A 25 2.269 -4.186 -17.528 1.00 0.00 N ATOM 620 CA ASP A 25 2.416 -5.658 -17.625 1.00 0.00 C ATOM 621 C ASP A 25 3.537 -6.066 -18.620 1.00 0.00 C ATOM 622 O ASP A 25 3.947 -5.263 -19.462 1.00 0.00 O ATOM 623 CB ASP A 25 1.062 -6.288 -18.024 1.00 0.00 C ATOM 624 CG ASP A 25 1.070 -7.825 -17.959 1.00 0.00 C ATOM 625 OD1 ASP A 25 1.180 -8.366 -16.838 1.00 0.00 O ATOM 626 OD2 ASP A 25 0.973 -8.486 -19.012 1.00 0.00 O ATOM 0 H ASP A 25 1.380 -3.839 -17.887 1.00 0.00 H new ATOM 0 HA ASP A 25 2.713 -6.037 -16.647 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.282 -5.906 -17.365 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.806 -5.974 -19.036 1.00 0.00 H new ATOM 631 N ASP A 26 4.026 -7.320 -18.509 1.00 0.00 N ATOM 632 CA ASP A 26 5.149 -7.828 -19.334 1.00 0.00 C ATOM 633 C ASP A 26 4.709 -8.113 -20.785 1.00 0.00 C ATOM 634 O ASP A 26 5.548 -8.144 -21.688 1.00 0.00 O ATOM 635 CB ASP A 26 5.782 -9.100 -18.690 1.00 0.00 C ATOM 636 CG ASP A 26 5.010 -10.411 -18.945 1.00 0.00 C ATOM 637 OD1 ASP A 26 3.817 -10.492 -18.595 1.00 0.00 O ATOM 638 OD2 ASP A 26 5.603 -11.369 -19.496 1.00 0.00 O ATOM 0 H ASP A 26 3.658 -8.006 -17.850 1.00 0.00 H new ATOM 0 HA ASP A 26 5.907 -7.045 -19.368 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.798 -9.214 -19.069 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.859 -8.944 -17.614 1.00 0.00 H new ATOM 643 N ASP A 27 3.394 -8.330 -21.000 1.00 0.00 N ATOM 644 CA ASP A 27 2.824 -8.525 -22.360 1.00 0.00 C ATOM 645 C ASP A 27 2.608 -7.169 -23.058 1.00 0.00 C ATOM 646 O ASP A 27 2.426 -7.113 -24.281 1.00 0.00 O ATOM 647 CB ASP A 27 1.480 -9.308 -22.307 1.00 0.00 C ATOM 648 CG ASP A 27 1.627 -10.772 -21.858 1.00 0.00 C ATOM 649 OD1 ASP A 27 2.093 -11.602 -22.671 1.00 0.00 O ATOM 650 OD2 ASP A 27 1.255 -11.111 -20.714 1.00 0.00 O ATOM 0 H ASP A 27 2.703 -8.375 -20.252 1.00 0.00 H new ATOM 0 HA ASP A 27 3.542 -9.113 -22.933 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.800 -8.796 -21.626 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.019 -9.286 -23.295 1.00 0.00 H new ATOM 655 N ALA A 28 2.622 -6.084 -22.267 1.00 0.00 N ATOM 656 CA ALA A 28 2.605 -4.709 -22.783 1.00 0.00 C ATOM 657 C ALA A 28 3.973 -4.371 -23.395 1.00 0.00 C ATOM 658 O ALA A 28 4.996 -4.942 -22.997 1.00 0.00 O ATOM 659 CB ALA A 28 2.246 -3.726 -21.661 1.00 0.00 C ATOM 0 H ALA A 28 2.646 -6.138 -21.249 1.00 0.00 H new ATOM 0 HA ALA A 28 1.846 -4.623 -23.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.237 -2.710 -22.056 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.260 -3.970 -21.265 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.986 -3.798 -20.864 1.00 0.00 H new ATOM 665 N THR A 29 3.977 -3.470 -24.382 1.00 0.00 N ATOM 666 CA THR A 29 5.204 -2.998 -25.065 1.00 0.00 C ATOM 667 C THR A 29 5.221 -1.453 -25.111 1.00 0.00 C ATOM 668 O THR A 29 4.337 -0.813 -24.533 1.00 0.00 O ATOM 669 CB THR A 29 5.313 -3.594 -26.507 1.00 0.00 C ATOM 670 OG1 THR A 29 4.129 -3.282 -27.253 1.00 0.00 O ATOM 671 CG2 THR A 29 5.513 -5.115 -26.502 1.00 0.00 C ATOM 0 H THR A 29 3.125 -3.038 -24.739 1.00 0.00 H new ATOM 0 HA THR A 29 6.068 -3.345 -24.498 1.00 0.00 H new ATOM 0 HB THR A 29 6.190 -3.144 -26.971 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.338 -2.607 -27.932 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.582 -5.476 -27.528 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.432 -5.359 -25.968 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.667 -5.592 -26.006 1.00 0.00 H new ATOM 679 N VAL A 30 6.235 -0.873 -25.807 1.00 0.00 N ATOM 680 CA VAL A 30 6.450 0.601 -25.922 1.00 0.00 C ATOM 681 C VAL A 30 5.155 1.331 -26.364 1.00 0.00 C ATOM 682 O VAL A 30 4.836 2.417 -25.866 1.00 0.00 O ATOM 683 CB VAL A 30 7.621 0.918 -26.937 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.872 2.445 -27.082 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.927 0.183 -26.537 1.00 0.00 C ATOM 0 H VAL A 30 6.935 -1.418 -26.310 1.00 0.00 H new ATOM 0 HA VAL A 30 6.727 0.968 -24.934 1.00 0.00 H new ATOM 0 HB VAL A 30 7.303 0.546 -27.911 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.684 2.615 -27.789 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.966 2.930 -27.447 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.141 2.863 -26.112 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.713 0.421 -27.254 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.235 0.504 -25.542 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.753 -0.893 -26.534 1.00 0.00 H new ATOM 695 N GLY A 31 4.404 0.669 -27.255 1.00 0.00 N ATOM 696 CA GLY A 31 3.162 1.201 -27.801 1.00 0.00 C ATOM 697 C GLY A 31 2.015 1.243 -26.795 1.00 0.00 C ATOM 698 O GLY A 31 1.228 2.189 -26.789 1.00 0.00 O ATOM 0 H GLY A 31 4.648 -0.254 -27.614 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.343 2.209 -28.174 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.862 0.594 -28.655 1.00 0.00 H new ATOM 702 N ASP A 32 1.908 0.193 -25.964 1.00 0.00 N ATOM 703 CA ASP A 32 0.897 0.120 -24.886 1.00 0.00 C ATOM 704 C ASP A 32 1.203 1.157 -23.787 1.00 0.00 C ATOM 705 O ASP A 32 0.288 1.686 -23.145 1.00 0.00 O ATOM 706 CB ASP A 32 0.846 -1.305 -24.285 1.00 0.00 C ATOM 707 CG ASP A 32 -0.262 -1.485 -23.225 1.00 0.00 C ATOM 708 OD1 ASP A 32 -1.401 -1.852 -23.589 1.00 0.00 O ATOM 709 OD2 ASP A 32 0.001 -1.265 -22.017 1.00 0.00 O ATOM 0 H ASP A 32 2.514 -0.626 -26.016 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.079 0.349 -25.315 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.690 -2.025 -25.089 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.811 -1.536 -23.834 1.00 0.00 H new ATOM 714 N VAL A 33 2.503 1.434 -23.592 1.00 0.00 N ATOM 715 CA VAL A 33 2.976 2.438 -22.635 1.00 0.00 C ATOM 716 C VAL A 33 2.453 3.831 -23.013 1.00 0.00 C ATOM 717 O VAL A 33 1.678 4.413 -22.245 1.00 0.00 O ATOM 718 CB VAL A 33 4.548 2.403 -22.543 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.114 3.575 -21.723 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.018 1.057 -21.949 1.00 0.00 C ATOM 0 H VAL A 33 3.255 0.964 -24.097 1.00 0.00 H new ATOM 0 HA VAL A 33 2.582 2.203 -21.646 1.00 0.00 H new ATOM 0 HB VAL A 33 4.933 2.506 -23.558 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.201 3.504 -21.690 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.825 4.517 -22.188 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.717 3.535 -20.709 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.106 1.045 -21.891 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.600 0.934 -20.950 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.680 0.240 -22.587 1.00 0.00 H new ATOM 730 N LEU A 34 2.797 4.327 -24.224 1.00 0.00 N ATOM 731 CA LEU A 34 2.339 5.658 -24.688 1.00 0.00 C ATOM 732 C LEU A 34 0.803 5.693 -24.847 1.00 0.00 C ATOM 733 O LEU A 34 0.178 6.723 -24.597 1.00 0.00 O ATOM 734 CB LEU A 34 3.121 6.156 -25.953 1.00 0.00 C ATOM 735 CG LEU A 34 3.419 5.128 -27.106 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.221 4.921 -28.046 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.685 5.534 -27.903 1.00 0.00 C ATOM 0 H LEU A 34 3.385 3.830 -24.893 1.00 0.00 H new ATOM 0 HA LEU A 34 2.582 6.384 -23.912 