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+ -121:sc= 0.0233 (180deg=-0.0556) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.598 (180deg=-2.4) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.642 K(o=-0.64,f=-1.8) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc=-0.00809 (180deg=-0.103) USER MOD Single : A 19 SER OG : rot 170:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 114:sc= 1.21 USER MOD Single : A 36 SER OG : rot 80:sc= 0.774 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= 0.256 (180deg=-0.517) USER MOD Single : A 57 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.767 K(o=-0.77,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0.484 (180deg=0.372) USER MOD Single : A 63 ASN : amide:sc= -0.0675 K(o=-0.067,f=-0.68) USER MOD Single : A 69 HIS : no HD1:sc= -0.681 X(o=-0.68,f=-0.42) USER MOD Single : A 73 MET CE :methyl -160:sc= -0.466 (180deg=-1.11) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 3.919 -7.485 -13.995 1.00 0.00 N ATOM 181 CA THR A 0 4.098 -6.085 -14.401 1.00 0.00 C ATOM 182 C THR A 0 5.603 -5.769 -14.503 1.00 0.00 C ATOM 183 O THR A 0 6.408 -6.311 -13.736 1.00 0.00 O ATOM 184 CB THR A 0 3.430 -5.117 -13.371 1.00 0.00 C ATOM 185 OG1 THR A 0 3.971 -5.349 -12.066 1.00 0.00 O ATOM 186 CG2 THR A 0 1.894 -5.264 -13.335 1.00 0.00 C ATOM 0 H1 THR A 0 3.370 -7.989 -14.720 1.00 0.00 H new ATOM 0 H2 THR A 0 4.849 -7.937 -13.888 1.00 0.00 H new ATOM 0 H3 THR A 0 3.411 -7.521 -13.088 1.00 0.00 H new ATOM 0 HA THR A 0 3.621 -5.941 -15.371 1.00 0.00 H new ATOM 0 HB THR A 0 3.651 -4.099 -13.692 1.00 0.00 H new ATOM 0 HG1 THR A 0 3.551 -4.739 -11.424 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.479 -4.570 -12.604 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.484 -5.041 -14.320 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.633 -6.285 -13.055 1.00 0.00 H new ATOM 194 N MET A 1 5.968 -4.898 -15.450 1.00 0.00 N ATOM 195 CA MET A 1 7.345 -4.430 -15.648 1.00 0.00 C ATOM 196 C MET A 1 7.454 -2.916 -15.395 1.00 0.00 C ATOM 197 O MET A 1 6.621 -2.129 -15.863 1.00 0.00 O ATOM 198 CB MET A 1 7.828 -4.796 -17.062 1.00 0.00 C ATOM 199 CG MET A 1 6.969 -4.295 -18.211 1.00 0.00 C ATOM 200 SD MET A 1 7.614 -4.867 -19.789 1.00 0.00 S ATOM 201 CE MET A 1 6.315 -4.360 -20.885 1.00 0.00 C ATOM 0 H MET A 1 5.305 -4.492 -16.111 1.00 0.00 H new ATOM 0 HA MET A 1 7.991 -4.928 -14.925 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.837 -4.405 -17.192 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.895 -5.882 -17.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.944 -4.644 -18.084 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.938 -3.206 -18.199 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.710 -4.261 -21.896 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.520 -5.106 -20.877 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.915 -3.401 -20.556 1.00 0.00 H new ATOM 211 N GLU A 2 8.489 -2.535 -14.626 1.00 0.00 N ATOM 212 CA GLU A 2 8.754 -1.144 -14.225 1.00 0.00 C ATOM 213 C GLU A 2 9.695 -0.473 -15.235 1.00 0.00 C ATOM 214 O GLU A 2 10.719 -1.045 -15.605 1.00 0.00 O ATOM 215 CB GLU A 2 9.362 -1.127 -12.803 1.00 0.00 C ATOM 216 CG GLU A 2 9.581 0.271 -12.206 1.00 0.00 C ATOM 217 CD GLU A 2 9.924 0.232 -10.709 1.00 0.00 C ATOM 218 OE1 GLU A 2 11.101 -0.005 -10.359 1.00 0.00 O ATOM 219 OE2 GLU A 2 9.017 0.435 -9.877 1.00 0.00 O ATOM 0 H GLU A 2 9.175 -3.196 -14.261 1.00 0.00 H new ATOM 0 HA GLU A 2 7.820 -0.582 -14.212 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.708 -1.691 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.319 -1.649 -12.827 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.386 0.769 -12.746 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.681 0.869 -12.352 1.00 0.00 H new ATOM 226 N LEU A 3 9.344 0.751 -15.665 1.00 0.00 N ATOM 227 CA LEU A 3 9.993 1.433 -16.805 1.00 0.00 C ATOM 228 C LEU A 3 10.346 2.890 -16.432 1.00 0.00 C ATOM 229 O LEU A 3 9.557 3.566 -15.777 1.00 0.00 O ATOM 230 CB LEU A 3 9.016 1.427 -18.010 1.00 0.00 C ATOM 231 CG LEU A 3 8.445 0.034 -18.426 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.287 0.193 -19.418 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.548 -0.879 -18.992 1.00 0.00 C ATOM 0 H LEU A 3 8.600 1.299 -15.233 1.00 0.00 H new ATOM 0 HA LEU A 3 10.913 0.909 -17.063 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.179 2.085 -17.776 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.529 1.858 -18.870 1.00 0.00 H new ATOM 0 HG LEU A 3 8.054 -0.448 -17.530 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.906 -0.790 -19.693 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.490 0.775 -18.956 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.641 0.708 -20.311 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.117 -1.840 -19.272 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.992 -0.411 -19.871 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.317 -1.033 -18.235 1.00 0.00 H new ATOM 245 N GLU A 4 11.531 3.353 -16.852 1.00 0.00 N ATOM 246 CA GLU A 4 11.919 4.768 -16.769 1.00 0.00 C ATOM 247 C GLU A 4 11.479 5.479 -18.052 1.00 0.00 C ATOM 248 O GLU A 4 12.106 5.335 -19.101 1.00 0.00 O ATOM 249 CB GLU A 4 13.456 4.916 -16.584 1.00 0.00 C ATOM 250 CG GLU A 4 13.937 6.381 -16.427 1.00 0.00 C ATOM 251 CD GLU A 4 15.463 6.564 -16.270 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.239 5.609 -16.501 1.00 0.00 O ATOM 253 OE2 GLU A 4 15.890 7.684 -15.915 1.00 0.00 O ATOM 0 H GLU A 4 12.250 2.755 -17.260 1.00 0.00 H new ATOM 0 HA GLU A 4 11.432 5.218 -15.904 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.761 4.349 -15.705 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.959 4.470 -17.442 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.608 6.949 -17.297 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.445 6.816 -15.557 1.00 0.00 H new ATOM 260 N LEU A 5 10.378 6.229 -17.979 1.00 0.00 N ATOM 261 CA LEU A 5 9.838 6.947 -19.136 1.00 0.00 C ATOM 262 C LEU A 5 10.395 8.364 -19.148 1.00 0.00 C ATOM 263 O LEU A 5 9.998 9.215 -18.349 1.00 0.00 O ATOM 264 CB LEU A 5 8.305 6.934 -19.116 1.00 0.00 C ATOM 265 CG LEU A 5 7.652 5.535 -18.933 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.137 5.636 -19.041 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.216 4.495 -19.928 1.00 0.00 C ATOM 0 H LEU A 5 9.838 6.356 -17.123 1.00 0.00 H new ATOM 0 HA LEU A 5 10.145 6.448 -20.055 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.964 7.584 -18.310 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.943 7.366 -20.049 1.00 0.00 H new ATOM 0 HG LEU A 5 7.905 5.182 -17.933 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.696 4.648 -18.910 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.761 6.306 -18.268 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.867 6.027 -20.022 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.731 3.533 -19.763 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.025 4.827 -20.949 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.290 4.390 -19.775 1.00 0.00 H new ATOM 279 N ARG A 6 11.354 8.581 -20.044 1.00 0.00 N ATOM 280 CA ARG A 6 12.122 9.814 -20.132 1.00 0.00 C ATOM 281 C ARG A 6 11.480 10.729 -21.187 1.00 0.00 C ATOM 282 O ARG A 6 11.387 10.363 -22.347 1.00 0.00 O ATOM 283 CB ARG A 6 13.620 9.495 -20.467 1.00 0.00 C ATOM 284 CG ARG A 6 14.118 8.110 -19.972 1.00 0.00 C ATOM 285 CD ARG A 6 15.652 7.989 -19.930 1.00 0.00 C ATOM 286 NE ARG A 6 16.216 8.674 -18.756 1.00 0.00 N ATOM 287 CZ ARG A 6 17.439 9.203 -18.666 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.254 9.245 -19.714 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.838 9.692 -17.506 1.00 0.00 N ATOM 0 H ARG A 6 11.623 7.888 -20.743 1.00 0.00 H new ATOM 0 HA ARG A 6 12.111 10.334 -19.174 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.755 9.549 -21.547 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.249 10.270 -20.028 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.719 7.924 -18.975 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.718 7.334 -20.625 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.934 6.936 -19.909 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.076 8.414 -20.839 1.00 0.00 H new ATOM 0 HE ARG A 6 15.617 8.752 -17.934 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.950 8.868 -20.612 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.184 9.654 -19.621 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.216 9.662 -16.698 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.769 10.100 -17.418 1.00 0.00 H new ATOM 303 N PHE A 7 11.013 11.903 -20.760 1.00 0.00 N ATOM 304 CA PHE A 7 10.329 12.884 -21.629 1.00 0.00 C ATOM 305 C PHE A 7 11.241 14.072 -21.879 1.00 0.00 C ATOM 306 O PHE A 7 11.933 14.532 -20.971 1.00 0.00 O ATOM 307 CB PHE A 7 9.007 13.346 -20.972 1.00 0.00 C ATOM 308 CG PHE A 7 8.010 12.217 -20.803 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.046 11.403 -19.683 1.00 0.00 C ATOM 310 CD2 PHE A 7 7.063 11.942 -21.786 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.166 10.356 -19.549 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.188 10.886 -21.651 1.00 0.00 C ATOM 313 CZ PHE A 7 6.244 10.093 -20.531 1.00 0.00 C ATOM 0 H PHE A 7 11.096 12.211 -19.791 1.00 0.00 H new ATOM 0 HA PHE A 7 10.094 12.414 -22.584 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.224 13.782 -19.997 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.559 14.132 -21.580 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.773 11.593 -18.907 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.014 12.565 -22.667 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.200 9.736 -18.665 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.461 10.683 -22.423 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.562 9.262 -20.423 1.00 0.00 H new ATOM 323 N PHE A 8 11.261 14.554 -23.131 1.00 0.00 N ATOM 324 CA PHE A 8 12.107 15.687 -23.549 1.00 0.00 C ATOM 325 C PHE A 8 11.255 16.692 -24.347 1.00 0.00 C ATOM 326 O PHE A 8 10.178 16.335 -24.842 1.00 0.00 O ATOM 327 CB PHE A 8 13.334 15.166 -24.345 1.00 0.00 C ATOM 328 CG PHE A 8 14.140 14.119 -23.563 1.00 0.00 C ATOM 329 CD1 PHE A 8 14.920 14.486 -22.465 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.066 12.764 -23.883 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.592 13.535 -21.716 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.747 11.819 -23.146 1.00 0.00 C ATOM 333 CZ PHE A 8 15.508 12.202 -22.058 1.00 0.00 C ATOM 0 H PHE A 8 10.691 14.170 -23.885 1.00 0.00 H new ATOM 0 HA PHE A 8 12.499 16.213 -22.679 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.995 14.731 -25.285 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.982 