USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS :FLIP no HD1:sc= -1.93 F(o=-4!,f=-2.8) USER MOD Set 1.2: A 57 TYR OH : rot 30:sc= -0.886 USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 1.06 USER MOD Set 2.2: A 15 SER OG : rot -58:sc= 1.08 USER MOD Set 3.1: A 12 MET CE :methyl -145:sc= -1.91 (180deg=-3.74!) USER MOD Set 3.2: A 20 GLN : amide:sc=-0.00494 X(o=-1.9,f=-1.9) USER MOD Single : A 25 GLN : amide:sc= -0.465 X(o=-0.47,f=-0.47) USER MOD Single : A 30 ASN : amide:sc= 0.00348 X(o=0.0035,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.384 K(o=-0.38,f=-0.94) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0063) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -126:sc= 0.459 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0173) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -0.341 0.353 -7.493 1.00 0.00 N ATOM 130 CA PRO A 11 -0.376 1.321 -6.393 1.00 0.00 C ATOM 131 C PRO A 11 -0.709 2.731 -6.871 1.00 0.00 C ATOM 132 O PRO A 11 -1.028 2.940 -8.041 1.00 0.00 O ATOM 133 CB PRO A 11 1.047 1.270 -5.831 1.00 0.00 C ATOM 134 CG PRO A 11 1.889 0.811 -6.971 1.00 0.00 C ATOM 135 CD PRO A 11 1.024 -0.120 -7.775 1.00 0.00 C ATOM 0 HA PRO A 11 -1.147 1.079 -5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.366 2.249 -5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.115 0.583 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.221 1.655 -7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.785 0.302 -6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.256 -0.066 -8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.160 -1.158 -7.471 1.00 0.00 H new ATOM 143 N MET A 12 -0.631 3.694 -5.958 1.00 0.00 N ATOM 144 CA MET A 12 -0.923 5.084 -6.289 1.00 0.00 C ATOM 145 C MET A 12 0.363 5.862 -6.551 1.00 0.00 C ATOM 146 O MET A 12 1.302 5.812 -5.757 1.00 0.00 O ATOM 147 CB MET A 12 -1.711 5.745 -5.156 1.00 0.00 C ATOM 148 CG MET A 12 -3.218 5.609 -5.304 1.00 0.00 C ATOM 149 SD MET A 12 -4.113 6.182 -3.848 1.00 0.00 S ATOM 150 CE MET A 12 -3.770 7.939 -3.910 1.00 0.00 C ATOM 0 H MET A 12 -0.368 3.538 -4.985 1.00 0.00 H new ATOM 0 HA MET A 12 -1.526 5.097 -7.197 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.406 5.304 -4.207 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.452 6.803 -5.114 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.546 6.177 -6.174 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.468 4.565 -5.492 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.675 8.327 -2.896 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.840 8.109 -4.453 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.586 8.451 -4.419 1.00 0.00 H new ATOM 160 N SER A 13 0.397 6.579 -7.669 1.00 0.00 N ATOM 161 CA SER A 13 1.569 7.365 -8.038 1.00 0.00 C ATOM 162 C SER A 13 1.489 8.770 -7.448 1.00 0.00 C ATOM 163 O SER A 13 0.404 9.274 -7.164 1.00 0.00 O ATOM 164 CB SER A 13 1.698 7.444 -9.560 1.00 0.00 C ATOM 165 OG SER A 13 0.762 8.359 -10.104 1.00 0.00 O ATOM 0 H SER A 13 -0.373 6.632 -8.335 1.00 0.00 H new ATOM 0 HA SER A 13 2.451 6.870 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.709 7.751 -9.827 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.540 6.456 -9.993 1.00 0.00 H new ATOM 0 HG SER A 13 0.866 8.393 -11.078 1.00 0.00 H new ATOM 171 N ALA A 14 2.648 9.395 -7.268 1.00 0.00 N ATOM 172 CA ALA A 14 2.710 10.742 -6.714 1.00 0.00 C ATOM 173 C ALA A 14 1.596 11.619 -7.276 1.00 0.00 C ATOM 174 O ALA A 14 1.133 12.550 -6.617 1.00 0.00 O ATOM 175 CB ALA A 14 4.069 11.366 -6.996 1.00 0.00 C ATOM 0 H ALA A 14 3.556 8.991 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 14 2.571 10.671 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.102 12.372 -6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.850 10.758 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.230 11.416 -8.073 1.00 0.00 H new ATOM 181 N SER A 15 1.171 11.316 -8.499 1.00 0.00 N ATOM 182 CA SER A 15 0.114 12.080 -9.152 1.00 