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.559 6.984 -26.385 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.075 6.560 -25.615 1.00 0.00 H new ATOM 0 HG LEU A 34 3.606 4.169 -26.623 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.486 4.202 -28.821 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.372 4.544 -27.476 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.953 5.871 -28.509 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.867 4.806 -28.693 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.536 6.519 -28.345 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.544 5.563 -27.232 1.00 0.00 H new ATOM 749 N ARG A 35 0.199 4.543 -25.195 1.00 0.00 N ATOM 750 CA ARG A 35 -1.274 4.381 -25.197 1.00 0.00 C ATOM 751 C ARG A 35 -1.891 4.818 -23.846 1.00 0.00 C ATOM 752 O ARG A 35 -2.852 5.590 -23.801 1.00 0.00 O ATOM 753 CB ARG A 35 -1.647 2.899 -25.558 1.00 0.00 C ATOM 754 CG ARG A 35 -3.092 2.430 -25.223 1.00 0.00 C ATOM 755 CD ARG A 35 -4.168 3.404 -25.733 1.00 0.00 C ATOM 756 NE ARG A 35 -5.498 3.132 -25.157 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.311 4.068 -24.628 1.00 0.00 C ATOM 758 NH1 ARG A 35 -5.979 5.362 -24.646 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.459 3.706 -24.082 1.00 0.00 N ATOM 0 H ARG A 35 0.707 3.706 -25.480 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.698 5.035 -25.959 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.486 2.760 -26.627 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.949 2.239 -25.042 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.261 1.447 -25.662 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.192 2.318 -24.143 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.873 4.425 -25.490 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.226 3.339 -26.819 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.826 2.166 -25.159 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.097 5.656 -25.065 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.608 6.055 -24.241 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.726 2.722 -24.062 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.077 4.411 -23.680 1.00 0.00 H new ATOM 773 N SER A 36 -1.334 4.302 -22.774 1.00 0.00 N ATOM 774 CA SER A 36 -1.797 4.575 -21.419 1.00 0.00 C ATOM 775 C SER A 36 -1.372 5.986 -20.923 1.00 0.00 C ATOM 776 O SER A 36 -2.075 6.585 -20.102 1.00 0.00 O ATOM 777 CB SER A 36 -1.319 3.452 -20.514 1.00 0.00 C ATOM 778 OG SER A 36 -1.719 2.189 -21.012 1.00 0.00 O ATOM 0 H SER A 36 -0.534 3.670 -22.812 1.00 0.00 H new ATOM 0 HA SER A 36 -2.887 4.598 -21.401 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.233 3.486 -20.431 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.720 3.594 -19.511 1.00 0.00 H new ATOM 0 HG SER A 36 -1.117 1.917 -21.736 1.00 0.00 H new ATOM 784 N LEU A 37 -0.198 6.485 -21.378 1.00 0.00 N ATOM 785 CA LEU A 37 0.331 7.825 -20.979 1.00 0.00 C ATOM 786 C LEU A 37 -0.673 8.971 -21.249 1.00 0.00 C ATOM 787 O LEU A 37 -0.769 9.895 -20.452 1.00 0.00 O ATOM 788 CB LEU A 37 1.706 8.139 -21.676 1.00 0.00 C ATOM 789 CG LEU A 37 2.995 7.915 -20.824 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.976 8.751 -19.528 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.213 6.437 -20.522 1.00 0.00 C ATOM 0 H LEU A 37 0.408 5.982 -22.025 1.00 0.00 H new ATOM 0 HA LEU A 37 0.488 7.772 -19.902 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.780 7.524 -22.573 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.691 9.179 -22.003 1.00 0.00 H new ATOM 0 HG LEU A 37 3.838 8.260 -21.422 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.890 8.567 -18.963 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.911 9.810 -19.779 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.113 8.468 -18.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.119 6.317 -19.927 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.360 6.050 -19.966 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.317 5.886 -21.457 1.00 0.00 H new ATOM 803 N GLU A 38 -1.394 8.910 -22.379 1.00 0.00 N ATOM 804 CA GLU A 38 -2.423 9.928 -22.721 1.00 0.00 C ATOM 805 C GLU A 38 -3.691 9.762 -21.866 1.00 0.00 C ATOM 806 O GLU A 38 -4.407 10.738 -21.602 1.00 0.00 O ATOM 807 CB GLU A 38 -2.802 9.846 -24.211 1.00 0.00 C ATOM 808 CG GLU A 38 -3.314 8.463 -24.660 1.00 0.00 C ATOM 809 CD GLU A 38 -3.989 8.427 -26.035 1.00 0.00 C ATOM 810 OE1 GLU A 38 -4.493 9.482 -26.499 1.00 0.00 O ATOM 811 OE2 GLU A 38 -4.060 7.333 -26.640 1.00 0.00 O ATOM 0 H GLU A 38 -1.291 8.172 -23.076 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.986 10.904 -22.511 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.570 10.590 -24.420 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.931 10.110 -24.811 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.474 7.768 -24.668 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.022 8.098 -23.917 1.00 0.00 H new ATOM 818 N ALA A 39 -3.966 8.510 -21.460 1.00 0.00 N ATOM 819 CA ALA A 39 -5.109 8.166 -20.589 1.00 0.00 C ATOM 820 C ALA A 39 -4.943 8.798 -19.184 1.00 0.00 C ATOM 821 O ALA A 39 -5.904 8.922 -18.418 1.00 0.00 O ATOM 822 CB ALA A 39 -5.243 6.638 -20.503 1.00 0.00 C ATOM 0 H ALA A 39 -3.401 7.704 -21.727 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.024 8.574 -21.019 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.086 6.382 -19.861 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.410 6.231 -21.500 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.328 6.215 -20.087 1.00 0.00 H new ATOM 828 N GLU A 40 -3.694 9.180 -18.869 1.00 0.00 N ATOM 829 CA GLU A 40 -3.339 9.947 -17.671 1.00 0.00 C ATOM 830 C GLU A 40 -3.273 11.440 -18.007 1.00 0.00 C ATOM 831 O GLU A 40 -3.995 12.264 -17.434 1.00 0.00 O ATOM 832 CB GLU A 40 -1.957 9.487 -17.163 1.00 0.00 C ATOM 833 CG GLU A 40 -1.850 7.995 -16.862 1.00 0.00 C ATOM 834 CD GLU A 40 -2.676 7.557 -15.640 1.00 0.00 C ATOM 835 OE1 GLU A 40 -2.225 7.802 -14.494 1.00 0.00 O ATOM 836 OE2 GLU A 40 -3.775 6.989 -15.813 1.00 0.00 O ATOM 0 H GLU A 40 -2.889 8.958 -19.455 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.095 9.781 -16.904 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.206 9.748 -17.909 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.714 10.044 -16.258 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.180 7.431 -17.735 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.804 7.740 -16.694 1.00 0.00 H new ATOM 843 N TYR A 41 -2.391 11.762 -18.969 1.00 0.00 N ATOM 844 CA TYR A 41 -1.972 13.128 -19.280 1.00 0.00 C ATOM 845 C TYR A 41 -2.793 13.703 -20.443 1.00 0.00 C ATOM 846 O TYR A 41 -2.718 13.207 -21.576 1.00 0.00 O ATOM 847 CB TYR A 41 -0.458 13.171 -19.626 1.00 0.00 C ATOM 848 CG TYR A 41 0.466 12.847 -18.443 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.880 13.850 -17.562 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.920 11.548 -18.205 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.708 13.570 -16.498 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.751 11.266 -17.137 1.00 0.00 C ATOM 853 CZ TYR A 41 2.142 12.281 -16.290 1.00 0.00 C ATOM 854 OH TYR A 41 2.971 12.009 -15.225 1.00 0.00 O ATOM 0 H TYR A 41 -1.944 11.061 -19.561 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.148 13.741 -18.396 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.260 12.464 -20.432 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.211 14.163 -20.005 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.544 14.864 -17.719 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.617 10.750 -18.867 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.016 14.360 -15.829 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.092 10.256 -16.967 1.00 0.00 H new ATOM 0 HH TYR A 41 3.187 11.053 -15.215 1.00 0.00 H new ATOM 864 N ASP A 42 -3.562 14.758 -20.144 1.00 0.00 N ATOM 865 CA ASP A 42 -4.358 15.507 -21.138 1.00 0.00 C ATOM 866 C ASP A 42 -3.429 16.255 -22.126 1.00 0.00 C ATOM 867 O ASP A 42 -3.763 16.442 -23.305 1.00 0.00 O ATOM 868 CB ASP A 42 -5.297 16.500 -20.403 1.00 0.00 C ATOM 869 CG ASP A 42 -6.237 17.278 -21.348 1.00 0.00 C ATOM 870 OD1 ASP A 42 -7.174 16.661 -21.905 1.00 0.00 O ATOM 871 OD2 ASP A 42 -6.040 18.502 -21.544 1.00 0.00 O ATOM 0 H ASP A 42 -3.653 15.123 -19.196 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.963 14.808 -21.715 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.898 15.950 -19.679 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.691 17.211 -19.841 1.00 0.00 H new ATOM 876 N GLY A 43 -2.239 16.651 -21.619 1.00 0.00 N ATOM 877 CA GLY A 43 -1.204 17.310 -22.428 1.00 0.00 C ATOM 878 C GLY A 43 -0.519 16.384 -23.434 1.00 0.00 C ATOM 879 O GLY A 43 0.106 16.871 -24.372 1.00 0.00 O ATOM 0 H GLY A 43 -1.976 16.521 -20.642 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.654 18.145 -22.966 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.449 17.729 -21.763 1.00 0.00 H new ATOM 883 N LEU A 44 -0.599 15.053 -23.211 1.00 0.00 N ATOM 884 CA LEU A 44 -0.037 14.028 -24.128 1.00 0.00 C ATOM 885 C LEU A 44 -1.118 13.422 -25.041 1.00 0.00 C ATOM 886 O LEU A 44 -0.784 12.592 -25.886 1.00 0.00 O ATOM 887 CB LEU A 44 0.645 12.872 -23.329 1.00 0.00 C ATOM 888 CG LEU A 44 1.991 13.190 -22.615 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.528 11.962 -21.850 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.046 13.732 -23.606 1.00 0.00 C ATOM 0 H LEU A 44 -1.055 14.656 -22.390 1.00 0.00 H new ATOM 0 HA LEU A 44 0.703 14.538 -24.744 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.061 12.521 -22.576 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.816 12.043 -24.016 1.00 0.00 H new ATOM 0 HG LEU A 44 1.791 13.974 -21.885 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.469 12.219 -21.363 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.802 11.656 -21.097 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.693 11.142 -22.549 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.972 13.943 -23.072 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.235 12.988 -24.380 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.676 14.648 -24.066 1.00 0.00 H new ATOM 902 N ALA A 45 -2.386 13.846 -24.883 1.00 0.00 N ATOM 903 CA ALA A 45 -3.531 13.202 -25.567 1.00 0.00 C ATOM 904 C ALA A 45 -3.411 13.280 -27.109 1.00 0.00 C ATOM 905 O ALA A 45 -3.324 14.369 -27.674 1.00 0.00 O ATOM 906 CB ALA A 45 -4.848 13.841 -25.095 1.00 0.00 C ATOM 0 H ALA A 45 -2.647 14.632 -24.288 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.524 12.145 -25.301 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.686 13.363 -25.602 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.951 13.708 -24.018 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.841 14.905 -25.330 1.00 0.00 H new ATOM 912 N GLY A 46 -3.382 12.099 -27.764 1.00 0.00 N ATOM 913 CA GLY A 46 -3.443 11.994 -29.233 1.00 0.00 C ATOM 914 C GLY A 46 -2.163 12.379 -29.995 1.00 0.00 C ATOM 915 O GLY A 46 -2.097 12.178 -31.214 1.00 0.00 O ATOM 0 H GLY A 46 -3.316 11.198 -27.290 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.701 10.967 -29.493 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.257 12.626 -29.588 1.00 0.00 H new ATOM 919 N ARG A 47 -1.151 12.925 -29.296 1.00 0.00 N ATOM 920 CA ARG A 47 0.115 13.403 -29.925 1.00 0.00 C ATOM 921 C ARG A 47 1.248 12.371 -29.759 1.00 0.00 C ATOM 922 O ARG A 47 2.386 12.613 -30.175 1.00 0.00 O ATOM 923 CB ARG A 47 0.512 14.769 -29.313 1.00 0.00 C ATOM 924 CG ARG A 47 0.910 14.720 -27.832 1.00 0.00 C ATOM 925 CD ARG A 47 0.937 16.107 -27.169 1.00 0.00 C ATOM 926 NE ARG A 47 1.735 17.120 -27.893 1.00 0.00 N ATOM 927 CZ ARG A 47 1.924 18.381 -27.459 1.00 0.00 C ATOM 928 NH1 ARG A 47 1.426 18.780 -26.292 1.00 0.00 N ATOM 929 NH2 ARG A 47 2.610 19.241 -28.195 1.00 0.00 N ATOM 0 H ARG A 47 -1.178 13.051 -28.284 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.051 13.528 -30.995 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.344 15.179 -29.885 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.324 15.459 -29.427 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.210 14.081 -27.295 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.895 14.261 -27.741 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.086 16.470 -27.074 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.334 16.005 -26.159 1.00 0.00 H new ATOM 0 HE ARG A 47 2.169 16.847 -28.775 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.894 18.128 -25.715 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.576 19.738 -25.974 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.997 18.949 -29.093 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.752 20.195 -27.865 1.00 0.00 H new ATOM 943 N LEU A 48 0.899 11.214 -29.185 1.00 0.00 N ATOM 944 CA LEU A 48 1.836 10.113 -28.880 1.00 0.00 C ATOM 945 C LEU A 48 1.380 8.808 -29.562 1.00 0.00 C ATOM 946 O LEU A 48 2.075 7.799 -29.494 1.00 0.00 O ATOM 947 CB LEU A 48 1.978 9.940 -27.333 1.00 0.00 C ATOM 948 CG LEU A 48 0.804 9.287 -26.509 1.00 0.00 C ATOM 949 CD1 LEU A 48 0.982 9.580 -25.004 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.607 9.685 -26.990 1.00 0.00 C ATOM 0 H LEU A 48 -0.062 11.007 -28.912 1.00 0.00 H new ATOM 0 HA LEU A 48 2.819 10.362 -29.279 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.873 9.344 -27.153 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.162 10.928 -26.910 1.00 0.00 H new ATOM 0 HG LEU A 48 0.872 8.213 -26.684 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.165 9.124 -24.445 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.931 9.166 -24.662 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.976 10.658 -24.840 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.355 9.192 -26.369 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.726 10.766 -26.913 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.737 9.379 -28.028 1.00 0.00 H new ATOM 962 N ILE A 49 0.178 8.847 -30.195 1.00 0.00 N ATOM 963 CA ILE A 49 -0.335 7.789 -31.095 1.00 0.00 C ATOM 964 C ILE A 49 -0.886 8.458 -32.379 1.00 0.00 C ATOM 965 O ILE A 49 -1.521 9.519 -32.302 1.00 0.00 O ATOM 966 CB ILE A 49 -1.466 6.906 -30.445 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.945 6.113 -29.213 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.103 5.925 -31.480 1.00 0.00 C ATOM 969 