16.005 -24.597 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.001 15.529 -22.195 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.465 12.449 -24.723 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.182 13.837 -20.864 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.686 10.776 -23.420 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.035 11.460 -21.477 1.00 0.00 H new ATOM 343 N ALA A 9 11.711 17.964 -24.365 1.00 0.00 N ATOM 344 CA ALA A 9 11.065 19.084 -25.086 1.00 0.00 C ATOM 345 C ALA A 9 9.577 19.313 -24.646 1.00 0.00 C ATOM 346 O ALA A 9 9.321 19.440 -23.445 1.00 0.00 O ATOM 347 CB ALA A 9 11.230 18.892 -26.595 1.00 0.00 C ATOM 0 H ALA A 9 12.556 18.247 -23.869 1.00 0.00 H new ATOM 0 HA ALA A 9 11.573 20.008 -24.811 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.753 19.719 -27.121 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.291 18.867 -26.845 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.764 17.954 -26.895 1.00 0.00 H new ATOM 353 N THR A 10 8.613 19.372 -25.614 1.00 0.00 N ATOM 354 CA THR A 10 7.164 19.572 -25.339 1.00 0.00 C ATOM 355 C THR A 10 6.611 18.507 -24.371 1.00 0.00 C ATOM 356 O THR A 10 5.991 18.842 -23.365 1.00 0.00 O ATOM 357 CB THR A 10 6.337 19.539 -26.672 1.00 0.00 C ATOM 358 OG1 THR A 10 6.808 20.559 -27.565 1.00 0.00 O ATOM 359 CG2 THR A 10 4.815 19.705 -26.450 1.00 0.00 C ATOM 0 H THR A 10 8.825 19.281 -26.608 1.00 0.00 H new ATOM 0 HA THR A 10 7.062 20.550 -24.869 1.00 0.00 H new ATOM 0 HB THR A 10 6.488 18.552 -27.108 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.289 20.532 -28.396 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.302 19.673 -27.411 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.449 18.897 -25.816 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.620 20.662 -25.966 1.00 0.00 H new ATOM 367 N PHE A 11 6.893 17.223 -24.665 1.00 0.00 N ATOM 368 CA PHE A 11 6.361 16.087 -23.878 1.00 0.00 C ATOM 369 C PHE A 11 6.903 16.115 -22.425 1.00 0.00 C ATOM 370 O PHE A 11 6.269 15.577 -21.512 1.00 0.00 O ATOM 371 CB PHE A 11 6.697 14.730 -24.566 1.00 0.00 C ATOM 372 CG PHE A 11 6.010 14.452 -25.922 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.067 15.326 -26.479 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.304 13.279 -26.631 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.457 15.035 -27.692 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.693 13.001 -27.844 1.00 0.00 C ATOM 377 CZ PHE A 11 4.769 13.874 -28.366 1.00 0.00 C ATOM 0 H PHE A 11 7.488 16.943 -25.444 1.00 0.00 H new ATOM 0 HA PHE A 11 5.276 16.188 -23.835 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.776 14.681 -24.715 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.433 13.926 -23.879 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.811 16.237 -25.958 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.019 12.579 -26.225 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.735 15.721 -28.109 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.944 12.097 -28.379 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.287 13.650 -29.306 1.00 0.00 H new ATOM 387 N ARG A 12 8.064 16.785 -22.234 1.00 0.00 N ATOM 388 CA ARG A 12 8.699 16.939 -20.912 1.00 0.00 C ATOM 389 C ARG A 12 7.875 17.859 -20.014 1.00 0.00 C ATOM 390 O ARG A 12 7.627 17.527 -18.855 1.00 0.00 O ATOM 391 CB ARG A 12 10.147 17.478 -21.051 1.00 0.00 C ATOM 392 CG ARG A 12 11.039 17.443 -19.766 1.00 0.00 C ATOM 393 CD ARG A 12 11.231 18.807 -19.055 1.00 0.00 C ATOM 394 NE ARG A 12 10.089 19.213 -18.213 1.00 0.00 N ATOM 395 CZ ARG A 12 9.934 20.433 -17.660 1.00 0.00 C ATOM 396 NH1 ARG A 12 10.793 21.415 -17.903 1.00 0.00 N ATOM 397 NH2 ARG A 12 8.898 20.667 -16.879 1.00 0.00 N ATOM 0 H ARG A 12 8.582 17.231 -22.991 1.00 0.00 H new ATOM 0 HA ARG A 12 8.742 15.954 -20.448 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.650 16.904 -21.829 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.094 18.509 -21.400 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.599 16.741 -19.057 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.020 17.051 -20.035 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.127 18.759 -18.435 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.405 19.576 -19.808 1.00 0.00 H new ATOM 0 HE ARG A 12 9.363 18.519 -18.036 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.590 21.255 -18.519 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.656 22.330 -17.474 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.220 19.927 -16.696 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.775 21.588 -16.457 1.00 0.00 H new ATOM 411 N GLU A 13 7.473 19.031 -20.554 1.00 0.00 N ATOM 412 CA GLU A 13 6.751 20.054 -19.770 1.00 0.00 C ATOM 413 C GLU A 13 5.294 19.643 -19.506 1.00 0.00 C ATOM 414 O GLU A 13 4.678 20.126 -18.554 1.00 0.00 O ATOM 415 CB GLU A 13 6.878 21.465 -20.424 1.00 0.00 C ATOM 416 CG GLU A 13 6.313 21.649 -21.857 1.00 0.00 C ATOM 417 CD GLU A 13 4.783 21.838 -21.934 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.274 22.848 -21.400 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.090 20.999 -22.543 1.00 0.00 O ATOM 0 H GLU A 13 7.636 19.290 -21.527 1.00 0.00 H new ATOM 0 HA GLU A 13 7.226 20.124 -18.792 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.380 22.183 -19.772 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.935 21.732 -20.443 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.795 22.514 -22.313 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.587 20.779 -22.454 1.00 0.00 H new ATOM 426 N VAL A 14 4.765 18.750 -20.356 1.00 0.00 N ATOM 427 CA VAL A 14 3.466 18.092 -20.130 1.00 0.00 C ATOM 428 C VAL A 14 3.484 17.297 -18.812 1.00 0.00 C ATOM 429 O VAL A 14 2.655 17.508 -17.915 1.00 0.00 O ATOM 430 CB VAL A 14 3.107 17.128 -21.313 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.846 16.312 -20.984 1.00 0.00 C ATOM 432 CG2 VAL A 14 2.953 17.895 -22.650 1.00 0.00 C ATOM 0 H VAL A 14 5.225 18.463 -21.220 1.00 0.00 H new ATOM 0 HA VAL A 14 2.708 18.873 -20.071 1.00 0.00 H new ATOM 0 HB VAL A 14 3.936 16.432 -21.440 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.614 15.649 -21.818 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.020 15.719 -20.086 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.009 16.989 -20.814 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.704 17.193 -23.446 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.157 18.634 -22.556 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.889 18.399 -22.890 1.00 0.00 H new ATOM 442 N VAL A 15 4.458 16.392 -18.729 1.00 0.00 N ATOM 443 CA VAL A 15 4.673 15.528 -17.565 1.00 0.00 C ATOM 444 C VAL A 15 5.277 16.338 -16.399 1.00 0.00 C ATOM 445 O VAL A 15 5.120 15.985 -15.223 1.00 0.00 O ATOM 446 CB VAL A 15 5.585 14.313 -17.988 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.897 13.359 -16.813 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.919 13.538 -19.158 1.00 0.00 C ATOM 0 H VAL A 15 5.131 16.235 -19.479 1.00 0.00 H new ATOM 0 HA VAL A 15 3.722 15.130 -17.211 1.00 0.00 H new ATOM 0 HB VAL A 15 6.540 14.723 -18.315 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.528 12.543 -17.165 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.417 13.907 -16.028 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.966 12.953 -16.417 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.553 12.700 -19.447 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.946 13.164 -18.840 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.790 14.206 -20.010 1.00 0.00 H new ATOM 458 N GLY A 16 5.910 17.471 -16.755 1.00 0.00 N ATOM 459 CA GLY A 16 6.641 18.321 -15.817 1.00 0.00 C ATOM 460 C GLY A 16 7.943 17.687 -15.329 1.00 0.00 C ATOM 461 O GLY A 16 8.591 18.216 -14.418 1.00 0.00 O ATOM 0 H GLY A 16 5.924 17.819 -17.714 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.864 19.274 -16.297 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.004 18.537 -14.959 1.00 0.00 H new ATOM 465 N GLN A 17 8.352 16.576 -15.982 1.00 0.00 N ATOM 466 CA GLN A 17 9.497 15.746 -15.556 1.00 0.00 C ATOM 467 C GLN A 17 10.253 15.250 -16.800 1.00 0.00 C ATOM 468 O GLN A 17 9.623 14.976 -17.832 1.00 0.00 O ATOM 469 CB GLN A 17 9.028 14.513 -14.706 1.00 0.00 C ATOM 470 CG GLN A 17 7.856 14.776 -13.718 1.00 0.00 C ATOM 471 CD GLN A 17 7.707 13.729 -12.618 1.00 0.00 C ATOM 472 OE1 GLN A 17 8.687 13.127 -12.179 1.00 0.00 O ATOM 473 NE2 GLN A 17 6.480 13.502 -12.169 1.00 0.00 N ATOM 0 H GLN A 17 7.893 16.230 -16.824 1.00 0.00 H new ATOM 0 HA GLN A 17 10.150 16.358 -14.933 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.730 13.717 -15.389 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.881 14.143 -14.137 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.000 15.752 -13.255 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.925 14.825 -14.283 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.691 14.020 -12.556 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.325 12.810 -11.436 1.00 0.00 H new ATOM 482 N LYS A 18 11.596 15.131 -16.698 1.00 0.00 N ATOM 483 CA LYS A 18 12.444 14.625 -17.805 1.00 0.00 C ATOM 484 C LYS A 18 12.542 13.095 -17.786 1.00 0.00 C ATOM 485 O LYS A 18 12.934 12.501 -18.783 1.00 0.00 O ATOM 486 CB LYS A 18 13.872 15.237 -17.797 1.00 0.00 C ATOM 487 CG LYS A 18 14.703 14.987 -16.509 1.00 0.00 C ATOM 488 CD LYS A 18 14.544 16.099 -15.451 1.00 0.00 C ATOM 489 CE LYS A 18 15.055 17.461 -15.947 1.00 0.00 C ATOM 490 NZ LYS A 18 16.486 17.421 -16.375 1.00 0.00 N ATOM 0 H LYS A 18 12.119 15.379 -15.858 1.00 0.00 H new ATOM 0 HA LYS A 18 11.949 14.941 -18.723 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.424 14.837 -18.647 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.787 16.313 -17.950 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.404 14.034 -16.072 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.756 14.898 -16.776 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.493 16.187 -15.176 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.087 15.818 -14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.439 17.792 -16.783 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.938 18.199 -15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.817 18.387 -16.