0.00 C ATOM 183 C SER A 15 -1.163 12.062 -8.318 1.00 0.00 C ATOM 184 O SER A 15 -1.801 13.095 -8.118 1.00 0.00 O ATOM 185 CB SER A 15 -0.165 11.515 -10.546 1.00 0.00 C ATOM 186 OG SER A 15 -0.834 10.269 -10.467 1.00 0.00 O ATOM 0 H SER A 15 1.542 10.547 -9.057 1.00 0.00 H new ATOM 0 HA SER A 15 0.450 13.112 -9.247 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.771 12.221 -11.113 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.773 11.394 -11.087 1.00 0.00 H new ATOM 0 HG SER A 15 -0.290 9.637 -9.952 1.00 0.00 H new ATOM 192 N ALA A 16 -1.530 10.880 -7.834 1.00 0.00 N ATOM 193 CA ALA A 16 -2.729 10.726 -7.020 1.00 0.00 C ATOM 194 C ALA A 16 -2.531 11.323 -5.631 1.00 0.00 C ATOM 195 O ALA A 16 -3.321 12.154 -5.182 1.00 0.00 O ATOM 196 CB ALA A 16 -3.112 9.257 -6.916 1.00 0.00 C ATOM 0 H ALA A 16 -1.014 10.015 -7.992 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.540 11.268 -7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.009 9.157 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.305 8.860 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.296 8.700 -6.456 1.00 0.00 H new ATOM 202 N LEU A 17 -1.471 10.895 -4.955 1.00 0.00 N ATOM 203 CA LEU A 17 -1.168 11.387 -3.615 1.00 0.00 C ATOM 204 C LEU A 17 -1.386 12.894 -3.526 1.00 0.00 C ATOM 205 O LEU A 17 -2.146 13.373 -2.685 1.00 0.00 O ATOM 206 CB LEU A 17 0.275 11.045 -3.239 1.00 0.00 C ATOM 207 CG LEU A 17 0.533 9.600 -2.812 1.00 0.00 C ATOM 208 CD1 LEU A 17 -0.483 9.161 -1.770 1.00 0.00 C ATOM 209 CD2 LEU A 17 0.497 8.673 -4.018 1.00 0.00 C ATOM 0 H LEU A 17 -0.807 10.208 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.845 10.899 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.915 11.270 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.583 11.703 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 17 1.526 9.546 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.283 8.130 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.409 9.806 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.487 9.232 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.683 7.649 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.482 8.732 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.265 8.974 -4.731 1.00 0.00 H new ATOM 221 N PHE A 18 -0.715 13.636 -4.401 1.00 0.00 N ATOM 222 CA PHE A 18 -0.836 15.089 -4.423 1.00 0.00 C ATOM 223 C PHE A 18 -2.302 15.512 -4.463 1.00 0.00 C ATOM 224 O PHE A 18 -2.716 16.425 -3.749 1.00 0.00 O ATOM 225 CB PHE A 18 -0.094 15.666 -5.630 1.00 0.00 C ATOM 226 CG PHE A 18 -0.187 17.162 -5.732 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.286 17.762 -6.325 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.825 17.967 -5.235 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.374 19.138 -6.420 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.742 19.344 -5.327 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.359 19.930 -5.922 1.00 0.00 C ATOM 0 H PHE A 18 -0.082 13.255 -5.104 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.388 15.480 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.956 15.378 -5.573 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.497 15.222 -6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.083 17.148 -6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.688 17.514 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.237 19.593 -6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.537 19.961 -4.934 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.425 21.005 -5.997 1.00 0.00 H new ATOM 241 N VAL A 19 -3.082 14.842 -5.305 1.00 0.00 N ATOM 242 CA VAL A 19 -4.502 15.147 -5.440 1.00 0.00 C ATOM 243 C VAL A 19 -5.269 14.759 -4.181 1.00 0.00 C ATOM 244 O VAL A 19 -5.822 15.615 -3.491 1.00 0.00 O ATOM 245 CB VAL A 19 -5.120 14.420 -6.649 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.583 14.802 -6.810 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.336 14.732 -7.915 