CD1 ILE A 49 -1.977 5.203 -28.572 1.00 0.00 C ATOM 0 H ILE A 49 -0.469 9.628 -30.090 1.00 0.00 H new ATOM 0 HA ILE A 49 0.497 7.119 -31.314 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.238 7.597 -30.106 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.088 5.512 -29.518 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.588 6.821 -28.465 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.878 5.334 -30.992 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.542 6.495 -32.299 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.334 5.260 -31.873 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.530 4.689 -27.721 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.825 5.797 -28.232 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.318 4.469 -29.302 1.00 0.00 H new ATOM 981 N GLU A 50 -0.606 7.849 -33.546 1.00 0.00 N ATOM 982 CA GLU A 50 -1.237 8.212 -34.830 1.00 0.00 C ATOM 983 C GLU A 50 -1.426 6.941 -35.675 1.00 0.00 C ATOM 984 O GLU A 50 -0.459 6.211 -35.900 1.00 0.00 O ATOM 985 CB GLU A 50 -0.366 9.229 -35.607 1.00 0.00 C ATOM 986 CG GLU A 50 -1.014 9.827 -36.876 1.00 0.00 C ATOM 987 CD GLU A 50 -2.169 10.790 -36.569 1.00 0.00 C ATOM 988 OE1 GLU A 50 -1.903 11.992 -36.354 1.00 0.00 O ATOM 989 OE2 GLU A 50 -3.338 10.352 -36.514 1.00 0.00 O ATOM 0 H GLU A 50 0.068 7.087 -33.626 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.203 8.675 -34.628 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.105 10.046 -34.934 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.566 8.740 -35.892 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.253 10.355 -37.451 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.383 9.016 -37.504 1.00 0.00 H new ATOM 996 N ASP A 51 -2.678 6.686 -36.108 1.00 0.00 N ATOM 997 CA ASP A 51 -3.040 5.575 -37.039 1.00 0.00 C ATOM 998 C ASP A 51 -2.646 4.186 -36.459 1.00 0.00 C ATOM 999 O ASP A 51 -2.324 3.240 -37.188 1.00 0.00 O ATOM 1000 CB ASP A 51 -2.411 5.845 -38.447 1.00 0.00 C ATOM 1001 CG ASP A 51 -2.919 4.906 -39.557 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -4.143 4.903 -39.830 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -2.107 4.183 -40.173 1.00 0.00 O ATOM 0 H ASP A 51 -3.481 7.247 -35.823 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.123 5.547 -37.156 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.621 6.875 -38.734 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.328 5.749 -38.373 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.700 4.082 -35.121 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.425 2.831 -34.409 1.00 0.00 C ATOM 1010 C GLY A 52 -0.952 2.611 -34.079 1.00 0.00 C ATOM 1011 O GLY A 52 -0.634 1.739 -33.267 1.00 0.00 O ATOM 0 H GLY A 52 -2.935 4.862 -34.507 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.999 2.819 -33.483 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.779 1.996 -35.014 1.00 0.00 H new ATOM 1015 N GLU A 53 -0.057 3.386 -34.715 1.00 0.00 N ATOM 1016 CA GLU A 53 1.399 3.361 -34.441 1.00 0.00 C ATOM 1017 C GLU A 53 1.784 4.616 -33.632 1.00 0.00 C ATOM 1018 O GLU A 53 0.894 5.363 -33.218 1.00 0.00 O ATOM 1019 CB GLU A 53 2.207 3.237 -35.760 1.00 0.00 C ATOM 1020 CG GLU A 53 1.926 4.333 -36.804 1.00 0.00 C ATOM 1021 CD GLU A 53 2.772 4.189 -38.082 1.00 0.00 C ATOM 1022 OE1 GLU A 53 3.970 4.540 -38.051 1.00 0.00 O ATOM 1023 OE2 GLU A 53 2.252 3.714 -39.114 1.00 0.00 O ATOM 0 H GLU A 53 -0.321 4.054 -35.440 1.00 0.00 H new ATOM 0 HA GLU A 53 1.647 2.483 -33.844 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.270 3.250 -35.519 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.994 2.267 -36.208 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.870 4.308 -37.071 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.119 5.308 -36.357 1.00 0.00 H new ATOM 1030 N VAL A 54 3.098 4.833 -33.381 1.00 0.00 N ATOM 1031 CA VAL A 54 3.557 5.884 -32.440 1.00 0.00 C ATOM 1032 C VAL A 54 3.164 7.326 -32.902 1.00 0.00 C ATOM 1033 O VAL A 54 2.487 7.993 -32.164 1.00 0.00 O ATOM 1034 CB VAL A 54 5.107 5.786 -32.123 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.446 4.446 -31.420 1.00 0.00 C ATOM 1036 CG2 VAL A 54 5.981 5.967 -33.389 1.00 0.00 C ATOM 0 H VAL A 54 3.853 4.300 -33.813 1.00 0.00 H new ATOM 0 HA VAL A 54 3.025 5.691 -31.509 1.00 0.00 H new ATOM 0 HB VAL A 54 5.341 6.608 -31.447 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.515 4.404 -31.214 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.893 4.376 -30.484 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.169 3.615 -32.068 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.034 5.891 -33.118 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.736 5.191 -34.114 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.789 6.946 -33.827 1.00 0.00 H new ATOM 1046 N LYS A 55 3.538 7.740 -34.140 1.00 0.00 N ATOM 1047 CA LYS A 55 3.270 9.099 -34.733 1.00 0.00 C ATOM 1048 C LYS A 55 4.392 9.404 -35.742 1.00 0.00 C ATOM 1049 O LYS A 55 5.559 9.074 -35.476 1.00 0.00 O ATOM 1050 CB LYS A 55 3.187 10.265 -33.668 1.00 0.00 C ATOM 1051 CG LYS A 55 3.094 11.735 -34.176 1.00 0.00 C ATOM 1052 CD LYS A 55 1.654 12.171 -34.551 1.00 0.00 C ATOM 1053 CE LYS A 55 0.671 12.082 -33.369 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.717 12.450 -33.750 1.00 0.00 N ATOM 0 H LYS A 55 4.048 7.130 -34.779 1.00 0.00 H new ATOM 0 HA LYS A 55 2.289 9.060 -35.206 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.317 10.077 -33.039 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.066 10.191 -33.028 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.478 12.402 -33.404 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.739 11.851 -35.047 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.676 13.196 -34.922 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.291 11.545 -35.366 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.678 11.067 -32.972 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.010 12.740 -32.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.380 12.092 -33.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.798 13.485 -33.