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.063 17.004 -15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.575 16.844 -17.236 1.00 0.00 H new ATOM 504 N SER A 19 12.235 12.475 -16.635 1.00 0.00 N ATOM 505 CA SER A 19 12.136 11.010 -16.495 1.00 0.00 C ATOM 506 C SER A 19 11.202 10.688 -15.317 1.00 0.00 C ATOM 507 O SER A 19 11.236 11.376 -14.288 1.00 0.00 O ATOM 508 CB SER A 19 13.527 10.346 -16.250 1.00 0.00 C ATOM 509 OG SER A 19 14.510 10.769 -17.191 1.00 0.00 O ATOM 0 H SER A 19 12.047 12.979 -15.768 1.00 0.00 H new ATOM 0 HA SER A 19 11.741 10.607 -17.427 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.867 10.585 -15.243 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.422 9.262 -16.302 1.00 0.00 H new ATOM 0 HG SER A 19 15.393 10.457 -16.904 1.00 0.00 H new ATOM 515 N ILE A 20 10.358 9.659 -15.487 1.00 0.00 N ATOM 516 CA ILE A 20 9.465 9.137 -14.433 1.00 0.00 C ATOM 517 C ILE A 20 9.650 7.623 -14.333 1.00 0.00 C ATOM 518 O ILE A 20 10.203 7.001 -15.242 1.00 0.00 O ATOM 519 CB ILE A 20 7.945 9.463 -14.725 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.449 8.777 -16.033 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.725 10.979 -14.807 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.036 9.159 -16.469 1.00 0.00 C ATOM 0 H ILE A 20 10.273 9.157 -16.371 1.00 0.00 H new ATOM 0 HA ILE A 20 9.730 9.623 -13.494 1.00 0.00 H new ATOM 0 HB ILE A 20 7.361 9.063 -13.896 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.140 9.024 -16.839 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.491 7.696 -15.897 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.674 11.184 -15.008 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.010 11.440 -13.861 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.335 11.392 -15.610 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.783 8.630 -17.388 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.328 8.886 -15.687 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.987 10.234 -16.644 1.00 0.00 H new ATOM 534 N TYR A 21 9.201 7.036 -13.227 1.00 0.00 N ATOM 535 CA TYR A 21 9.145 5.579 -13.075 1.00 0.00 C ATOM 536 C TYR A 21 7.672 5.150 -13.084 1.00 0.00 C ATOM 537 O TYR A 21 6.900 5.496 -12.188 1.00 0.00 O ATOM 538 CB TYR A 21 9.895 5.121 -11.779 1.00 0.00 C ATOM 539 CG TYR A 21 11.254 4.427 -12.025 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.166 4.898 -12.978 1.00 0.00 C ATOM 541 CD2 TYR A 21 11.634 3.308 -11.280 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.384 4.272 -13.170 1.00 0.00 C ATOM 543 CE2 TYR A 21 12.850 2.682 -11.480 1.00 0.00 C ATOM 544 CZ TYR A 21 13.722 3.168 -12.423 1.00 0.00 C ATOM 545 OH TYR A 21 14.940 2.546 -12.627 1.00 0.00 O ATOM 0 H TYR A 21 8.866 7.551 -12.413 1.00 0.00 H new ATOM 0 HA TYR A 21 9.657 5.092 -13.905 1.00 0.00 H new ATOM 0 HB2 TYR A 21 10.058 5.992 -11.144 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.250 4.439 -11.225 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.914 5.764 -13.572 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.961 2.922 -10.529 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.073 4.652 -13.910 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.114 1.813 -10.896 1.00 0.00 H new ATOM 0 HH TYR A 21 15.024 1.783 -12.018 1.00 0.00 H new ATOM 555 N TRP A 22 7.311 4.432 -14.143 1.00 0.00 N ATOM 556 CA TRP A 22 5.998 3.802 -14.338 1.00 0.00 C ATOM 557 C TRP A 22 6.107 2.301 -14.070 1.00 0.00 C ATOM 558 O TRP A 22 7.192 1.782 -13.795 1.00 0.00 O ATOM 559 CB TRP A 22 5.523 4.039 -15.806 1.00 0.00 C ATOM 560 CG TRP A 22 4.489 5.116 -15.997 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.441 6.346 -15.423 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.370 5.045 -16.879 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.365 7.048 -15.908 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.695 6.267 -16.809 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.899 4.057 -17.735 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.550 6.521 -17.563 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.769 4.302 -18.471 1.00 0.00 C ATOM 568 CH2 TRP A 22 1.110 5.529 -18.388 1.00 0.00 C ATOM 0 H TRP A 22 7.946 4.263 -14.923 1.00 0.00 H new ATOM 0 HA TRP A 22 5.277 4.240 -13.648 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.394 4.286 -16.414 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.120 3.103 -16.193 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.145 6.717 -14.693 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.107 7.998 -15.640 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.415 3.112 -17.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.032 7.466 -17.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.383 3.534 -19.125 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.230 5.697 -18.992 1.00 0.00 H new ATOM 579 N ARG A 23 4.962 1.620 -14.176 1.00 0.00 N ATOM 580 CA ARG A 23 4.888 0.163 -14.136 1.00 0.00 C ATOM 581 C ARG A 23 3.595 -0.284 -14.822 1.00 0.00 C ATOM 582 O ARG A 23 2.497 -0.027 -14.324 1.00 0.00 O ATOM 583 CB ARG A 23 5.004 -0.348 -12.674 1.00 0.00 C ATOM 584 CG ARG A 23 5.062 -1.888 -12.531 1.00 0.00 C ATOM 585 CD ARG A 23 5.714 -2.337 -11.207 1.00 0.00 C ATOM 586 NE ARG A 23 5.047 -1.769 -10.024 1.00 0.00 N ATOM 587 CZ ARG A 23 5.657 -1.408 -8.884 1.00 0.00 C ATOM 588 NH1 ARG A 23 6.983 -1.473 -8.757 1.00 0.00 N ATOM 589 NH2 ARG A 23 4.929 -0.966 -7.877 1.00 0.00 N ATOM 0 H ARG A 23 4.055 2.072 -14.293 1.00 0.00 H new ATOM 0 HA ARG A 23 5.725 -0.276 -14.678 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.900 0.079 -12.224 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.153 0.025 -12.104 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.052 -2.293 -12.590 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.622 -2.306 -13.368 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.690 -3.425 -11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.763 -2.041 -11.205 1.00 0.00 H new ATOM 0 HE ARG A 23 4.037 -1.639 -10.075 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.554 -1.802 -9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.426 -1.194 -7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.915 -0.902 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.380 -0.688 -7.005 1.00 0.00 H new ATOM 603 N VAL A 24 3.747 -0.914 -15.996 1.00 0.00 N ATOM 604 CA VAL A 24 2.632 -1.462 -16.791 1.00 0.00 C ATOM 605 C VAL A 24 2.752 -2.988 -16.803 1.00 0.00 C ATOM 606 O VAL A 24 3.663 -3.533 -16.206 1.00 0.00 O ATOM 607 CB VAL A 24 2.637 -0.927 -18.284 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.434 0.603 -18.342 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.927 -1.351 -19.042 1.00 0.00 C ATOM 0 H VAL A 24 4.659 -1.061 -16.428 1.00 0.00 H new ATOM 0 HA VAL A 24 1.697 -1.140 -16.333 1.00 0.00 H new ATOM 0 HB VAL A 24 1.791 -1.391 -18.791 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.443 0.932 -19.381 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.477 0.861 -17.888 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.238 1.098 -17.798 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.893 -0.966 -20.061 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.800 -0.946 -18.530 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.993 -2.439 -19.067 1.00 0.00 H new ATOM 619 N ASP A 25 1.819 -3.651 -17.478 1.00 0.00 N ATOM 620 CA ASP A 25 1.831 -5.115 -17.693 1.00 0.00 C ATOM 621 C ASP A 25 3.126 -5.597 -18.411 1.00 0.00 C ATOM 622 O ASP A 25 3.727 -4.850 -19.175 1.00 0.00 O ATOM 623 CB ASP A 25 0.553 -5.481 -18.486 1.00 0.00 C ATOM 624 CG ASP A 25 0.564 -6.867 -19.150 1.00 0.00 C ATOM 625 OD1 ASP A 25 0.647 -7.891 -18.436 1.00 0.00 O ATOM 626 OD2 ASP A 25 0.476 -6.928 -20.395 1.00 0.00 O ATOM 0 H ASP A 25 1.015 -3.189 -17.903 1.00 0.00 H new ATOM 0 HA ASP A 25 1.833 -5.630 -16.732 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.301 -5.427 -17.811 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.397 -4.728 -19.258 1.00 0.00 H new ATOM 631 N ASP A 26 3.535 -6.853 -18.133 1.00 0.00 N ATOM 632 CA ASP A 26 4.775 -7.478 -18.677 1.00 0.00 C ATOM 633 C ASP A 26 4.630 -7.805 -20.175 1.00 0.00 C ATOM 634 O ASP A 26 5.591 -7.682 -20.945 1.00 0.00 O ATOM 635 CB ASP A 26 5.094 -8.761 -17.856 1.00 0.00 C ATOM 636 CG ASP A 26 6.262 -9.624 -18.388 1.00 0.00 C ATOM 637 OD1 ASP A 26 6.026 -10.531 -19.222 1.00 0.00 O ATOM 638 OD2 ASP A 26 7.416 -9.425 -17.947 1.00 0.00 O ATOM 0 H ASP A 26 3.012 -7.475 -17.517 1.00 0.00 H new ATOM 0 HA ASP A 26 5.600 -6.771 -18.585 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.321 -8.467 -16.831 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.197 -9.379 -17.819 1.00 0.00 H new ATOM 643 N ASP A 27 3.410 -8.193 -20.571 1.00 0.00 N ATOM 644 CA ASP A 27 3.084 -8.592 -21.957 1.00 0.00 C ATOM 645 C ASP A 27 2.851 -7.337 -22.840 1.00 0.00 C ATOM 646 O ASP A 27 2.849 -7.420 -24.074 1.00 0.00 O ATOM 647 CB ASP A 27 1.838 -9.528 -21.921 1.00 0.00 C ATOM 648 CG ASP A 27 1.289 -9.919 -23.306 1.00 0.00 C ATOM 649 OD1 ASP A 27 1.839 -10.846 -23.943 1.00 0.00 O ATOM 650 OD2 ASP A 27 0.301 -9.306 -23.762 1.00 0.00 O ATOM 0 H ASP A 27 2.612 -8.241 -19.938 1.00 0.00 H new ATOM 0 HA ASP A 27 3.916 -9.137 -22.404 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.098 -10.437 -21.378 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.046 -9.035 -21.357 1.00 0.00 H new ATOM 655 N ALA A 28 2.702 -6.166 -22.184 1.00 0.00 N ATOM 656 CA ALA A 28 2.639 -4.845 -22.852 1.00 0.00 C ATOM 657 C ALA A 28 3.958 -4.527 -23.598 1.00 0.00 C ATOM 658 O ALA A 28 4.965 -5.225 -23.445 1.00 0.00 O ATOM 659 CB ALA A 28 2.314 -3.744 -21.828 1.00 0.00 C ATOM 0 H ALA A 28 2.621 -6.109 -21.169 1.00 0.00 H new ATOM 0 HA ALA A 28 1.841 -4.879 -23.594 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.271 -2.779 -22.333 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.351 -3.953 -21.362 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.090 -3.719 -21.062 1.00 0.00 H new ATOM 665 N THR A 29 3.927 -3.498 -24.454 1.00 0.00 N ATOM 666 CA THR A 29 5.103 -3.052 -25.248 1.00 0.00 C ATOM 667 C THR A 29 5.211 -1.500 -25.218 1.00 0.00 C ATOM 668 O THR A 29 4.394 -0.853 -24.553 1.00 0.00 O ATOM 669 CB THR A 29 4.995 -3.577 -26.719 1.00 0.00 C ATOM 670 OG1 THR A 29 3.790 -3.101 -27.313 1.00 0.00 O ATOM 671 CG2 THR A 29 4.997 -5.116 -26.805 1.00 0.00 C ATOM 0 H THR A 29 3.088 -2.943 -24.623 1.00 0.00 H new ATOM 0 HA THR A 29 6.008 -3.467 -24.805 1.00 0.00 H new ATOM 0 HB THR A 29 5.872 -3.204 -27.248 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.007 -2.479 -28.039 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.920 -5.422 -27.848 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.923 -5.503 -26.381 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.149 -5.513 -26.247 1.00 0.00 H new ATOM 679 N VAL A 30 6.217 -0.915 -25.945 1.00 0.00 N ATOM 680 CA VAL A 30 6.437 0.574 -26.025 1.00 0.00 C ATOM 681 C VAL A 30 5.132 1.300 -26.426 1.00 0.00 C ATOM 682 O VAL A 30 4.801 2.368 -25.893 1.00 0.00 O ATOM 683 CB VAL A 30 7.583 0.966 -27.058 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.714 2.507 -27.239 