1.00 0.00 C ATOM 0 H VAL A 19 -2.755 14.084 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.581 16.223 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.067 13.346 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.003 14.279 -7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.133 14.523 -5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.663 15.878 -6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.786 14.210 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.356 15.806 -8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.304 14.403 -7.794 1.00 0.00 H new ATOM 257 N GLN A 20 -5.297 13.463 -3.887 1.00 0.00 N ATOM 258 CA GLN A 20 -5.997 12.961 -2.711 1.00 0.00 C ATOM 259 C GLN A 20 -5.590 13.738 -1.463 1.00 0.00 C ATOM 260 O GLN A 20 -6.293 13.721 -0.452 1.00 0.00 O ATOM 261 CB GLN A 20 -5.707 11.472 -2.515 1.00 0.00 C ATOM 262 CG GLN A 20 -6.826 10.722 -1.810 1.00 0.00 C ATOM 263 CD GLN A 20 -6.330 9.494 -1.072 1.00 0.00 C ATOM 264 OE1 GLN A 20 -6.092 9.534 0.135 1.00 0.00 O ATOM 265 NE2 GLN A 20 -6.173 8.392 -1.797 1.00 0.00 N ATOM 0 H GLN A 20 -4.843 12.742 -4.447 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.067 13.098 -2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.530 11.014 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.788 11.362 -1.939 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.319 11.391 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.576 10.423 -2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.382 8.404 -2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.843 7.534 -1.355 1.00 0.00 H new ATOM 274 N ASP A 21 -4.451 14.418 -1.541 1.00 0.00 N ATOM 275 CA ASP A 21 -3.951 15.203 -0.418 1.00 0.00 C ATOM 276 C ASP A 21 -4.609 16.578 -0.380 1.00 0.00 C ATOM 277 O ASP A 21 -5.018 17.053 0.680 1.00 0.00 O ATOM 278 CB ASP A 21 -2.431 15.353 -0.510 1.00 0.00 C ATOM 279 CG ASP A 21 -1.702 14.065 -0.183 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.364 13.008 -0.115 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.468 14.113 0.003 1.00 0.00 O ATOM 0 H ASP A 21 -3.857 14.441 -2.370 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.201 14.675 0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.161 15.675 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.104 16.136 0.174 1.00 0.00 H new ATOM 286 N HIS A 22 -4.707 17.215 -1.543 1.00 0.00 N ATOM 287 CA HIS A 22 -5.315 18.537 -1.642 1.00 0.00 C ATOM 288 C HIS A 22 -6.730 18.443 -2.205 1.00 0.00 C ATOM 289 O HIS A 22 -7.316 19.448 -2.608 1.00 0.00 O ATOM 290 CB HIS A 22 -4.462 19.448 -2.525 1.00 0.00 C ATOM 291 CG HIS A 22 -2.989 19.282 -2.310 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.304 18.584 -1.375 1.00 0.00 N flip ATOM 293 CD2 HIS A 22 -2.039 19.878 -3.114 1.00 0.00 C flip ATOM 294 CE1 HIS A 22 -0.966 18.768 -1.628 1.00 0.00 C flip ATOM 295 NE2 HIS A 22 -0.834 19.552 -2.683 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.373 16.837 -2.430 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.369 18.962 -0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.693 19.247 -3.571 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.734 20.486 -2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.248 20.512 -3.963 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.154 18.341 -1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.049 19.854 -3.095 1.00 0.00 H new ATOM 304 N ARG A 23 -7.272 17.230 -2.231 1.00 0.00 N ATOM 305 CA ARG A 23 -8.617 17.005 -2.747 1.00 0.00 C ATOM 306 C ARG A 23 -9.662 17.644 -1.837 1.00 0.00 C ATOM 307 O ARG A 23 -10.449 18.493 -2.255 1.00 0.00 O ATOM 308 CB ARG A 23 -8.891 15.505 -2.881 1.00 0.00 C ATOM 309 CG ARG A 23 -10.348 15.131 -2.669 1.00 0.00 C ATOM 310 CD ARG A 23 -10.676 13.787 -3.301 1.00 0.00 C ATOM 311 NE ARG A 23 -10.308 12.671 -2.435 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.310 11.402 -2.830 1.00 0.00 C ATOM 313 NH1 ARG A 23 -10.660 11.092 -4.071 1.00 0.00 N ATOM 314 NH2 ARG A 23 -9.962 10.442 -1.984 1.00 0.00 N ATOM 0 H ARG A 23 -6.801 16.388 -1.901 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.684 17.469 -3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.580 15.175 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.278 14.966 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.564 15.094 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.989 15.902 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.743 13.740 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.152 13.696 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.034 12.876 -1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.928 11.828 -4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.661 10.118 -4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.692 10.677 -1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.964 9.469 -2.288 1.00 0.00 H new ATOM 328 N PRO A 24 -9.671 17.227 -0.562 1.00 0.00 N ATOM 329 CA PRO A 24 -10.614 17.746 0.434 1.00 0.00 C ATOM 330 C PRO A 24 -10.324 19.196 0.807 1.00 0.00 C ATOM 331 O PRO A 24 -11.242 19.982 1.039 1.00 0.00 O ATOM 332 CB PRO A 24 -10.395 16.830 1.640 1.00 0.00 C ATOM 333 CG PRO A 24 -9.001 16.327 1.487 1.00 0.00 C ATOM 334 CD PRO A 24 -8.761 16.219 0.006 1.00 0.00 C ATOM 0 HA PRO A 24 -11.639 17.748 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.519 17.373 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.113 16.010 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.287 17.008 1.950 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.879 15.359 1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.722 16.427 -0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.986 15.219 -0.366 1.00 0.00 H new ATOM 342 N GLN A 25 -9.042 19.543 0.861 1.00 0.00 N ATOM 343 CA GLN A 25 -8.632 20.899 1.206 1.00 0.00 C ATOM 344 C GLN A 25 -9.160 21.903 0.187 1.00 0.00 C ATOM 345 O GLN A 25 -9.693 22.951 0.551 1.00 0.00 O ATOM 346 CB GLN A 25 -7.107 20.989 1.286 1.00 0.00 C ATOM 347 CG GLN A 25 -6.527 20.374 2.550 1.00 0.00 C ATOM 348 CD GLN A 25 -7.228 20.851 3.806 1.00 0.00 C ATOM 349 OE1 GLN A 25 -8.016 20.119 4.407 1.00 0.00 O ATOM 350 NE2 GLN A 25 -6.946 22.084 4.211 1.00 0.00 N ATOM 0 H GLN A 25 -8.270 18.904 0.670 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.054 21.142 2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.676 20.490 0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.810 22.036 1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.600 19.288 2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.467 20.619 2.615 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.287 22.656 3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.388 22.459 5.050 1.00 0.00 H new ATOM 359 N PHE A 26 -9.007 21.576 -1.092 1.00 0.00 N ATOM 360 CA PHE A 26 -9.467 22.450 -2.165 1.00 0.00 C ATOM 361 C PHE A 26 -10.960 22.734 -2.033 1.00 0.00 C ATOM 362 O PHE A 26 -11.412 23.859 -2.253 1.00 0.00 O ATOM 363 CB PHE A 26 -9.175 21.818 -3.527 1.00 0.00 C ATOM 364 CG PHE A 26 -9.259 22.789 -4.670 1.00 0.00 C ATOM 365 CD1 PHE A 26 -10.487 23.147 -5.203 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.111 23.345 -5.210 1.00 0.00 C ATOM 367 CE1 PHE A 26 -10.568 24.040 -6.255 1.00 0.00 C ATOM 368 CE2 PHE A 26 -8.185 24.239 -6.262 1.00 0.00 C ATOM 369 CZ PHE A 26 -9.416 24.588 -6.784 1.00 0.00 C ATOM 0 H PHE A 26 -8.568 20.712 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.927 23.394 -2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.178 21.377 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.880 21.005 -3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.391 22.723 -4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.147 23.077 -4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.531 24.309 -6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.282 24.664 -6.675 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.477 