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.946 12.031 -34.674 1.00 0.00 H new ATOM 1068 N PRO A 56 4.061 10.011 -36.919 1.00 0.00 N ATOM 1069 CA PRO A 56 5.073 10.544 -37.860 1.00 0.00 C ATOM 1070 C PRO A 56 5.968 11.611 -37.190 1.00 0.00 C ATOM 1071 O PRO A 56 5.459 12.558 -36.570 1.00 0.00 O ATOM 1072 CB PRO A 56 4.211 11.158 -39.005 1.00 0.00 C ATOM 1073 CG PRO A 56 2.858 11.354 -38.389 1.00 0.00 C ATOM 1074 CD PRO A 56 2.691 10.197 -37.460 1.00 0.00 C ATOM 0 HA PRO A 56 5.766 9.780 -38.213 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.629 12.102 -39.355 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.163 10.492 -39.867 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.800 12.302 -37.854 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.076 11.368 -39.148 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.970 10.412 -36.671 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.337 9.307 -37.981 1.00 0.00 H new ATOM 1082 N HIS A 57 7.292 11.389 -37.261 1.00 0.00 N ATOM 1083 CA HIS A 57 8.333 12.372 -36.879 1.00 0.00 C ATOM 1084 C HIS A 57 8.474 12.575 -35.355 1.00 0.00 C ATOM 1085 O HIS A 57 9.300 13.394 -34.929 1.00 0.00 O ATOM 1086 CB HIS A 57 8.135 13.732 -37.623 1.00 0.00 C ATOM 1087 CG HIS A 57 8.325 13.643 -39.129 1.00 0.00 C ATOM 1088 ND1 HIS A 57 9.370 14.247 -39.799 1.00 0.00 N ATOM 1089 CD2 HIS A 57 7.596 13.011 -40.081 1.00 0.00 C ATOM 1090 CE1 HIS A 57 9.273 13.993 -41.091 1.00 0.00 C ATOM 1091 NE2 HIS A 57 8.208 13.245 -41.287 1.00 0.00 N ATOM 0 H HIS A 57 7.681 10.506 -37.591 1.00 0.00 H new ATOM 0 HA HIS A 57 9.279 11.938 -37.204 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.133 14.107 -37.414 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.838 14.461 -37.220 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.699 12.431 -39.920 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.952 14.340 -41.856 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.889 12.895 -42.190 1.00 0.00 H new ATOM 1100 N VAL A 58 7.687 11.845 -34.534 1.00 0.00 N ATOM 1101 CA VAL A 58 7.859 11.871 -33.066 1.00 0.00 C ATOM 1102 C VAL A 58 9.126 11.055 -32.742 1.00 0.00 C ATOM 1103 O VAL A 58 9.217 9.882 -33.099 1.00 0.00 O ATOM 1104 CB VAL A 58 6.567 11.330 -32.293 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.414 9.791 -32.322 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.507 11.854 -30.842 1.00 0.00 C ATOM 0 H VAL A 58 6.935 11.237 -34.859 1.00 0.00 H new ATOM 0 HA VAL A 58 7.977 12.897 -32.718 1.00 0.00 H new ATOM 0 HB VAL A 58 5.719 11.732 -32.847 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.515 9.504 -31.777 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.335 9.453 -33.355 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.284 9.330 -31.855 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.615 11.464 -30.351 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.393 11.525 -30.299 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.470 12.943 -30.850 1.00 0.00 H new ATOM 1116 N ASN A 59 10.157 11.695 -32.164 1.00 0.00 N ATOM 1117 CA ASN A 59 11.417 10.988 -31.874 1.00 0.00 C ATOM 1118 C ASN A 59 11.245 10.201 -30.578 1.00 0.00 C ATOM 1119 O ASN A 59 11.275 10.752 -29.493 1.00 0.00 O ATOM 1120 CB ASN A 59 12.605 11.979 -31.784 1.00 0.00 C ATOM 1121 CG ASN A 59 13.067 12.526 -33.134 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.288 12.672 -34.081 1.00 0.00 O ATOM 1123 ND2 ASN A 59 14.354 12.805 -33.231 1.00 0.00 N ATOM 0 H ASN A 59 10.146 12.678 -31.893 1.00 0.00 H new ATOM 0 HA ASN A 59 11.647 10.298 -32.686 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.319 12.814 -31.145 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.444 11.480 -31.300 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.735 13.154 -34.110 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.967 12.672 -32.427 1.00 0.00 H new ATOM 1130 N VAL A 60 11.070 8.895 -30.720 1.00 0.00 N ATOM 1131 CA VAL A 60 10.783 7.993 -29.603 1.00 0.00 C ATOM 1132 C VAL A 60 11.842 6.896 -29.577 1.00 0.00 C ATOM 1133 O VAL A 60 12.183 6.334 -30.610 1.00 0.00 O ATOM 1134 CB VAL A 60 9.330 7.402 -29.698 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.279 8.443 -29.218 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.999 6.930 -31.138 1.00 0.00 C ATOM 0 H VAL A 60 11.123 8.422 -31.622 1.00 0.00 H new ATOM 0 HA VAL A 60 10.823 8.550 -28.667 1.00 0.00 H new ATOM 0 HB VAL A 60 9.288 6.533 -29.042 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.280 8.013 -29.292 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.481 8.713 -28.182 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.338 9.334 -29.843 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.986 6.527 -31.165 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.072 7.774 -31.824 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.705 6.156 -31.439 1.00 0.00 H new ATOM 1146 N LEU A 61 12.396 6.658 -28.380 1.00 0.00 N ATOM 1147 CA LEU A 61 13.574 5.802 -28.168 1.00 0.00 C ATOM 1148 C LEU A 61 13.259 4.655 -27.203 1.00 0.00 C ATOM 1149 O LEU A 61 12.208 4.624 -26.564 1.00 0.00 O ATOM 1150 CB LEU A 61 14.800 6.610 -27.641 1.00 0.00 C ATOM 1151 CG LEU A 61 15.329 7.795 -28.520 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.390 9.004 -28.514 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.768 8.207 -28.126 1.00 0.00 C ATOM 0 H LEU A 61 12.033 7.061 -27.516 1.00 0.00 H new ATOM 0 HA LEU A 61 13.834 5.387 -29.142 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.541 7.010 -26.661 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.623 5.911 -27.492 1.00 0.00 H new ATOM 0 HG LEU A 61 15.355 7.420 -29.543 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.808 9.793 -29.139 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.416 8.710 -28.904 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.277 9.372 -27.494 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.097 9.031 -28.759 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.783 8.522 -27.083 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.439 7.358 -28.258 1.00 0.00 H new ATOM 1165 N LYS A 62 14.225 3.746 -27.090 1.00 0.00 N ATOM 1166 CA LYS A 62 14.088 2.470 -26.393 1.00 0.00 C ATOM 1167 C LYS A 62 15.498 1.973 -26.047 1.00 0.00 C ATOM 1168 O LYS A 62 16.248 1.603 -26.955 1.00 0.00 O ATOM 1169 CB LYS A 62 13.354 1.473 -27.331 1.00 0.00 C ATOM 1170 CG LYS A 62 13.555 -0.017 -27.032 1.00 0.00 C ATOM 1171 CD LYS A 62 12.927 -0.465 -25.710 1.00 0.00 C ATOM 1172 CE LYS A 62 13.386 -1.871 -25.329 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.853 -1.952 -25.172 1.00 0.00 N ATOM 0 H LYS A 62 15.152 3.881 -27.493 1.00 0.00 H new ATOM 0 HA LYS A 62 13.509 2.569 -25.475 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.286 1.689 -27.291 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.679 1.663 -28.354 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.127 -0.603 -27.845 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.623 -0.234 -27.010 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.198 0.235 -24.920 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.841 -0.445 -25.795 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.905 -2.169 -24.397 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.064 -2.577 -26.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.213 -2.778 -25.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.291 -1.087 -25.