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.952 0.368 -26.672 1.00 0.00 C ATOM 0 H VAL A 30 6.893 -1.454 -26.487 1.00 0.00 H new ATOM 0 HA VAL A 30 6.751 0.890 -25.030 1.00 0.00 H new ATOM 0 HB VAL A 30 7.277 0.533 -28.010 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.509 2.723 -27.953 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.772 2.911 -27.611 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.953 2.967 -26.280 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.699 0.665 -27.408 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.245 0.736 -25.689 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.880 -0.719 -26.646 1.00 0.00 H new ATOM 695 N GLY A 31 4.391 0.655 -27.327 1.00 0.00 N ATOM 696 CA GLY A 31 3.155 1.187 -27.871 1.00 0.00 C ATOM 697 C GLY A 31 2.014 1.213 -26.867 1.00 0.00 C ATOM 698 O GLY A 31 1.219 2.149 -26.857 1.00 0.00 O ATOM 0 H GLY A 31 4.640 -0.261 -27.700 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.333 2.199 -28.234 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.858 0.588 -28.732 1.00 0.00 H new ATOM 702 N ASP A 32 1.937 0.165 -26.020 1.00 0.00 N ATOM 703 CA ASP A 32 0.942 0.083 -24.923 1.00 0.00 C ATOM 704 C ASP A 32 1.252 1.121 -23.832 1.00 0.00 C ATOM 705 O ASP A 32 0.346 1.603 -23.144 1.00 0.00 O ATOM 706 CB ASP A 32 0.905 -1.336 -24.305 1.00 0.00 C ATOM 707 CG ASP A 32 0.429 -2.411 -25.294 1.00 0.00 C ATOM 708 OD1 ASP A 32 -0.799 -2.581 -25.457 1.00 0.00 O ATOM 709 OD2 ASP A 32 1.273 -3.065 -25.929 1.00 0.00 O ATOM 0 H ASP A 32 2.556 -0.644 -26.074 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.038 0.298 -25.349 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.901 -1.596 -23.947 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.245 -1.331 -23.437 1.00 0.00 H new ATOM 714 N VAL A 33 2.548 1.442 -23.683 1.00 0.00 N ATOM 715 CA VAL A 33 3.028 2.470 -22.751 1.00 0.00 C ATOM 716 C VAL A 33 2.520 3.853 -23.180 1.00 0.00 C ATOM 717 O VAL A 33 1.732 4.455 -22.448 1.00 0.00 O ATOM 718 CB VAL A 33 4.600 2.425 -22.656 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.180 3.612 -21.861 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.059 1.084 -22.046 1.00 0.00 C ATOM 0 H VAL A 33 3.295 0.991 -24.211 1.00 0.00 H new ATOM 0 HA VAL A 33 2.632 2.269 -21.756 1.00 0.00 H new ATOM 0 HB VAL A 33 4.987 2.509 -23.671 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.266 3.531 -21.827 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.901 4.547 -22.347 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.783 3.599 -20.846 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.147 1.065 -21.986 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.638 0.976 -21.046 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.716 0.262 -22.675 1.00 0.00 H new ATOM 730 N LEU A 34 2.888 4.310 -24.399 1.00 0.00 N ATOM 731 CA LEU A 34 2.453 5.637 -24.908 1.00 0.00 C ATOM 732 C LEU A 34 0.915 5.690 -25.085 1.00 0.00 C ATOM 733 O LEU A 34 0.303 6.739 -24.899 1.00 0.00 O ATOM 734 CB LEU A 34 3.266 6.090 -26.176 1.00 0.00 C ATOM 735 CG LEU A 34 3.518 5.049 -27.323 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.315 4.914 -28.262 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.806 5.388 -28.118 1.00 0.00 C ATOM 0 H LEU A 34 3.479 3.787 -25.045 1.00 0.00 H new ATOM 0 HA LEU A 34 2.693 6.384 -24.151 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.748 6.944 -26.613 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.238 6.447 -25.835 1.00 0.00 H new ATOM 0 HG LEU A 34 3.659 4.081 -26.842 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.539 4.182 -29.038 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.445 4.585 -27.694 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.103 5.879 -28.723 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.953 4.649 -28.905 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.709 6.378 -28.564 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.663 5.376 -27.445 1.00 0.00 H new ATOM 749 N ARG A 35 0.300 4.532 -25.389 1.00 0.00 N ATOM 750 CA ARG A 35 -1.173 4.377 -25.372 1.00 0.00 C ATOM 751 C ARG A 35 -1.774 4.837 -24.020 1.00 0.00 C ATOM 752 O ARG A 35 -2.760 5.580 -23.976 1.00 0.00 O ATOM 753 CB ARG A 35 -1.545 2.891 -25.698 1.00 0.00 C ATOM 754 CG ARG A 35 -3.014 2.449 -25.448 1.00 0.00 C ATOM 755 CD ARG A 35 -4.035 3.469 -25.968 1.00 0.00 C ATOM 756 NE ARG A 35 -5.428 3.046 -25.775 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.470 3.879 -25.639 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.301 5.205 -25.655 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.684 3.379 -25.477 1.00 0.00 N ATOM 0 H ARG A 35 0.801 3.683 -25.651 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.606 5.020 -26.139 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.312 2.708 -26.747 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.894 2.244 -25.110 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.187 1.488 -25.932 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.167 2.300 -24.379 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.878 4.421 -25.461 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.858 3.641 -27.030 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.617 2.044 -25.742 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.367 5.599 -25.772 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.106 5.823 -25.550 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.821 2.368 -25.456 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.483 4.004 -25.373 1.00 0.00 H new ATOM 773 N SER A 36 -1.170 4.391 -22.941 1.00 0.00 N ATOM 774 CA SER A 36 -1.610 4.722 -21.588 1.00 0.00 C ATOM 775 C SER A 36 -1.228 6.179 -21.199 1.00 0.00 C ATOM 776 O SER A 36 -1.937 6.815 -20.419 1.00 0.00 O ATOM 777 CB SER A 36 -1.042 3.698 -20.615 1.00 0.00 C ATOM 778 OG SER A 36 -1.405 2.378 -20.980 1.00 0.00 O ATOM 0 H SER A 36 -0.352 3.783 -22.970 1.00 0.00 H new ATOM 0 HA SER A 36 -2.698 4.678 -21.544 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.044 3.784 -20.588 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.403 3.911 -19.609 1.00 0.00 H new ATOM 0 HG SER A 36 -0.824 2.068 -21.706 1.00 0.00 H new ATOM 784 N LEU A 37 -0.083 6.677 -21.723 1.00 0.00 N ATOM 785 CA LEU A 37 0.416 8.054 -21.435 1.00 0.00 C ATOM 786 C LEU A 37 -0.584 9.153 -21.849 1.00 0.00 C ATOM 787 O LEU A 37 -0.609 10.210 -21.222 1.00 0.00 O ATOM 788 CB LEU A 37 1.813 8.317 -22.096 1.00 0.00 C ATOM 789 CG LEU A 37 3.073 8.039 -21.219 1.00 0.00 C ATOM 790 CD1 LEU A 37 3.041 8.852 -19.909 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.253 6.558 -20.947 1.00 0.00 C ATOM 0 H LEU A 37 0.520 6.146 -22.352 1.00 0.00 H new ATOM 0 HA LEU A 37 0.528 8.106 -20.352 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.884 7.704 -22.995 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.846 9.358 -22.416 1.00 0.00 H new ATOM 0 HG LEU A 37 3.941 8.371 -21.790 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.934 8.633 -19.323 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.011 9.916 -20.142 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.155 8.582 -19.335 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.141 6.406 -20.333 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.378 6.176 -20.421 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.369 6.026 -21.891 1.00 0.00 H new ATOM 803 N GLU A 38 -1.379 8.929 -22.915 1.00 0.00 N ATOM 804 CA GLU A 38 -2.439 9.893 -23.313 1.00 0.00 C ATOM 805 C GLU A 38 -3.678 9.770 -22.407 1.00 0.00 C ATOM 806 O GLU A 38 -4.408 10.752 -22.211 1.00 0.00 O ATOM 807 CB GLU A 38 -2.841 9.735 -24.804 1.00 0.00 C ATOM 808 CG GLU A 38 -3.188 8.299 -25.251 1.00 0.00 C ATOM 809 CD GLU A 38 -3.809 8.169 -26.656 1.00 0.00 C ATOM 810 OE1 GLU A 38 -3.784 9.148 -27.449 1.00 0.00 O ATOM 811 OE2 GLU A 38 -4.342 7.077 -26.969 1.00 0.00 O ATOM 0 H GLU A 38 -1.314 8.104 -23.511 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.017 10.890 -23.187 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.701 10.375 -25.000 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.023 10.102 -25.424 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.279 7.698 -25.218 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.880 7.870 -24.527 1.00 0.00 H new ATOM 818 N ALA A 39 -3.903 8.558 -21.864 1.00 0.00 N ATOM 819 CA ALA A 39 -5.022 8.286 -20.940 1.00 0.00 C ATOM 820 C ALA A 39 -4.813 9.003 -19.588 1.00 0.00 C ATOM 821 O ALA A 39 -5.777 9.429 -18.941 1.00 0.00 O ATOM 822 CB ALA A 39 -5.183 6.772 -20.741 1.00 0.00 C ATOM 0 H ALA A 39 -3.318 7.744 -22.052 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.938 8.678 -21.381 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.011 6.581 -20.058 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.388 6.299 -21.701 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.265 6.360 -20.322 1.00 0.00 H new ATOM 828 N GLU A 40 -3.538 9.133 -19.186 1.00 0.00 N ATOM 829 CA GLU A 40 -3.141 9.836 -17.951 1.00 0.00 C ATOM 830 C GLU A 40 -2.988 11.333 -18.211 1.00 0.00 C ATOM 831 O GLU A 40 -3.651 12.171 -17.586 1.00 0.00 O ATOM 832 CB GLU A 40 -1.794 9.284 -17.436 1.00 0.00 C ATOM 833 CG GLU A 40 -1.766 7.783 -17.180 1.00 0.00 C ATOM 834 CD GLU A 40 -2.697 7.322 -16.045 1.00 0.00 C ATOM 835 OE1 GLU A 40 -3.890 7.047 -16.302 1.00 0.00 O ATOM 836 OE2 GLU A 40 -2.239 7.233 -14.884 1.00 0.00 O ATOM 0 H GLU A 40 -2.749 8.753 -19.709 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.919 9.674 -17.205 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.018 9.528 -18.162 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.538 9.800 -16.510 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.044 7.264 -18.097 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.745 7.485 -16.942 1.00 0.00 H new ATOM 843 N TYR A 41 -2.085 11.642 -19.152 1.00 0.00 N ATOM 844 CA TYR A 41 -1.648 13.004 -19.438 1.00 0.00 C ATOM 845 C TYR A 41 -2.457 13.599 -20.598 1.00 0.00 C ATOM 846 O TYR A 41 -2.397 13.104 -21.731 1.00 0.00 O ATOM 847 CB TYR A 41 -0.130 13.035 -19.742 1.00 0.00 C ATOM 848 CG TYR A 41 0.755 12.701 -18.526 1.00 0.00 C ATOM 849 CD1 TYR A 41 1.097 11.383 -18.215 1.00 0.00 C ATOM 850 CD2 TYR A 41 1.246 13.709 -17.690 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.894 11.083 -17.122 1.00 0.00 C ATOM 852 CE2 TYR A 41 2.042 13.412 -16.596 1.00 0.00 C ATOM 853 CZ TYR A 41 2.360 12.099 -16.318 1.00 0.00 C ATOM 854 OH TYR A 41 3.154 11.806 -15.231 1.00 0.00 O ATOM 0 H TYR A 41 -1.636 10.940 -19.740 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.827 13.618 -18.555 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.085 12.326 -20.542 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.137 