25.288 -7.604 1.00 0.00 H new ATOM 379 N LEU A 27 -11.721 21.707 -1.672 1.00 0.00 N ATOM 380 CA LEU A 27 -13.165 21.845 -1.510 1.00 0.00 C ATOM 381 C LEU A 27 -13.499 22.623 -0.242 1.00 0.00 C ATOM 382 O LEU A 27 -14.065 23.715 -0.304 1.00 0.00 O ATOM 383 CB LEU A 27 -13.826 20.466 -1.465 1.00 0.00 C ATOM 384 CG LEU A 27 -13.885 19.706 -2.791 1.00 0.00 C ATOM 385 CD1 LEU A 27 -13.923 18.206 -2.544 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.093 20.146 -3.605 1.00 0.00 C ATOM 0 H LEU A 27 -11.363 20.770 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.551 22.399 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.290 19.852 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.843 20.585 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.985 19.937 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.965 17.681 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.027 17.904 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.805 17.957 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.119 19.595 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.004 19.945 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.023 21.214 -3.812 1.00 0.00 H new ATOM 398 N ILE A 28 -13.144 22.056 0.905 1.00 0.00 N ATOM 399 CA ILE A 28 -13.403 22.699 2.187 1.00 0.00 C ATOM 400 C ILE A 28 -13.192 24.206 2.099 1.00 0.00 C ATOM 401 O ILE A 28 -14.123 24.986 2.295 1.00 0.00 O ATOM 402 CB ILE A 28 -12.499 22.129 3.296 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.799 20.644 3.516 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.689 22.910 4.588 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.722 19.919 4.292 1.00 0.00 C ATOM 0 H ILE A 28 -12.676 21.152 0.973 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.444 22.495 2.437 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.459 22.228 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.746 20.548 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.926 20.160 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.043 22.495 5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.431 23.956 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.729 22.839 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.001 18.872 4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.778 19.984 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.610 20.378 5.274 1.00 0.00 H new ATOM 417 N GLU A 29 -11.960 24.609 1.802 1.00 0.00 N ATOM 418 CA GLU A 29 -11.627 26.024 1.687 1.00 0.00 C ATOM 419 C GLU A 29 -12.519 26.711 0.657 1.00 0.00 C ATOM 420 O GLU A 29 -12.992 27.825 0.875 1.00 0.00 O ATOM 421 CB GLU A 29 -10.157 26.194 1.298 1.00 0.00 C ATOM 422 CG GLU A 29 -9.191 25.929 2.440 1.00 0.00 C ATOM 423 CD GLU A 29 -7.741 26.092 2.028 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.440 25.910 0.830 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.907 26.402 2.904 1.00 0.00 O ATOM 0 H GLU A 29 -11.177 23.976 1.637 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.796 26.491 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.927 25.518 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.002 27.208 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.410 26.611 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.347 24.917 2.815 1.00 0.00 H new ATOM 432 N ASN A 30 -12.744 26.037 -0.466 1.00 0.00 N ATOM 433 CA ASN A 30 -13.578 26.582 -1.531 1.00 0.00 C ATOM 434 C ASN A 30 -14.884 25.803 -1.652 1.00 0.00 C ATOM 435 O ASN A 30 -15.038 24.929 -2.506 1.00 0.00 O ATOM 436 CB ASN A 30 -12.827 26.551 -2.863 1.00 0.00 C ATOM 437 CG ASN A 30 -11.470 27.223 -2.778 1.00 0.00 C ATOM 438 OD1 ASN A 30 -11.353 28.352 -2.302 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.437 26.529 -3.240 1.00 0.00 N ATOM 0 H ASN A 30 -12.360 25.112 -0.662 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.814 27.616 -1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.698 25.516 -3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.427 27.046 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.499 26.929 -3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.581 25.596 -3.626 1.00 0.00 H new ATOM 446 N PRO A 31 -15.849 26.126 -0.778 1.00 0.00 N ATOM 447 CA PRO A 31 -17.160 25.468 -0.767 1.00 0.00 C ATOM 448 C PRO A 31 -18.002 25.836 -1.984 1.00 0.00 C ATOM 449 O PRO A 31 -19.152 25.412 -2.107 1.00 0.00 O ATOM 450 CB PRO A 31 -17.811 25.996 0.513 1.00 0.00 C ATOM 451 CG PRO A 31 -17.147 27.306 0.764 1.00 0.00 C ATOM 452 CD PRO A 31 -15.736 27.157 0.266 1.00 0.00 C ATOM 0 HA PRO A 31 -17.072 24.382 -0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.887 26.115 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.660 25.310 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.662 28.111 0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.162 27.554 1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -15.351 28.094 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.059 26.849 1.063 1.00 0.00 H new ATOM 460 N LYS A 32 -17.424 26.628 -2.881 1.00 0.00 N ATOM 461 CA LYS A 32 -18.121 27.051 -4.090 1.00 0.00 C ATOM 462 C LYS A 32 -17.636 26.264 -5.302 1.00 0.00 C ATOM 463 O LYS A 32 -17.823 26.684 -6.445 1.00 0.00 O ATOM 464 CB LYS A 32 -17.913 28.549 -4.324 1.00 0.00 C ATOM 465 CG LYS A 32 -19.032 29.202 -5.117 1.00 0.00 C ATOM 466 CD LYS A 32 -18.604 30.546 -5.683 1.00 0.00 C ATOM 467 CE LYS A 32 -19.491 30.971 -6.842 1.00 0.00 C ATOM 468 NZ LYS A 32 -20.879 31.277 -6.396 1.00 0.00 N ATOM 0 H LYS A 32 -16.474 26.990 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.184 26.854 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.822 29.050 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -16.971 28.698 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -19.335 28.543 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.903 29.337 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -18.643 31.301 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -17.569 30.488 -6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.062 31.850 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.516 30.178 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.452 31.563 -7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -21.298 30.431 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.858 32.051 -5.702 1.00 0.00 H new ATOM 482 N THR A 33 -17.011 25.118 -5.047 1.00 0.00 N ATOM 483 CA THR A 33 -16.499 24.272 -6.117 1.00 0.00 C ATOM 484 C THR A 33 -17.131 22.885 -6.071 1.00 0.00 C ATOM 485 O THR A 33 -17.452 22.374 -4.998 1.00 0.00 O ATOM 486 CB THR A 33 -14.968 24.129 -6.037 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.369 25.406 -5.790 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.411 23.543 -7.325 1.00 0.00 C ATOM 0 H THR A 33 -16.848 24.755 -4.108 1.00 0.00 H new ATOM 0 HA THR A 33 -16.762 24.757 -7.057 1.00 0.00 H new ATOM 0 HB THR A 33 -14.731 23.452 -5.216 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.395 25.306 -5.739 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.328 23.452 -7.245 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.847 22.558 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.659 24.198 -8.160 1.00 0.00 H new ATOM 496 N SER A 34 -17.305 22.280 -7.242 1.00 0.00 N ATOM 497 CA SER A 34 -17.901 20.952 -7.335 1.00 0.00 C ATOM 498 C SER A 34 -16.841 19.868 -7.163 1.00 0.00 C ATOM 499 O SER A 34 -15.642 20.149 -7.166 1.00 0.00 O ATOM 500 CB SER A 34 -18.609 20.781 -8.680 1.00 0.00 C ATOM 501 OG SER A 34 -19.508 21.849 -8.923 1.00 0.00 O ATOM 0 H SER A 34 -17.042 22.688 -8.139 1.00 0.00 H new ATOM 0 HA SER A 34 -18.632 20.851 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.870 20.734 -9.480 1.00 0.00 H new ATOM 0 HB3 SER A 34 -19.151 19.835 -8.691 1.00 0.00 H new ATOM 0 HG SER A 34 -19.946 21.717 -9.789 1.00 0.00 H new ATOM 507 N LEU A 35 -17.293 18.627 -7.013 1.00 0.00 N ATOM 508 