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.089 -2.048 -24.164 1.00 0.00 H new ATOM 1187 N ASN A 63 15.853 2.013 -24.750 1.00 0.00 N ATOM 1188 CA ASN A 63 17.208 1.657 -24.252 1.00 0.00 C ATOM 1189 C ASN A 63 18.296 2.503 -24.992 1.00 0.00 C ATOM 1190 O ASN A 63 19.418 2.050 -25.234 1.00 0.00 O ATOM 1191 CB ASN A 63 17.439 0.114 -24.420 1.00 0.00 C ATOM 1192 CG ASN A 63 18.597 -0.461 -23.591 1.00 0.00 C ATOM 1193 OD1 ASN A 63 19.744 -0.513 -24.039 1.00 0.00 O ATOM 1194 ND2 ASN A 63 18.291 -0.920 -22.381 1.00 0.00 N ATOM 0 H ASN A 63 15.210 2.293 -24.009 1.00 0.00 H new ATOM 0 HA ASN A 63 17.288 1.892 -23.191 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.522 -0.408 -24.147 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.625 -0.098 -25.473 1.00 0.00 H new ATOM 0 HD21 ASN A 63 19.016 -1.331 -21.793 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.331 -0.861 -22.041 1.00 0.00 H new ATOM 1201 N GLY A 64 17.932 3.764 -25.318 1.00 0.00 N ATOM 1202 CA GLY A 64 18.813 4.691 -26.044 1.00 0.00 C ATOM 1203 C GLY A 64 18.890 4.460 -27.561 1.00 0.00 C ATOM 1204 O GLY A 64 19.772 5.020 -28.231 1.00 0.00 O ATOM 0 H GLY A 64 17.022 4.161 -25.084 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.471 5.710 -25.864 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.818 4.614 -25.628 1.00 0.00 H new ATOM 1208 N ARG A 65 17.956 3.658 -28.107 1.00 0.00 N ATOM 1209 CA ARG A 65 17.858 3.376 -29.559 1.00 0.00 C ATOM 1210 C ARG A 65 16.492 3.848 -30.062 1.00 0.00 C ATOM 1211 O ARG A 65 15.454 3.378 -29.581 1.00 0.00 O ATOM 1212 CB ARG A 65 18.028 1.860 -29.852 1.00 0.00 C ATOM 1213 CG ARG A 65 18.124 1.503 -31.361 1.00 0.00 C ATOM 1214 CD ARG A 65 19.436 1.990 -32.000 1.00 0.00 C ATOM 1215 NE ARG A 65 19.494 1.733 -33.455 1.00 0.00 N ATOM 1216 CZ ARG A 65 20.390 2.274 -34.301 1.00 0.00 C ATOM 1217 NH1 ARG A 65 21.311 3.135 -33.871 1.00 0.00 N ATOM 1218 NH2 ARG A 65 20.345 1.962 -35.587 1.00 0.00 N ATOM 0 H ARG A 65 17.243 3.183 -27.554 1.00 0.00 H new ATOM 0 HA ARG A 65 18.658 3.908 -30.074 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.927 1.504 -29.349 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.186 1.322 -29.417 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.044 0.423 -31.481 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.280 1.946 -31.890 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.548 3.059 -31.820 1.00 0.00 H new ATOM 0 HD3 ARG A 65 20.277 1.495 -31.514 1.00 0.00 H new ATOM 0 HE ARG A 65 18.801 1.096 -33.848 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.346 3.395 -32.885 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.982 3.534 -34.528 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.635 1.316 -35.930 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.021 2.368 -36.234 1.00 0.00 H new ATOM 1232 N GLU A 66 16.503 4.762 -31.035 1.00 0.00 N ATOM 1233 CA GLU A 66 15.301 5.451 -31.507 1.00 0.00 C ATOM 1234 C GLU A 66 14.451 4.516 -32.404 1.00 0.00 C ATOM 1235 O GLU A 66 14.854 4.178 -33.523 1.00 0.00 O ATOM 1236 CB GLU A 66 15.732 6.752 -32.237 1.00 0.00 C ATOM 1237 CG GLU A 66 14.701 7.895 -32.221 1.00 0.00 C ATOM 1238 CD GLU A 66 15.250 9.160 -32.888 1.00 0.00 C ATOM 1239 OE1 GLU A 66 15.558 9.118 -34.096 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.428 10.180 -32.202 1.00 0.00 O ATOM 0 H GLU A 66 17.353 5.047 -31.521 1.00 0.00 H new ATOM 0 HA GLU A 66 14.664 5.725 -30.666 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.655 7.113 -31.784 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.960 6.507 -33.274 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.795 7.576 -32.736 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.421 8.118 -31.192 1.00 0.00 H new ATOM 1247 N VAL A 67 13.280 4.103 -31.880 1.00 0.00 N ATOM 1248 CA VAL A 67 12.379 3.112 -32.517 1.00 0.00 C ATOM 1249 C VAL A 67 11.662 3.623 -33.781 1.00 0.00 C ATOM 1250 O VAL A 67 10.904 2.875 -34.392 1.00 0.00 O ATOM 1251 CB VAL A 67 11.334 2.519 -31.506 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.021 1.636 -30.462 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.489 3.623 -30.831 1.00 0.00 C ATOM 0 H VAL A 67 12.925 4.451 -30.989 1.00 0.00 H new ATOM 0 HA VAL A 67 13.049 2.315 -32.841 1.00 0.00 H new ATOM 0 HB VAL A 67 10.648 1.897 -32.080 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.275 1.238 -29.774 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.531 0.812 -30.961 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.748 2.228 -29.906 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.780 3.167 -30.140 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.145 4.300 -30.284 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.945 4.182 -31.593 1.00 0.00 H new ATOM 1263 N VAL A 68 11.892 4.885 -34.171 1.00 0.00 N ATOM 1264 CA VAL A 68 11.414 5.406 -35.473 1.00 0.00 C ATOM 1265 C VAL A 68 12.204 4.771 -36.646 1.00 0.00 C ATOM 1266 O VAL A 68 11.788 4.855 -37.805 1.00 0.00 O ATOM 1267 CB VAL A 68 11.524 6.973 -35.543 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.792 7.620 -34.356 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.996 7.455 -35.621 1.00 0.00 C ATOM 0 H VAL A 68 12.403 5.567 -33.610 1.00 0.00 H new ATOM 0 HA VAL A 68 10.363 5.132 -35.563 1.00 0.00 H new ATOM 0 HB VAL A 68 11.039 7.292 -36.466 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.879 8.704 -34.422 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.739 7.339 -34.381 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.238 7.276 -33.423 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.020 8.544 -35.668 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.537 7.117 -34.737 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.467 7.043 -36.514 1.00 0.00 H new ATOM 1279 N HIS A 69 13.368 4.162 -36.319 1.00 0.00 N ATOM 1280 CA HIS A 69 14.245 3.472 -37.291 1.00 0.00 C ATOM 1281 C HIS A 69 13.955 1.951 -37.328 1.00 0.00 C ATOM 1282 O HIS A 69 14.633 1.208 -38.049 1.00 0.00 O ATOM 1283 CB HIS A 69 15.735 3.715 -36.922 1.00 0.00 C ATOM 1284 CG HIS A 69 16.115 5.163 -36.750 1.00 0.00 C ATOM 1285 ND1 HIS A 69 16.559 5.834 -35.663 1.00 0.00 N flip ATOM 1286 CD2 HIS A 69 16.039 6.090 -37.760 1.00 0.00 C flip ATOM 1287 CE1 HIS A 69 16.735 7.142 -36.028 1.00 0.00 C flip ATOM 1288 NE2 HIS A 69 16.415 7.270 -37.301 1.00 0.00 N flip ATOM 0 H HIS A 69 13.727 4.136 -35.365 1.00 0.00 H new ATOM 0 HA HIS A 69 14.042 3.881 -38.281 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.957 3.183 -35.997 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.363 3.279 -37.699 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.721 5.886 -38.772 1.00 0.00 H new ATOM 0 HE1 HIS A 69 17.078 7.936 -35.382 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.452 8.135 -37.840 1.00 0.00 H new ATOM 1297 N LEU A 70 12.971 1.501 -36.522 1.00 0.00 N ATOM 1298 CA LEU A 70 12.553 0.081 -36.445 1.00 0.00 C ATOM 1299 C LEU A 70 11.096 -0.009 -35.927 1.00 0.00 C ATOM 1300 O LEU A 70 10.307 0.910 -36.169 1.00 0.00 O ATOM 1301 CB LEU A 70 13.554 -0.767 -35.579 1.00 0.00 C ATOM 1302 CG LEU A 70 13.780 -0.351 -34.073 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.282 -1.544 -33.229 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.773 0.823 -33.944 1.00 0.00 C ATOM 0 H LEU A 70 12.440 2.113 -35.903 1.00 0.00 H new ATOM 0 HA LEU A 70 12.579 -0.352 -37.445 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.209 -1.801 -35.590 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.523 -0.749 -36.078 1.00 0.00 H new ATOM 0 HG LEU A 70 12.811 -0.028 -33.692 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.428 -1.224 -32.197 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.545 -2.347 -33.259 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.228 -1.904 -33.634 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.900 1.078 -32.892 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.735 0.534 -34.366 