14.025 -20.113 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.733 10.581 -18.840 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.000 14.739 -17.902 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.149 10.057 -16.902 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.412 14.205 -15.963 1.00 0.00 H new ATOM 0 HH TYR A 41 3.398 12.636 -14.771 1.00 0.00 H new ATOM 864 N ASP A 42 -3.211 14.661 -20.285 1.00 0.00 N ATOM 865 CA ASP A 42 -4.061 15.386 -21.248 1.00 0.00 C ATOM 866 C ASP A 42 -3.214 16.108 -22.302 1.00 0.00 C ATOM 867 O ASP A 42 -3.616 16.229 -23.466 1.00 0.00 O ATOM 868 CB ASP A 42 -4.963 16.400 -20.504 1.00 0.00 C ATOM 869 CG ASP A 42 -5.891 15.722 -19.487 1.00 0.00 C ATOM 870 OD1 ASP A 42 -5.450 15.463 -18.343 1.00 0.00 O ATOM 871 OD2 ASP A 42 -7.049 15.404 -19.833 1.00 0.00 O ATOM 0 H ASP A 42 -3.251 15.049 -19.343 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.688 14.657 -21.760 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.337 17.130 -19.990 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.563 16.949 -21.230 1.00 0.00 H new ATOM 876 N GLY A 43 -2.023 16.561 -21.872 1.00 0.00 N ATOM 877 CA GLY A 43 -1.072 17.241 -22.748 1.00 0.00 C ATOM 878 C GLY A 43 -0.308 16.296 -23.676 1.00 0.00 C ATOM 879 O GLY A 43 0.486 16.760 -24.490 1.00 0.00 O ATOM 0 H GLY A 43 -1.700 16.463 -20.909 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.607 17.974 -23.351 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.357 17.792 -22.136 1.00 0.00 H new ATOM 883 N LEU A 44 -0.496 14.967 -23.509 1.00 0.00 N ATOM 884 CA LEU A 44 0.108 13.944 -24.396 1.00 0.00 C ATOM 885 C LEU A 44 -0.943 13.315 -25.326 1.00 0.00 C ATOM 886 O LEU A 44 -0.606 12.428 -26.106 1.00 0.00 O ATOM 887 CB LEU A 44 0.798 12.827 -23.561 1.00 0.00 C ATOM 888 CG LEU A 44 2.096 13.219 -22.797 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.701 12.019 -22.044 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.129 13.861 -23.739 1.00 0.00 C ATOM 0 H LEU A 44 -1.067 14.574 -22.761 1.00 0.00 H new ATOM 0 HA LEU A 44 0.856 14.448 -25.008 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.077 12.452 -22.835 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.035 12.000 -24.231 1.00 0.00 H new ATOM 0 HG LEU A 44 1.817 13.963 -22.051 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.605 12.334 -21.524 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.979 11.642 -21.320 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.948 11.230 -22.755 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.023 14.123 -23.174 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.391 13.155 -24.527 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.705 14.761 -24.185 1.00 0.00 H new ATOM 902 N ALA A 45 -2.193 13.792 -25.266 1.00 0.00 N ATOM 903 CA ALA A 45 -3.323 13.166 -25.988 1.00 0.00 C ATOM 904 C ALA A 45 -3.186 13.290 -27.531 1.00 0.00 C ATOM 905 O ALA A 45 -3.077 14.403 -28.061 1.00 0.00 O ATOM 906 CB ALA A 45 -4.635 13.795 -25.503 1.00 0.00 C ATOM 0 H ALA A 45 -2.455 14.615 -24.723 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.319 12.099 -25.767 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.473 13.340 -26.030 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.745 13.627 -24.432 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.620 14.867 -25.702 1.00 0.00 H new ATOM 912 N GLY A 46 -3.157 12.123 -28.225 1.00 0.00 N ATOM 913 CA GLY A 46 -3.211 12.055 -29.704 1.00 0.00 C ATOM 914 C GLY A 46 -1.951 12.533 -30.441 1.00 0.00 C ATOM 915 O GLY A 46 -1.944 12.599 -31.677 1.00 0.00 O ATOM 0 H GLY A 46 -3.096 11.209 -27.776 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.410 11.023 -29.995 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.057 12.651 -30.046 1.00 0.00 H new ATOM 919 N ARG A 47 -0.882 12.850 -29.689 1.00 0.00 N ATOM 920 CA ARG A 47 0.408 13.356 -30.243 1.00 0.00 C ATOM 921 C ARG A 47 1.543 12.340 -30.035 1.00 0.00 C ATOM 922 O ARG A 47 2.693 12.601 -30.395 1.00 0.00 O ATOM 923 CB ARG A 47 0.758 14.742 -29.619 1.00 0.00 C ATOM 924 CG ARG A 47 0.446 14.845 -28.119 1.00 0.00 C ATOM 925 CD ARG A 47 0.818 16.192 -27.490 1.00 0.00 C ATOM 926 NE ARG A 47 0.321 17.360 -28.249 1.00 0.00 N ATOM 927 CZ ARG A 47 0.154 18.599 -27.751 1.00 0.00 C ATOM 928 NH1 ARG A 47 0.397 18.859 -26.471 1.00 0.00 N ATOM 929 NH2 ARG A 47 -0.264 19.573 -28.546 1.00 0.00 N ATOM 0 H ARG A 47 -0.878 12.765 -28.673 1.00 0.00 H new ATOM 0 HA ARG A 47 0.291 13.488 -31.319 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.818 14.942 -29.774 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.206 15.518 -30.149 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.619 14.668 -27.968 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.978 14.052 -27.594 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.419 16.232 -26.476 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.903 16.258 -27.409 1.00 0.00 H new ATOM 0 HE ARG A 47 0.085 17.214 -29.231 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.715 18.114 -25.851 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.266 19.803 -26.109 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.457 19.381 -29.529 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.393 20.514 -28.175 1.00 0.00 H new ATOM 943 N LEU A 48 1.188 11.166 -29.512 1.00 0.00 N ATOM 944 CA LEU A 48 2.126 10.061 -29.205 1.00 0.00 C ATOM 945 C LEU A 48 1.657 8.755 -29.881 1.00 0.00 C ATOM 946 O LEU A 48 2.362 7.749 -29.857 1.00 0.00 O ATOM 947 CB LEU A 48 2.267 9.907 -27.659 1.00 0.00 C ATOM 948 CG LEU A 48 1.093 9.261 -26.832 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.254 9.590 -25.339 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.315 9.635 -27.329 1.00 0.00 C ATOM 0 H LEU A 48 0.220 10.942 -29.281 1.00 0.00 H new ATOM 0 HA LEU A 48 3.112 10.293 -29.608 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.163 9.315 -27.470 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.448 10.900 -27.247 1.00 0.00 H new ATOM 0 HG LEU A 48 1.173 8.185 -26.985 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.437 9.138 -24.777 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.204 9.194 -24.980 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.236 10.671 -25.201 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.063 9.147 -26.704 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.445 10.716 -27.274 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.435 9.307 -28.361 1.00 0.00 H new ATOM 962 N ILE A 49 0.427 8.799 -30.450 1.00 0.00 N ATOM 963 CA ILE A 49 -0.151 7.750 -31.312 1.00 0.00 C ATOM 964 C ILE A 49 -0.663 8.412 -32.608 1.00 0.00 C ATOM 965 O ILE A 49 -1.240 9.512 -32.569 1.00 0.00 O ATOM 966 CB ILE A 49 -1.341 6.963 -30.619 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.823 6.125 -29.418 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.106 6.051 -31.627 1.00 0.00 C ATOM 969 CD1 ILE A 49 -1.865 5.229 -28.764 1.00 0.00 C ATOM 0 H ILE A 49 -0.204 9.589 -30.315 1.00 0.00 H new ATOM 0 HA ILE A 49 0.632 7.020 -31.517 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.046 7.709 -30.251 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.006 5.505 -29.758 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.425 6.805 -28.664 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.912 5.532 -31.109 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.524 6.663 -32.427 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.418 5.320 -32.051 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.409 4.685 -27.937 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.686 5.840 -28.388 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.247 4.520 -29.498 1.00 0.00 H new ATOM 981 N GLU A 50 -0.400 7.765 -33.755 1.00 0.00 N ATOM 982 CA GLU A 50 -1.130 8.008 -35.013 1.00 0.00 C ATOM 983 C GLU A 50 -1.613 6.680 -35.583 1.00 0.00 C ATOM 984 O GLU A 50 -0.813 5.889 -36.063 1.00 0.00 O ATOM 985 CB GLU A 50 -0.268 8.769 -36.061 1.00 0.00 C ATOM 986 CG GLU A 50 -0.460 10.287 -36.039 1.00 0.00 C ATOM 987 CD GLU A 50 -1.896 10.744 -36.333 1.00 0.00 C ATOM 988 OE1 GLU A 50 -2.330 10.653 -37.500 1.00 0.00 O ATOM 989 OE2 GLU A 50 -2.592 11.193 -35.395 1.00 0.00 O ATOM 0 H GLU A 50 0.328 7.055 -33.838 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.984 8.646 -34.786 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.784 8.543 -35.884 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.511 8.396 -37.056 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.163 10.665 -35.061 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.210 10.737 -36.772 1.00 0.00 H new ATOM 996 N ASP A 51 -2.922 6.457 -35.500 1.00 0.00 N ATOM 997 CA ASP A 51 -3.632 5.338 -36.146 1.00 0.00 C ATOM 998 C ASP A 51 -3.007 3.951 -35.812 1.00 0.00 C ATOM 999 O ASP A 51 -2.854 3.083 -36.682 1.00 0.00 O ATOM 1000 CB ASP A 51 -3.734 5.588 -37.683 1.00 0.00 C ATOM 1001 CG ASP A 51 -4.800 4.714 -38.369 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -6.004 5.035 -38.241 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -4.451 3.704 -39.023 1.00 0.00 O ATOM 0 H ASP A 51 -3.544 7.064 -34.967 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.641 5.303 -35.736 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.966 6.638 -37.859 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.764 5.394 -38.141 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.625 3.764 -34.539 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.117 2.472 -34.056 1.00 0.00 C ATOM 1010 C GLY A 52 -0.603 2.311 -34.120 1.00 0.00 C ATOM 1011 O GLY A 52 -0.084 1.304 -33.633 1.00 0.00 O ATOM 0 H GLY A 52 -2.659 4.492 -33.826 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.439 2.335 -33.024 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.577 1.676 -34.641 1.00 0.00 H new ATOM 1015 N GLU A 53 0.108 3.279 -34.735 1.00 0.00 N ATOM 1016 CA GLU A 53 1.593 3.372 -34.668 1.00 0.00 C ATOM 1017 C GLU A 53 1.984 4.602 -33.824 1.00 0.00 C ATOM 1018 O GLU A 53 1.103 5.248 -33.240 1.00 0.00 O ATOM 1019 CB GLU A 53 2.224 3.442 -36.083 1.00 0.00 C ATOM 1020 CG GLU A 53 1.764 4.644 -36.916 1.00 0.00 C ATOM 1021 CD GLU A 53 2.496 4.797 -38.255 1.00 0.00 C ATOM 1022 OE1 GLU A 53 3.611 5.361 -38.280 1.00 0.00 O ATOM 1023 OE2 GLU A 53 1.953 4.364 -39.298 1.00 0.00 O ATOM 0 H GLU A 53 -0.323 4.018 -35.291 1.00 0.00 H new ATOM 0 HA GLU A 53 1.982 2.471 -34.194 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.309 3.477 -35.984 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.982 2.526 -36.622 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.695 4.552 -37.107 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.906 5.553 -36.331 1.00 0.00 H new ATOM 1030 N VAL