CA LEU A 35 -16.385 17.499 -6.840 1.00 0.00 C ATOM 509 C LEU A 35 -15.323 17.481 -7.936 1.00 0.00 C ATOM 510 O LEU A 35 -14.144 17.710 -7.673 1.00 0.00 O ATOM 511 CB LEU A 35 -17.166 16.184 -6.849 1.00 0.00 C ATOM 512 CG LEU A 35 -16.332 14.906 -6.756 1.00 0.00 C ATOM 513 CD1 LEU A 35 -15.466 14.924 -5.506 1.00 0.00 C ATOM 514 CD2 LEU A 35 -17.232 13.679 -6.766 1.00 0.00 C ATOM 0 H LEU A 35 -18.282 18.377 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.885 17.611 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.869 16.197 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.757 16.142 -7.764 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.677 14.858 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.879 14.007 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.795 15.782 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.102 14.996 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.621 12.779 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.912 13.720 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -17.809 13.658 -7.691 1.00 0.00 H new ATOM 526 N GLU A 36 -15.753 17.208 -9.164 1.00 0.00 N ATOM 527 CA GLU A 36 -14.839 17.161 -10.299 1.00 0.00 C ATOM 528 C GLU A 36 -14.078 18.477 -10.439 1.00 0.00 C ATOM 529 O GLU A 36 -12.848 18.503 -10.384 1.00 0.00 O ATOM 530 CB GLU A 36 -15.607 16.864 -11.589 1.00 0.00 C ATOM 531 CG GLU A 36 -16.300 15.512 -11.587 1.00 0.00 C ATOM 532 CD GLU A 36 -17.411 15.425 -12.615 1.00 0.00 C ATOM 533 OE1 GLU A 36 -17.099 15.243 -13.811 1.00 0.00 O ATOM 534 OE2 GLU A 36 -18.592 15.538 -12.224 1.00 0.00 O ATOM 0 H GLU A 36 -16.727 17.016 -9.398 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.120 16.362 -10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.352 17.644 -11.746 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.917 16.908 -12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.566 14.731 -11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.711 15.320 -10.596 1.00 0.00 H new ATOM 541 N ASP A 37 -14.817 19.565 -10.620 1.00 0.00 N ATOM 542 CA ASP A 37 -14.213 20.884 -10.767 1.00 0.00 C ATOM 543 C ASP A 37 -12.992 21.027 -9.864 1.00 0.00 C ATOM 544 O ASP A 37 -11.923 21.441 -10.310 1.00 0.00 O ATOM 545 CB ASP A 37 -15.235 21.975 -10.442 1.00 0.00 C ATOM 546 CG ASP A 37 -14.851 23.320 -11.026 1.00 0.00 C ATOM 547 OD1 ASP A 37 -14.661 23.399 -12.258 1.00 0.00 O ATOM 548 OD2 ASP A 37 -14.742 24.294 -10.253 1.00 0.00 O ATOM 0 H ASP A 37 -15.836 19.560 -10.669 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.891 20.996 -11.802 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.211 21.680 -10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.333 22.066 -9.360 1.00 0.00 H new ATOM 553 N ALA A 38 -13.160 20.682 -8.592 1.00 0.00 N ATOM 554 CA ALA A 38 -12.072 20.770 -7.626 1.00 0.00 C ATOM 555 C ALA A 38 -10.830 20.044 -8.131 1.00 0.00 C ATOM 556 O ALA A 38 -9.734 20.605 -8.149 1.00 0.00 O ATOM 557 CB ALA A 38 -12.510 20.202 -6.284 1.00 0.00 C ATOM 0 H ALA A 38 -14.040 20.339 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.818 21.822 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.687 20.274 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.364 20.768 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.793 19.157 -6.406 1.00 0.00 H new ATOM 563 N THR A 39 -11.007 18.792 -8.540 1.00 0.00 N ATOM 564 CA THR A 39 -9.900 17.988 -9.043 1.00 0.00 C ATOM 565 C THR A 39 -9.337 18.574 -10.333 1.00 0.00 C ATOM 566 O THR A 39 -8.130 18.785 -10.456 1.00 0.00 O ATOM 567 CB THR A 39 -10.334 16.533 -9.300 1.00 0.00 C ATOM 568 OG1 THR A 39 -10.911 15.977 -8.114 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.150 15.685 -9.740 1.00 0.00 C ATOM 0 H THR A 39 -11.907 18.312 -8.533 1.00 0.00 H new ATOM 0 HA THR A 39 -9.127 17.998 -8.275 1.00 0.00 H new ATOM 0 HB THR A 39 -11.076 16.534 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.186 15.052 