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.386 1.688 -34.483 1.00 0.00 H new ATOM 1316 N ASP A 71 10.719 -1.140 -35.290 1.00 0.00 N ATOM 1317 CA ASP A 71 9.397 -1.300 -34.648 1.00 0.00 C ATOM 1318 C ASP A 71 9.196 -0.272 -33.513 1.00 0.00 C ATOM 1319 O ASP A 71 9.841 -0.373 -32.465 1.00 0.00 O ATOM 1320 CB ASP A 71 9.236 -2.742 -34.091 1.00 0.00 C ATOM 1321 CG ASP A 71 8.910 -3.783 -35.177 1.00 0.00 C ATOM 1322 OD1 ASP A 71 7.710 -3.971 -35.487 1.00 0.00 O ATOM 1323 OD2 ASP A 71 9.841 -4.395 -35.743 1.00 0.00 O ATOM 0 H ASP A 71 11.318 -1.961 -35.207 1.00 0.00 H new ATOM 0 HA ASP A 71 8.636 -1.123 -35.408 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.156 -3.033 -33.584 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.444 -2.748 -33.342 1.00 0.00 H new ATOM 1328 N GLY A 72 8.313 0.722 -33.754 1.00 0.00 N ATOM 1329 CA GLY A 72 7.966 1.726 -32.745 1.00 0.00 C ATOM 1330 C GLY A 72 7.197 1.159 -31.559 1.00 0.00 C ATOM 1331 O GLY A 72 7.560 1.390 -30.397 1.00 0.00 O ATOM 0 H GLY A 72 7.830 0.844 -34.644 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.880 2.196 -32.383 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.369 2.509 -33.214 1.00 0.00 H new ATOM 1335 N MET A 73 6.128 0.411 -31.867 1.00 0.00 N ATOM 1336 CA MET A 73 5.155 -0.058 -30.860 1.00 0.00 C ATOM 1337 C MET A 73 5.666 -1.305 -30.105 1.00 0.00 C ATOM 1338 O MET A 73 5.511 -1.392 -28.892 1.00 0.00 O ATOM 1339 CB MET A 73 3.790 -0.365 -31.540 1.00 0.00 C ATOM 1340 CG MET A 73 3.229 0.792 -32.377 1.00 0.00 C ATOM 1341 SD MET A 73 2.884 2.278 -31.399 1.00 0.00 S ATOM 1342 CE MET A 73 1.275 1.938 -30.677 1.00 0.00 C ATOM 0 H MET A 73 5.910 0.113 -32.818 1.00 0.00 H new ATOM 0 HA MET A 73 5.025 0.739 -30.128 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.905 -1.239 -32.180 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.064 -0.627 -30.770 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.940 1.040 -33.165 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.311 0.466 -32.867 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.516 2.534 -31.183 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.041 0.879 -30.791 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.290 2.194 -29.618 1.00 0.00 H new ATOM 1352 N ALA A 74 6.321 -2.239 -30.816 1.00 0.00 N ATOM 1353 CA ALA A 74 6.732 -3.536 -30.232 1.00 0.00 C ATOM 1354 C ALA A 74 8.101 -3.978 -30.776 1.00 0.00 C ATOM 1355 O ALA A 74 8.206 -4.817 -31.680 1.00 0.00 O ATOM 1356 CB ALA A 74 5.648 -4.606 -30.460 1.00 0.00 C ATOM 0 H ALA A 74 6.579 -2.124 -31.796 1.00 0.00 H new ATOM 0 HA ALA A 74 6.842 -3.408 -29.155 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.971 -5.551 -30.023 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.718 -4.288 -29.989 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.486 -4.738 -31.530 1.00 0.00 H new ATOM 1362 N THR A 75 9.141 -3.334 -30.241 1.00 0.00 N ATOM 1363 CA THR A 75 10.551 -3.623 -30.555 1.00 0.00 C ATOM 1364 C THR A 75 11.094 -4.839 -29.750 1.00 0.00 C ATOM 1365 O THR A 75 11.262 -5.934 -30.309 1.00 0.00 O ATOM 1366 CB THR A 75 11.447 -2.336 -30.351 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.845 -2.672 -30.299 1.00 0.00 O ATOM 1368 CG2 THR A 75 11.060 -1.537 -29.091 1.00 0.00 C ATOM 0 H THR A 75 9.029 -2.581 -29.563 1.00 0.00 H new ATOM 0 HA THR A 75 10.602 -3.903 -31.607 1.00 0.00 H new ATOM 0 HB THR A 75 11.263 -1.703 -31.219 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.373 -1.856 -30.174 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.707 -0.665 -29.000 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.022 -1.213 -29.170 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.176 -2.168 -28.210 1.00 0.00 H new ATOM 1376 N ALA A 76 11.299 -4.651 -28.425 1.00 0.00 N ATOM 1377 CA ALA A 76 12.120 -5.555 -27.586 1.00 0.00 C ATOM 1378 C ALA A 76 12.059 -5.135 -26.097 1.00 0.00 C ATOM 1379 O ALA A 76 13.049 -5.285 -25.363 1.00 0.00 O ATOM 1380 CB ALA A 76 13.579 -5.598 -28.104 1.00 0.00 C ATOM 0 H ALA A 76 10.900 -3.868 -27.908 1.00 0.00 H new ATOM 0 HA ALA A 76 11.709 -6.562 -27.658 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.168 -6.267 -27.476 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.590 -5.961 -29.132 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.007 -4.596 -28.069 1.00 0.00 H new ATOM 1386 N LEU A 77 10.895 -4.626 -25.643 1.00 0.00 N ATOM 1387 CA LEU A 77 10.767 -3.991 -24.311 1.00 0.00 C ATOM 1388 C LEU A 77 10.788 -5.058 -23.199 1.00 0.00 C ATOM 1389 O LEU A 77 10.394 -6.208 -23.414 1.00 0.00 O ATOM 1390 CB LEU A 77 9.478 -3.122 -24.232 1.00 0.00 C ATOM 1391 CG LEU A 77 9.376 -2.166 -22.998 1.00 0.00 C ATOM 1392 CD1 LEU A 77 10.581 -1.215 -22.923 1.00 0.00 C ATOM 1393 CD2 LEU A 77 8.059 -1.365 -23.006 1.00 0.00 C ATOM 0 H LEU A 77 10.027 -4.642 -26.179 1.00 0.00 H new ATOM 0 HA LEU A 77 11.621 -3.331 -24.162 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.411 -2.522 -25.139 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.614 -3.787 -24.225 1.00 0.00 H new ATOM 0 HG LEU A 77 9.382 -2.796 -22.108 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.478 -0.565 -22.054 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.499 -1.797 -22.834 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.622 -0.608 -23.827 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.025 -0.712 -22.134 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.005 -0.762 -23.913 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.214 -2.053 -22.978 1.00 0.00 H new ATOM 1405 N ASP A 78 11.299 -4.656 -22.025 1.00 0.00 N ATOM 1406 CA ASP A 78 11.617 -5.568 -20.910 1.00 0.00 C ATOM 1407 C ASP A 78 11.634 -4.771 -19.588 1.00 0.00 C ATOM 1408 O ASP A 78 11.569 -3.539 -19.607 1.00 0.00 O ATOM 1409 CB ASP A 78 13.002 -6.218 -21.196 1.00 0.00 C ATOM 1410 CG ASP A 78 13.424 -7.319 -20.203 1.00 0.00 C ATOM 1411 OD1 ASP A 78 12.874 -8.436 -20.276 1.00 0.00 O ATOM 1412 OD2 ASP A 78 14.329 -7.078 -19.375 1.00 0.00 O ATOM 0 H ASP A 78 11.506 -3.679 -21.819 1.00 0.00 H new ATOM 0 HA ASP A 78 10.866 -6.353 -20.819 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.987 -6.642 -22.200 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.761 -5.436 -21.192 1.00 0.00 H new ATOM 1417 N ASP A 79 11.738 -5.474 -18.451 1.00 0.00 N ATOM 1418 CA ASP A 79 11.808 -4.849 -17.112 1.00 0.00 C ATOM 1419 C ASP A 79 13.147 -4.122 -16.882 1.00 0.00 C ATOM 1420 O ASP A 79 14.201 -4.546 -17.386 1.00 0.00 O ATOM 1421 CB ASP A 79 11.564 -5.911 -15.999 1.00 0.00 C ATOM 1422 CG ASP A 79 12.528 -7.116 -16.057 1.00 0.00 C ATOM 1423 OD1 ASP A 79 12.247 -8.076 -16.811 1.00 0.00 O ATOM 1424 OD2 ASP A 79 13.552 -7.113 -15.343 1.00 0.00 O ATOM 0 H ASP A 79 11.776 -6.493 -18.428 1.00 0.00 H new ATOM 0 HA ASP A 79 11.019 -4.099 -17.063 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.659 -5.430 -15.025 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.539 -6.275 -16.077 1.00 0.00 H new ATOM 1429 N GLY A 80 13.077 -3.020 -16.115 1.00 0.00 N ATOM 1430 CA GLY A 80 14.227 -2.157 -15.844 1.00 0.00 C ATOM 1431 C GLY A 80 14.764 -1.428 -17.079 1.00 0.00 C ATOM 1432 O GLY A 80 15.895 -0.921 -17.048 1.00 0.00 O ATOM 0 H GLY A 80 12.216 -2.707 -15.667 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.945 -1.419 -15.093 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.027 -2.760 -15.414 1.00 0.00 H new ATOM 1436 N ASP A 81 13.962 -1.372 -18.171 1.00 0.00 N ATOM 1437 CA ASP A 81 14.376 -0.700 -19.424 1.00 0.00 C ATOM 1438 C ASP A 81 14.192 0.826 -19.290 1.00 0.00 C ATOM 1439 O ASP A 81 13.471 1.280 -18.405 1.00 0.00 O ATOM 1440 CB ASP A 81 13.578 -1.226 -20.654 1.00 0.00 C ATOM 1441 CG ASP A 81 14.294 -0.892 -21.978 1.00 0.00 C ATOM 1442 OD1 ASP A 81 15.205 -1.651 -22.367 1.00 0.00 O ATOM 1443 OD2 ASP A 81 13.984 0.148 -22.617 1.00 0.00 O ATOM 0 H ASP A 81 13.029 -1.783 -18.208 1.00 0.00 H new ATOM 0 HA ASP A 81 15.429 -0.928 -19.590 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.450 -2.305 -20.571 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.581 -0.786 -20.657 1.00 0.00 H new ATOM 1448 N ALA A 82 14.834 1.605 -20.184 1.00 0.00 N ATOM 1449 CA ALA A 82 14.754 3.074 -20.184 1.00 0.00 C ATOM 1450 C ALA A 82 14.295 3.589 -21.572 1.00 0.00 C ATOM 1451 O ALA A 82 15.095 3.741 -22.506 1.00 0.00 O ATOM 1452 CB ALA A 82 16.106 3.667 -19.769 1.00 0.00 C ATOM 0 H ALA A 82 15.423 1.229 -20.927 1.00 0.00 H new ATOM 0 HA ALA A 82 14.010 3.399 -19.457 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.042 4.755 -19.770 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.364 3.320 -18.768 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.875 3.348 -20.473 1.00 0.00 H new ATOM 1458 N VAL A 83 12.983 3.821 -21.686 1.00 0.00 N ATOM 1459 CA VAL A 83 12.317 4.330 -22.902 1.00 0.00 C ATOM 1460 C VAL A 83 12.368 5.870 -22.899 1.00 0.00 C ATOM 1461 O VAL A 83 12.201 6.474 -21.854 1.00 0.00 O ATOM 1462 CB VAL A 83 10.813 3.853 -22.933 1.00 0.00 C ATOM 1463 CG1 VAL A 83 10.047 4.367 -24.178 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.706 2.314 -22.816 1.00 0.00 C ATOM 0 H VAL A 83 12.333 3.657 -20.917 1.00 0.00 H new ATOM 0 HA VAL A 83 12.830 3.944 -23.783 1.00 0.00 H new ATOM 0 HB VAL A 83 10.333 4.297 -22.061 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.018 4.008 -24.146 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.051 5.457 -24.183 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.532 3.998 -25.082 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.657 2.019 -22.841 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.233 1.848 -23.649 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.152 1.989 -21.876 1.00 0.00 H new ATOM 1474 N SER A 84 12.637 6.502 -24.049 1.00 0.00 N ATOM 1475 CA SER A 84 12.601 7.983 -24.171 1.00 0.00 C ATOM 1476 C SER A 84 11.519 8.418 -25.170 1.00 0.00 C ATOM 1477 O SER A 84 11.078 7.613 -25.988 1.00 0.00 O ATOM 1478 CB SER A 84 13.965 8.519 -24.630 1.00 0.00 C ATOM 1479 OG SER A 84 15.007 8.052 -23.804 1.00 0.00 O ATOM 0 H SER A 84 12.883 6.020 -24.913 1.00 0.00 H new ATOM 0 HA SER A 84 12.366 8.395 -23.190 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.150 8.212 -25.660 1.00 0.00 H new ATOM 0 HB3 SER A 84 13.951 9.609 -24.619 1.00 0.00 H new ATOM 0 HG SER A 84 15.094 7.081 -23.905 1.00 0.00 H new ATOM 1485 N VAL A 85 11.106 9.699 -25.098 1.00 0.00 N ATOM 1486 CA VAL A 85 10.155 10.319 -26.043 1.00 0.00 C ATOM 1487 C VAL A 85 10.520 11.814 -26.226 1.00 0.00 C ATOM 1488 O VAL A 85 10.940 12.499 -25.279 1.00 0.00 O ATOM 1489 CB VAL A 85 8.630 10.207 -25.606 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.124 8.741 -25.500 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.381 10.963 -24.297 1.00 0.00 C ATOM 0 H VAL A 85 11.427 10.340 -24.373 1.00 0.00 H new ATOM 0 HA VAL A 85 10.248 9.763 -26.976 1.00 0.00 H new ATOM 0 HB VAL A 85 8.051 10.673 -26.403 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.077 8.739 -25.198 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.223 8.251 -26.468 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.717 8.204 -24.759 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.331 10.872 -24.018 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.004 10.540 -23.509 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.631 12.015 -24.431 1.00 0.00 H new ATOM 1501 N PHE A 86 10.379 12.280 -27.461 1.00 0.00 N ATOM 1502 CA PHE A 86 10.567 13.678 -27.873 1.00 0.00 C ATOM 1503 C PHE A 86 9.371 13.996 -28.798 1.00 0.00 C ATOM 1504 O PHE A 86 9.076 13.175 -29.673 1.00 0.00 O ATOM 1505 CB PHE A 86 11.876 13.886 -28.705 1.00 0.00 C ATOM 1506 CG PHE A 86 13.215 13.575 -28.030 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.544 12.274 -27.664 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.160 14.576 -27.796 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.760 11.985 -27.087 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.388 14.274 -27.226 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.676 12.975 -26.865 1.00 0.00 C ATOM 0 H PHE A 86 10.120 11.674 -28.240 1.00 0.00 H new ATOM 0 HA PHE A 86 10.635 14.314 -26.990 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.803 13.270 -29.601 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.901 14.925 -29.033 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.834 11.478 -27.835 1.00 0.00 H new ATOM 0 HD2 PHE A 86 13.932 15.598 -28.062 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.992 10.968 -26.807 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.117 15.055 -27.065 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.625 12.740 -26.407 1.00 0.00 H new ATOM 1521 N PRO A 87 8.671 15.153 -28.636 1.00 0.00 N ATOM 1522 CA PRO A 87 7.567 15.565 -29.539 1.00 0.00 C ATOM 1523 C PRO A 87 8.037 15.750 -31.011 1.00 0.00 C ATOM 1524 O PRO A 87 9.221 16.018 -31.260 1.00 0.00 O ATOM 1525 CB PRO A 87 7.063 16.908 -28.929 1.00 0.00 C ATOM 1526 CG PRO A 87 8.196 17.369 -28.084 1.00 0.00 C ATOM 1527 CD PRO A 87 8.856 16.125 -27.555 1.00 0.00 C ATOM 0 HA PRO A 87 6.787 14.806 -29.597 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.824 17.634 -29.706 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.158 16.763 -28.339 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.899 17.965 -28.666 1.00 0.00 H new ATOM 0 HG3 PRO A 87 7.842 17.999 -27.268 1.00 0.00 H new ATOM 0 HD2 PRO A 87 9.912 16.291 -27.341 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.392 15.788 -26.628 1.00 0.00 H new ATOM 1535 N PRO A 88 7.104 15.629 -32.003 1.00 0.00 N ATOM 1536 CA PRO A 88 7.445 15.759 -33.438 1.00 0.00 C ATOM 1537 C PRO A 88 7.703 17.228 -33.837 1.00 0.00 C ATOM 1538 O PRO A 88 6.962 18.124 -33.416 1.00 0.00 O ATOM 1539 CB PRO A 88 6.189 15.182 -34.136 1.00 0.00 C ATOM 1540 CG PRO A 88 5.063 15.500 -33.200 1.00 0.00 C ATOM 1541 CD PRO A 88 5.646 15.390 -31.803 1.00 0.00 C ATOM 0 HA PRO A 88 8.365 15.242 -33.712 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.033 15.638 -35.114 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.281 14.108 -34.296 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.672 16.501 -33.383 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.234 14.805 -33.334 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.209 16.127 -31.129 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.458 14.408 -31.368 1.00 0.00 H new