A 54 3.298 4.918 -33.736 1.00 0.00 N ATOM 1031 CA VAL A 54 3.777 5.989 -32.830 1.00 0.00 C ATOM 1032 C VAL A 54 3.363 7.422 -33.304 1.00 0.00 C ATOM 1033 O VAL A 54 2.640 8.071 -32.581 1.00 0.00 O ATOM 1034 CB VAL A 54 5.339 5.896 -32.593 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.700 4.613 -31.798 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.144 5.960 -33.922 1.00 0.00 C ATOM 0 H VAL A 54 4.033 4.456 -34.271 1.00 0.00 H new ATOM 0 HA VAL A 54 3.278 5.821 -31.875 1.00 0.00 H new ATOM 0 HB VAL A 54 5.623 6.767 -32.003 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.779 4.570 -31.647 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.198 4.631 -30.830 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.377 3.735 -32.358 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.210 5.892 -33.705 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.851 5.130 -34.565 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.936 6.903 -34.428 1.00 0.00 H new ATOM 1046 N LYS A 55 3.720 7.840 -34.553 1.00 0.00 N ATOM 1047 CA LYS A 55 3.466 9.219 -35.107 1.00 0.00 C ATOM 1048 C LYS A 55 4.538 9.551 -36.167 1.00 0.00 C ATOM 1049 O LYS A 55 5.720 9.264 -35.957 1.00 0.00 O ATOM 1050 CB LYS A 55 3.454 10.347 -34.002 1.00 0.00 C ATOM 1051 CG LYS A 55 3.503 11.837 -34.460 1.00 0.00 C ATOM 1052 CD LYS A 55 2.120 12.415 -34.829 1.00 0.00 C ATOM 1053 CE LYS A 55 1.160 12.450 -33.626 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.190 12.957 -33.977 1.00 0.00 N ATOM 0 H LYS A 55 4.197 7.229 -35.216 1.00 0.00 H new ATOM 0 HA LYS A 55 2.470 9.202 -35.550 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.554 10.214 -33.402 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.305 10.175 -33.343 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.939 12.439 -33.663 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.165 11.922 -35.322 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.244 13.424 -35.221 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.679 11.815 -35.625 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.069 11.446 -33.211 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.587 13.080 -32.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.892 12.556 -33.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.201 13.994 -33.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.424 12.677 -34.951 1.00 0.00 H new ATOM 1068 N PRO A 56 4.133 10.135 -37.337 1.00 0.00 N ATOM 1069 CA PRO A 56 5.073 10.751 -38.300 1.00 0.00 C ATOM 1070 C PRO A 56 5.817 11.962 -37.681 1.00 0.00 C ATOM 1071 O PRO A 56 5.191 12.818 -37.039 1.00 0.00 O ATOM 1072 CB PRO A 56 4.148 11.199 -39.474 1.00 0.00 C ATOM 1073 CG PRO A 56 2.794 11.319 -38.844 1.00 0.00 C ATOM 1074 CD PRO A 56 2.737 10.205 -37.838 1.00 0.00 C ATOM 0 HA PRO A 56 5.860 10.065 -38.613 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.475 12.147 -39.900 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.148 10.469 -40.283 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.665 12.290 -38.366 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.002 11.222 -39.587 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.031 10.421 -37.036 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.424 9.265 -38.294 1.00 0.00 H new ATOM 1082 N HIS A 57 7.155 11.987 -37.852 1.00 0.00 N ATOM 1083 CA HIS A 57 8.040 13.138 -37.498 1.00 0.00 C ATOM 1084 C HIS A 57 8.321 13.263 -35.979 1.00 0.00 C ATOM 1085 O HIS A 57 9.089 14.146 -35.567 1.00 0.00 O ATOM 1086 CB HIS A 57 7.527 14.491 -38.100 1.00 0.00 C ATOM 1087 CG HIS A 57 7.494 14.541 -39.616 1.00 0.00 C ATOM 1088 ND1 HIS A 57 7.915 15.629 -40.356 1.00 0.00 N ATOM 1089 CD2 HIS A 57 7.065 13.631 -40.525 1.00 0.00 C ATOM 1090 CE1 HIS A 57 7.742 15.386 -41.641 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.231 14.180 -41.768 1.00 0.00 N ATOM 0 H HIS A 57 7.669 11.199 -38.246 1.00 0.00 H new ATOM 0 HA HIS A 57 8.999 12.912 -37.964 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.523 14.683 -37.722 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.164 15.298 -37.738 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.665 12.651 -40.308 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.979 16.061 -42.450 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.996 13.727 -42.651 1.00 0.00 H new ATOM 1100 N VAL A 58 7.704 12.383 -35.160 1.00 0.00 N ATOM 1101 CA VAL A 58 8.045 12.232 -33.724 1.00 0.00 C ATOM 1102 C VAL A 58 9.367 11.452 -33.615 1.00 0.00 C ATOM 1103 O VAL A 58 9.727 10.719 -34.544 1.00 0.00 O ATOM 1104 CB VAL A 58 6.889 11.502 -32.902 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.978 9.955 -32.965 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.824 11.980 -31.432 1.00 0.00 C ATOM 0 H VAL A 58 6.959 11.759 -35.471 1.00 0.00 H new ATOM 0 HA VAL A 58 8.155 13.224 -33.285 1.00 0.00 H new ATOM 0 HB VAL A 58 5.962 11.791 -33.396 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.164 9.520 -32.386 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.901 9.628 -34.002 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.932 9.628 -32.552 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.022 11.455 -30.914 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.773 11.770 -30.939 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.631 13.052 -31.406 1.00 0.00 H new ATOM 1116 N ASN A 59 10.115 11.646 -32.519 1.00 0.00 N ATOM 1117 CA ASN A 59 11.312 10.835 -32.242 1.00 0.00 C ATOM 1118 C ASN A 59 11.124 10.132 -30.899 1.00 0.00 C ATOM 1119 O ASN A 59 11.274 10.737 -29.854 1.00 0.00 O ATOM 1120 CB ASN A 59 12.582 11.728 -32.237 1.00 0.00 C ATOM 1121 CG ASN A 59 12.861 12.378 -33.597 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.367 13.467 -33.898 1.00 0.00 O ATOM 1123 ND2 ASN A 59 13.648 11.714 -34.432 1.00 0.00 N ATOM 0 H ASN A 59 9.914 12.354 -31.812 1.00 0.00 H new ATOM 0 HA ASN A 59 11.445 10.086 -33.023 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.468 12.508 -31.484 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.442 11.126 -31.945 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.859 12.102 -35.351 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.042 10.815 -34.155 1.00 0.00 H new ATOM 1130 N VAL A 60 10.815 8.833 -30.944 1.00 0.00 N ATOM 1131 CA VAL A 60 10.620 8.001 -29.744 1.00 0.00 C ATOM 1132 C VAL A 60 11.674 6.896 -29.705 1.00 0.00 C ATOM 1133 O VAL A 60 12.113 6.412 -30.745 1.00 0.00 O ATOM 1134 CB VAL A 60 9.177 7.387 -29.658 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.136 8.458 -29.223 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.753 6.726 -30.993 1.00 0.00 C ATOM 0 H VAL A 60 10.691 8.322 -31.818 1.00 0.00 H new ATOM 0 HA VAL A 60 10.734 8.651 -28.876 1.00 0.00 H new ATOM 0 HB VAL A 60 9.206 6.607 -28.897 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.146 8.004 -29.172 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.406 8.851 -28.243 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.125 9.271 -29.949 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.749 6.313 -30.892 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.760 7.473 -31.787 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.451 5.926 -31.241 1.00 0.00 H new ATOM 1146 N LEU A 61 12.061 6.528 -28.480 1.00 0.00 N ATOM 1147 CA LEU A 61 13.274 5.752 -28.174 1.00 0.00 C ATOM 1148 C LEU A 61 12.941 4.591 -27.215 1.00 0.00 C ATOM 1149 O LEU A 61 11.839 4.503 -26.672 1.00 0.00 O ATOM 1150 CB LEU A 61 14.386 6.647 -27.533 1.00 0.00 C ATOM 1151 CG LEU A 61 15.121 7.713 -28.420 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.215 8.875 -28.843 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.389 8.250 -27.718 1.00 0.00 C ATOM 0 H LEU A 61 11.525 6.768 -27.646 1.00 0.00 H new ATOM 0 HA LEU A 61 13.651 5.356 -29.117 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.937 7.175 -26.692 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.146 5.982 -27.123 1.00 0.00 H new ATOM 0 HG LEU A 61 15.414 7.191 -29.331 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.784 9.576 -29.454 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.375 8.490 -29.421 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.841 9.387 -27.956 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.875 8.986 -28.358 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.111 8.717 -26.773 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.076 7.426 -27.527 1.00 0.00 H new ATOM 1165 N LYS A 62 13.944 3.735 -27.001 1.00 0.00 N ATOM 1166 CA LYS A 62 13.836 2.474 -26.249 1.00 0.00 C ATOM 1167 C LYS A 62 15.249 2.099 -25.767 1.00 0.00 C ATOM 1168 O LYS A 62 16.083 1.680 -26.575 1.00 0.00 O ATOM 1169 CB LYS A 62 13.227 1.399 -27.197 1.00 0.00 C ATOM 1170 CG LYS A 62 13.518 -0.074 -26.876 1.00 0.00 C ATOM 1171 CD LYS A 62 12.801 -0.597 -25.635 1.00 0.00 C ATOM 1172 CE LYS A 62 13.226 -2.035 -25.308 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.690 -2.159 -25.082 1.00 0.00 N ATOM 0 H LYS A 62 14.885 3.903 -27.356 1.00 0.00 H new ATOM 0 HA LYS A 62 13.187 2.558 -25.377 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.145 1.534 -27.208 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.584 1.600 -28.207 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.231 -0.684 -27.732 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.592 -0.199 -26.741 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.020 0.051 -24.786 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.723 -0.561 -25.793 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.694 -2.374 -24.419 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.931 -2.692 -26.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.916 -3.134 -24.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.198 -1.927 -25.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.982 -1.503 -24.329 1.00 0.00 H new ATOM 1187 N ASN A 63 15.514 2.289 -24.458 1.00 0.00 N ATOM 1188 CA ASN A 63 16.880 2.222 -23.852 1.00 0.00 C ATOM 1189 C ASN A 63 17.874 3.139 -24.628 1.00 0.00 C ATOM 1190 O ASN A 63 19.073 2.843 -24.758 1.00 0.00 O ATOM 1191 CB ASN A 63 17.392 0.746 -23.774 1.00 0.00 C ATOM 1192 CG ASN A 63 18.611 0.552 -22.856 1.00 0.00 C ATOM 1193 OD1 ASN A 63 18.749 1.232 -21.839 1.00 0.00 O ATOM 1194 ND2 ASN A 63 19.520 -0.339 -23.230 1.00 0.00 N ATOM 0 H ASN A 63 14.784 2.496 -23.776 1.00 0.00 H new ATOM 0 HA ASN A 63 16.818 2.594 -22.829 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.580 0.109 -23.422 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.649 0.408 -24.778 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.361 -0.475 -22.670 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.378 -0.888 -24.078 1.00 0.00 H new ATOM 1201 N GLY A 64 17.348 4.278 -25.111 1.00 0.00 N ATOM 1202 CA GLY A 64 18.120 5.233 -25.916 1.00 0.00 C ATOM 1203 C GLY A 64 18.113 4.941 -27.427 1.00 0.00 C ATOM 1204 O GLY A 64 18.493 5.803 -28.220 1.00 0.00 O ATOM 0 H GLY A 64 16.380 4.559 -24.954 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.723 6.234 -25.750 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.151 5.237 -25.564 1.00 0.00 H new ATOM 1208 N ARG A 65 17.679 3.731 -27.834 1.00 0.00 N ATOM 1209 CA ARG A 65 17.596 3.341 -29.264 1.00 0.00 C ATOM 1210 C ARG A 65 16.279 3.848 -29.874 1.00 0.00 C ATOM 1211 O ARG A 65 15.198 3.407 -29.472 1.00 0.00 O ATOM 1212 CB ARG A 65 17.689 1.801 -29.435 1.00 0.00 C ATOM 1213 CG ARG A 65 17.838 1.336 -30.905 1.00 0.00 C ATOM 1214 CD ARG A 65 19.172 1.795 -31.527 1.00 0.00 C ATOM 1215 NE ARG A 65 19.328 1.376 -32.934 1.00 0.00 N ATOM 1216 CZ ARG A 65 20.499 1.335 -33.602 1.00 0.00 C ATOM 1217 NH1 ARG A 65 21.635 1.690 -33.018 1.00 0.00 N ATOM 1218 NH2 ARG A 65 20.517 0.923 -34.855 1.00 0.00 N ATOM 0 H ARG A 65 17.378 2.999 -27.190 1.00 0.00 H new ATOM 0 HA ARG A 65 18.439 3.796 -29.783 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.539 1.433 -28.861 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.795 1.344 -29.009 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.773 0.249 -30.949 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.010 1.729 -31.495 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.239 2.881 -31.468 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.998 1.392 -30.940 1.00 0.00 H new ATOM 0 HE ARG A 65 18.487 1.096 -33.439 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.634 2.001 -32.047 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.510 1.652 -33.540 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.650 0.639 -35.311 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.398 0.889 -35.368 1.00 0.00 H new ATOM 1232 N GLU A 66 16.384 4.744 -30.861 1.00 0.00 N ATOM 1233 CA GLU A 66 15.233 5.453 -31.428 1.00 0.00 C ATOM 1234 C GLU A 66 14.386 4.512 -32.330 1.00 0.00 C ATOM 1235 O GLU A 66 14.792 4.154 -33.437 1.00 0.00 O ATOM 1236 CB GLU A 66 15.730 6.717 -32.179 1.00 0.00 C ATOM 1237 CG GLU A 66 14.670 7.818 -32.346 1.00 0.00 C ATOM 1238 CD GLU A 66 15.205 9.050 -33.091 1.00 0.00 C ATOM 1239 OE1 GLU A 66 15.248 9.031 -34.336 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.610 10.031 -32.439 1.00 0.00 O ATOM 0 H GLU A 66 17.273 4.999 -31.290 1.00 0.00 H new ATOM 0 HA GLU A 66 14.570 5.778 -30.626 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.584 7.131 -31.642 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.087 6.421 -33.166 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.815 7.414 -32.888 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.310 8.121 -31.363 1.00 0.00 H new ATOM 1247 N VAL A 67 13.203 4.122 -31.818 1.00 0.00 N ATOM 1248 CA VAL A 67 12.300 3.130 -32.449 1.00 0.00 C ATOM 1249 C VAL A 67 11.512 3.655 -33.664 1.00 0.00 C ATOM 1250 O VAL A 67 10.745 2.893 -34.256 1.00 0.00 O ATOM 1251 CB VAL A 67 11.324 2.480 -31.407 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.091 1.589 -30.422 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.486 3.535 -30.651 1.00 0.00 C ATOM 0 H VAL A 67 12.838 4.491 -30.940 1.00 0.00 H new ATOM 0 HA VAL A 67 12.974 2.365 -32.836 1.00 0.00 H new ATOM 0 HB VAL A 67 10.627 1.859 -31.969 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.393 1.150 -29.709 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.599 0.795 -30.969 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.827 2.189 -29.886 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.826 3.035 -29.942 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.151 4.211 -30.114 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.889 4.104 -31.363 1.00 0.00 H new ATOM 1263 N VAL A 68 11.676 4.938 -34.043 1.00 0.00 N ATOM 1264 CA VAL A 68 11.086 5.454 -35.308 1.00 0.00 C ATOM 1265 C VAL A 68 11.812 4.875 -36.545 1.00 0.00 C ATOM 1266 O VAL A 68 11.309 4.983 -37.669 1.00 0.00 O ATOM 1267 CB VAL A 68 11.081 7.024 -35.380 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.368 7.619 -34.153 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.506 7.610 -35.554 1.00 0.00 C ATOM 0 H VAL A 68 12.201 5.630 -33.507 1.00 0.00 H new ATOM 0 HA VAL A 68 10.049 5.120 -35.313 1.00 0.00 H new ATOM 0 HB VAL A 68 10.522 7.310 -36.271 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.375 8.707 -34.220 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.338 7.263 -34.123 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.886 7.309 -33.245 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.449 8.698 -35.598 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.127 7.313 -34.709 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.945 7.232 -36.477 1.00 0.00 H new ATOM 1279 N HIS A 69 13.006 4.284 -36.321 1.00 0.00 N ATOM 1280 CA HIS A 69 13.803 3.626 -37.375 1.00 0.00 C ATOM 1281 C HIS A 69 13.348 2.162 -37.571 1.00 0.00 C ATOM 1282 O HIS A 69 13.498 1.593 -38.662 1.00 0.00 O ATOM 1283 CB HIS A 69 15.313 3.669 -37.013 1.00 0.00 C ATOM 1284 CG HIS A 69 15.847 5.045 -36.685 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.729 6.125 -37.531 1.00 0.00 N ATOM 1286 CD2 HIS A 69 16.479 5.515 -35.579 1.00 0.00 C ATOM 1287 CE1 HIS A 69 16.265 7.190 -36.965 1.00 0.00 C ATOM 1288 NE2 HIS A 69 16.725 6.850 -35.781 1.00 0.00 N ATOM 0 H HIS A 69 13.444 4.251 -35.400 1.00 0.00 H new ATOM 0 HA HIS A 69 13.646 4.166 -38.309 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.486 3.014 -36.159 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.884 3.262 -37.848 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.740 4.943 -34.701 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.317 8.176 -37.402 1.00 0.00 H new ATOM 0 HE2 HIS A 69 17.188 7.475 -35.122 1.00 0.00 H new ATOM 1297 N LEU A 70 12.798 1.567 -36.491 1.00 0.00 N ATOM 1298 CA LEU A 70 12.362 0.152 -36.454 1.00 0.00 C ATOM 1299 C LEU A 70 10.924 0.060 -35.896 1.00 0.00 C ATOM 1300 O LEU A 70 10.125 0.981 -36.105 1.00 0.00 O ATOM 1301 CB LEU A 70 13.382 -0.735 -35.652 1.00 0.00 C ATOM 1302 CG LEU A 70 13.684 -0.346 -34.152 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.279 -1.538 -33.371 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.633 0.871 -34.056 1.00 0.00 C ATOM 0 H LEU A 70 12.642 2.059 -35.611 1.00 0.00 H new ATOM 0 HA LEU A 70 12.347 -0.245 -37.469 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.013 -1.761 -35.663 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.327 -0.730 -36.195 1.00 0.00 H new ATOM 0 HG LEU A 70 12.730 -0.073 -33.701 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.476 -1.237 -32.342 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.571 -2.367 -33.378 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.211 -1.852 -33.841 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.816 1.108 -33.008 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.578 0.635 -34.546 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.175 1.730 -34.547 1.00 0.00 H new ATOM 1316 N ASP A 71 10.577 -1.081 -35.265 1.00 0.00 N ATOM 1317 CA ASP A 71 9.274 -1.275 -34.609 1.00 0.00 C ATOM 1318 C ASP A 71 9.095 -0.308 -33.418 1.00 0.00 C ATOM 1319 O ASP A 71 9.760 -0.454 -32.386 1.00 0.00 O ATOM 1320 CB ASP A 71 9.139 -2.739 -34.128 1.00 0.00 C ATOM 1321 CG ASP A 71 9.022 -3.746 -35.284 1.00 0.00 C ATOM 1322 OD1 ASP A 71 7.889 -3.974 -35.781 1.00 0.00 O ATOM 1323 OD2 ASP A 71 10.056 -4.314 -35.708 1.00 0.00 O ATOM 0 H ASP A 71 11.194 -1.891 -35.198 1.00 0.00 H new ATOM 0 HA ASP A 71 8.493 -1.059 -35.338 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.004 -2.996 -33.517 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.260 -2.825 -33.489 1.00 0.00 H new ATOM 1328 N GLY A 72 8.206 0.685 -33.590 1.00 0.00 N ATOM 1329 CA GLY A 72 7.903 1.655 -32.539 1.00 0.00 C ATOM 1330 C GLY A 72 6.962 1.105 -31.487 1.00 0.00 C ATOM 1331 O GLY A 72 7.164 1.316 -30.289 1.00 0.00 O ATOM 0 H GLY A 72 7.685 0.832 -34.455 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.831 1.969 -32.061 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.459 2.544 -32.988 1.00 0.00 H new ATOM 1335 N MET A 73 5.923 0.396 -31.947 1.00 0.00 N ATOM 1336 CA MET A 73 4.870 -0.150 -31.072 1.00 0.00 C ATOM 1337 C MET A 73 5.359 -1.373 -30.278 1.00 0.00 C ATOM 1338 O MET A 73 5.054 -1.496 -29.099 1.00 0.00 O ATOM 1339 CB MET A 73 3.610 -0.494 -31.917 1.00 0.00 C ATOM 1340 CG MET A 73 2.659 0.692 -32.132 1.00 0.00 C ATOM 1341 SD MET A 73 1.656 1.011 -30.659 1.00 0.00 S ATOM 1342 CE MET A 73 1.120 2.702 -30.899 1.00 0.00 C ATOM 0 H MET A 73 5.786 0.183 -32.935 1.00 0.00 H new ATOM 0 HA MET A 73 4.607 0.613 -30.339 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.929 -0.872 -32.889 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.064 -1.299 -31.425 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.236 1.583 -32.381 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.007 0.488 -32.981 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.814 3.126 -29.943 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.941 3.289 -31.310 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.278 2.722 -31.591 1.00 0.00 H new ATOM 1352 N ALA A 74 6.150 -2.243 -30.918 1.00 0.00 N ATOM 1353 CA ALA A 74 6.590 -3.518 -30.304 1.00 0.00 C ATOM 1354 C ALA A 74 7.977 -3.943 -30.819 1.00 0.00 C ATOM 1355 O ALA A 74 8.096 -4.764 -31.740 1.00 0.00 O ATOM 1356 CB ALA A 74 5.530 -4.615 -30.540 1.00 0.00 C ATOM 0 H ALA A 74 6.503 -2.094 -31.863 1.00 0.00 H new ATOM 0 HA ALA A 74 6.688 -3.367 -29.229 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.864 -5.547 -30.085 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.585 -4.310 -30.091 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.392 -4.763 -31.611 1.00 0.00 H new ATOM 1362 N THR A 75 9.017 -3.308 -30.257 1.00 0.00 N ATOM 1363 CA THR A 75 10.424 -3.640 -30.532 1.00 0.00 C ATOM 1364 C THR A 75 10.908 -4.858 -29.691 1.00 0.00 C ATOM 1365 O THR A 75 11.236 -5.905 -30.256 1.00 0.00 O ATOM 1366 CB THR A 75 11.355 -2.388 -30.323 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.741 -2.766 -30.373 1.00 0.00 O ATOM 1368 CG2 THR A 75 11.062 -1.635 -29.009 1.00 0.00 C ATOM 0 H THR A 75 8.904 -2.542 -29.593 1.00 0.00 H new ATOM 0 HA THR A 75 10.490 -3.931 -31.580 1.00 0.00 H new ATOM 0 HB THR A 75 11.136 -1.705 -31.143 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.301 -1.973 -30.243 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.735 -0.782 -28.921 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.030 -1.284 -29.013 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.214 -2.306 -28.164 1.00 0.00 H new ATOM 1376 N ALA A 76 10.897 -4.707 -28.343 1.00 0.00 N ATOM 1377 CA ALA A 76 11.506 -5.666 -27.377 1.00 0.00 C ATOM 1378 C ALA A 76 11.385 -5.116 -25.937 1.00 0.00 C ATOM 1379 O ALA A 76 12.275 -5.325 -25.105 1.00 0.00 O ATOM 1380 CB ALA A 76 12.979 -5.955 -27.708 1.00 0.00 C ATOM 0 H ALA A 76 10.460 -3.906 -27.887 1.00 0.00 H new ATOM 0 HA ALA A 76 10.959 -6.606 -27.456 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.384 -6.658 -26.980 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.050 -6.386 -28.707 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.549 -5.027 -27.672 1.00 0.00 H new ATOM 1386 N LEU A 77 10.288 -4.395 -25.658 1.00 0.00 N ATOM 1387 CA LEU A 77 10.120 -3.614 -24.420 1.00 0.00 C ATOM 1388 C LEU A 77 9.853 -4.542 -23.223 1.00 0.00 C ATOM 1389 O LEU A 77 8.811 -5.200 -23.149 1.00 0.00 O ATOM 1390 CB LEU A 77 8.982 -2.579 -24.622 1.00 0.00 C ATOM 1391 CG LEU A 77 8.818 -1.410 -23.576 1.00 0.00 C ATOM 1392 CD1 LEU A 77 7.787 -1.721 -22.489 1.00 0.00 C ATOM 1393 CD2 LEU A 77 10.161 -1.000 -22.965 1.00 0.00 C ATOM 0 H LEU A 77 9.488 -4.336 -26.288 1.00 0.00 H new ATOM 0 HA LEU A 77 11.040 -3.073 -24.197 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.120 -2.126 -25.604 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.040 -3.127 -24.654 1.00 0.00 H new ATOM 0 HG LEU A 77 8.432 -0.559 -24.137 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.720 -0.879 -21.800 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.814 -1.892 -22.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.092 -2.613 -21.943 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.004 -0.192 -22.250 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.605 -1.855 -22.455 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.831 -0.660 -23.755 1.00 0.00 H new ATOM 1405 N ASP A 78 10.829 -4.556 -22.301 1.00 0.00 N ATOM 1406 CA ASP A 78 10.872 -5.437 -21.125 1.00 0.00 C ATOM 1407 C ASP A 78 11.120 -4.594 -19.859 1.00 0.00 C ATOM 1408 O ASP A 78 11.237 -3.366 -19.934 1.00 0.00 O ATOM 1409 CB ASP A 78 12.013 -6.496 -21.285 1.00 0.00 C ATOM 1410 CG ASP A 78 11.985 -7.284 -22.612 1.00 0.00 C ATOM 1411 OD1 ASP A 78 10.911 -7.792 -23.003 1.00 0.00 O ATOM 1412 OD2 ASP A 78 13.046 -7.425 -23.253 1.00 0.00 O ATOM 0 H ASP A 78 11.635 -3.934 -22.356 1.00 0.00 H new ATOM 0 HA ASP A 78 9.918 -5.957 -21.036 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.974 -5.989 -21.200 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.952 -7.203 -20.458 1.00 0.00 H new ATOM 1417 N ASP A 79 11.221 -5.277 -18.708 1.00 0.00 N ATOM 1418 CA ASP A 79 11.390 -4.645 -17.384 1.00 0.00 C ATOM 1419 C ASP A 79 12.744 -3.929 -17.246 1.00 0.00 C ATOM 1420 O ASP A 79 13.740 -4.323 -17.863 1.00 0.00 O ATOM 1421 CB ASP A 79 11.227 -5.712 -16.262 1.00 0.00 C ATOM 1422 CG ASP A 79 12.351 -6.763 -16.233 1.00 0.00 C ATOM 1423 OD1 ASP A 79 12.414 -7.614 -17.151 1.00 0.00 O ATOM 1424 OD2 ASP A 79 13.185 -6.736 -15.298 1.00 0.00 O ATOM 0 H ASP A 79 11.188 -6.296 -18.667 1.00 0.00 H new ATOM 0 HA ASP A 79 10.615 -3.886 -17.283 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.190 -5.207 -15.297 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.271 -6.220 -16.393 1.00 0.00 H new ATOM 1429 N GLY A 80 12.746 -2.870 -16.419 1.00 0.00 N ATOM 1430 CA GLY A 80 13.939 -2.063 -16.149 1.00 0.00 C ATOM 1431 C GLY A 80 14.426 -1.242 -17.345 1.00 0.00 C ATOM 1432 O GLY A 80 15.556 -0.724 -17.317 1.00 0.00 O ATOM 0 H GLY A 80 11.916 -2.552 -15.919 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.726 -1.387 -15.321 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.744 -2.722 -15.824 1.00 0.00 H new ATOM 1436 N ASP A 81 13.586 -1.118 -18.401 1.00 0.00 N ATOM 1437 CA ASP A 81 13.940 -0.334 -19.601 1.00 0.00 C ATOM 1438 C ASP A 81 13.825 1.176 -19.332 1.00 0.00 C ATOM 1439 O ASP A 81 13.108 1.581 -18.427 1.00 0.00 O ATOM 1440 CB ASP A 81 13.041 -0.688 -20.819 1.00 0.00 C ATOM 1441 CG ASP A 81 13.647 -0.149 -22.131 1.00 0.00 C ATOM 1442 OD1 ASP A 81 14.650 -0.723 -22.589 1.00 0.00 O ATOM 1443 OD2 ASP A 81 13.164 0.866 -22.678 1.00 0.00 O ATOM 0 H ASP A 81 12.663 -1.550 -18.443 1.00 0.00 H new ATOM 0 HA ASP A 81 14.972 -0.592 -19.837 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.924 -1.770 -20.886 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.046 -0.268 -20.675 1.00 0.00 H new ATOM 1448 N ALA A 82 14.543 1.992 -20.124 1.00 0.00 N ATOM 1449 CA ALA A 82 14.408 3.453 -20.114 1.00 0.00 C ATOM 1450 C ALA A 82 13.872 3.926 -21.485 1.00 0.00 C ATOM 1451 O ALA A 82 14.651 4.130 -22.430 1.00 0.00 O ATOM 1452 CB ALA A 82 15.755 4.109 -19.774 1.00 0.00 C ATOM 0 H ALA A 82 15.236 1.651 -20.791 1.00 0.00 H new ATOM 0 HA ALA A 82 13.696 3.754 -19.345 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.641 5.193 -19.770 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.084 3.775 -18.790 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.497 3.825 -20.521 1.00 0.00 H new ATOM 1458 N VAL A 83 12.547 4.091 -21.595 1.00 0.00 N ATOM 1459 CA VAL A 83 11.879 4.493 -22.847 1.00 0.00 C ATOM 1460 C VAL A 83 11.908 6.026 -22.944 1.00 0.00 C ATOM 1461 O VAL A 83 11.173 6.711 -22.227 1.00 0.00 O ATOM 1462 CB VAL A 83 10.382 3.999 -22.893 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.687 4.348 -24.233 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.259 2.495 -22.578 1.00 0.00 C ATOM 0 H VAL A 83 11.903 3.950 -20.817 1.00 0.00 H new ATOM 0 HA VAL A 83 12.407 4.037 -23.684 1.00 0.00 H new ATOM 0 HB VAL A 83 9.858 4.543 -22.107 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.659 3.987 -24.214 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.689 5.429 -24.373 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.223 3.874 -25.055 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.211 2.199 -22.621 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.828 1.922 -23.310 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.651 2.299 -21.580 1.00 0.00 H new ATOM 1474 N SER A 84 12.754 6.552 -23.823 1.00 0.00 N ATOM 1475 CA SER A 84 12.933 8.000 -24.007 1.00 0.00 C ATOM 1476 C SER A 84 12.009 8.498 -25.128 1.00 0.00 C ATOM 1477 O SER A 84 11.742 7.753 -26.058 1.00 0.00 O ATOM 1478 CB SER A 84 14.412 8.280 -24.328 1.00 0.00 C ATOM 1479 OG SER A 84 15.256 7.828 -23.281 1.00 0.00 O ATOM 0 H SER A 84 13.342 5.987 -24.436 1.00 0.00 H new ATOM 0 HA SER A 84 12.667 8.536 -23.096 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.685 7.784 -25.259 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.558 9.349 -24.481 1.00 0.00 H new ATOM 0 HG SER A 84 16.190 8.016 -23.510 1.00 0.00 H new ATOM 1485 N VAL A 85 11.488 9.735 -25.034 1.00 0.00 N ATOM 1486 CA VAL A 85 10.577 10.304 -26.054 1.00 0.00 C ATOM 1487 C VAL A 85 10.895 11.795 -26.279 1.00 0.00 C ATOM 1488 O VAL A 85 11.231 12.534 -25.349 1.00 0.00 O ATOM 1489 CB VAL A 85 9.034 10.140 -25.713 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.626 8.661 -25.470 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.617 11.024 -24.529 1.00 0.00 C ATOM 0 H VAL A 85 11.682 10.367 -24.257 1.00 0.00 H new ATOM 0 HA VAL A 85 10.757 9.728 -26.962 1.00 0.00 H new ATOM 0 HB VAL A 85 8.493 10.478 -26.596 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.561 8.610 -25.241 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.833 8.075 -26.365 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.197 8.259 -24.633 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.555 10.884 -24.327 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.194 10.747 -23.647 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.805 12.070 -24.772 1.00 0.00 H new ATOM 1501 N PHE A 86 10.801 12.194 -27.537 1.00 0.00 N ATOM 1502 CA PHE A 86 10.932 13.572 -28.004 1.00 0.00 C ATOM 1503 C PHE A 86 9.683 13.828 -28.876 1.00 0.00 C ATOM 1504 O PHE A 86 9.303 12.949 -29.661 1.00 0.00 O ATOM 1505 CB PHE A 86 12.217 13.783 -28.870 1.00 0.00 C ATOM 1506 CG PHE A 86 13.547 13.465 -28.179 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.901 12.151 -27.891 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.452 14.472 -27.825 1.00 0.00 C ATOM 1509 CE1 PHE A 86 15.100 11.846 -27.284 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.661 14.161 -27.220 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.978 12.843 -26.948 1.00 0.00 C ATOM 0 H PHE A 86 10.623 11.539 -28.298 1.00 0.00 H new ATOM 0 HA PHE A 86 11.013 14.253 -27.157 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.136 13.163 -29.763 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.241 14.821 -29.203 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.221 11.352 -28.149 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.206 15.504 -28.025 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.349 10.817 -27.072 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.354 14.948 -26.962 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.916 12.600 -26.471 1.00 0.00 H new ATOM 1521 N PRO A 87 9.015 15.006 -28.744 1.00 0.00 N ATOM 1522 CA PRO A 87 7.838 15.395 -29.565 1.00 0.00 C ATOM 1523 C PRO A 87 8.170 15.517 -31.063 1.00 0.00 C ATOM 1524 O PRO A 87 9.357 15.462 -31.437 1.00 0.00 O ATOM 1525 CB PRO A 87 7.420 16.764 -28.956 1.00 0.00 C ATOM 1526 CG PRO A 87 8.674 17.275 -28.364 1.00 0.00 C ATOM 1527 CD PRO A 87 9.341 16.062 -27.779 1.00 0.00 C ATOM 0 HA PRO A 87 7.046 14.647 -29.533 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.031 17.440 -29.717 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.639 16.647 -28.204 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.304 17.749 -29.117 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.474 18.025 -27.599 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.418 16.201 -27.682 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.959 15.832 -26.785 1.00 0.00 H new ATOM 1535 N PRO A 88 7.128 15.652 -31.959 1.00 0.00 N ATOM 1536 CA PRO A 88 7.386 15.856 -33.387 1.00 0.00 C ATOM 1537 C PRO A 88 8.170 17.173 -33.572 1.00 0.00 C ATOM 1538 O PRO A 88 7.743 18.224 -33.076 1.00 0.00 O ATOM 1539 CB PRO A 88 5.964 15.883 -34.033 1.00 0.00 C ATOM 1540 CG PRO A 88 5.009 15.406 -32.971 1.00 0.00 C ATOM 1541 CD PRO A 88 5.678 15.663 -31.644 1.00 0.00 C ATOM 0 HA PRO A 88 7.997 15.083 -33.853 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.706 16.889 -34.364 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.923 15.238 -34.911 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.060 15.938 -33.036 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.789 14.346 -33.095 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.370 16.619 -31.221 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.423 14.895 -30.914 1.00 0.00 H new