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.481 14.661 -9.916 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.731 16.094 -10.660 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.388 15.691 -8.960 1.00 0.00 H new ATOM 577 N LEU A 40 -10.218 18.836 -11.292 1.00 0.00 N ATOM 578 CA LEU A 40 -9.809 19.399 -12.574 1.00 0.00 C ATOM 579 C LEU A 40 -8.748 20.479 -12.381 1.00 0.00 C ATOM 580 O LEU A 40 -7.781 20.553 -13.137 1.00 0.00 O ATOM 581 CB LEU A 40 -11.018 19.982 -13.307 1.00 0.00 C ATOM 582 CG LEU A 40 -11.965 18.968 -13.951 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.292 19.625 -14.301 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.328 18.355 -15.189 1.00 0.00 C ATOM 0 H LEU A 40 -11.220 18.668 -11.206 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.380 18.597 -13.174 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.589 20.586 -12.602 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.657 20.656 -14.084 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.156 18.170 -13.233 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.953 18.889 -14.758 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.755 20.015 -13.395 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.120 20.442 -15.001 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.016 17.636 -15.634 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.107 19.141 -15.911 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.404 17.848 -14.910 1.00 0.00 H new ATOM 596 N GLN A 41 -8.938 21.311 -11.362 1.00 0.00 N ATOM 597 CA GLN A 41 -7.996 22.385 -11.068 1.00 0.00 C ATOM 598 C GLN A 41 -6.738 21.839 -10.401 1.00 0.00 C ATOM 599 O GLN A 41 -5.623 22.242 -10.734 1.00 0.00 O ATOM 600 CB GLN A 41 -8.651 23.434 -10.168 1.00 0.00 C ATOM 601 CG GLN A 41 -9.616 24.350 -10.904 1.00 0.00 C ATOM 602 CD GLN A 41 -10.490 25.154 -9.961 1.00 0.00 C ATOM 603 OE1 GLN A 41 -10.107 26.234 -9.511 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.673 24.631 -9.659 1.00 0.00 N ATOM 0 H GLN A 41 -9.735 21.262 -10.727 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.711 22.852 -12.011 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.185 22.928 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.873 24.039 -9.703 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.051 25.032 -11.540 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.249 23.753 -11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.950 23.733 -10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.305 25.128 -9.031 1.00 0.00 H new ATOM 613 N ILE A 42 -6.925 20.922 -9.458 1.00 0.00 N ATOM 614 CA ILE A 42 -5.805 20.321 -8.745 1.00 0.00 C ATOM 615 C ILE A 42 -4.832 19.654 -9.712 1.00 0.00 C ATOM 616 O ILE A 42 -3.616 19.777 -9.566 1.00 0.00 O ATOM 617 CB ILE A 42 -6.285 19.279 -7.718 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.149 19.947 -6.646 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.096 18.573 -7.084 1.00 0.00 C ATOM 620 CD1 ILE A 42 -8.134 19.006 -5.990 1.00 0.00 C ATOM 0 H ILE A 42 -7.841 20.579 -9.170 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.296 21.129 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.891 18.535 -8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.500 20.372 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.695 20.776 -7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.452 17.840 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.518 18.068 -7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.465 19.305 -6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.712 19.548 -5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.808 18.601 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.593 18.190 -5.510 1.00 0.00 H new ATOM 632 N GLU A 43 -5.376 18.951 -10.700 1.00 0.00 N ATOM 633 CA GLU A 43 -4.555 18.266 -11.691 1.00 0.00 C ATOM 634 C GLU A 43 -3.619 19.246 -12.393 1.00 0.00 C ATOM 635 O GLU A 43 -2.398 19.132 -12.293 1.00 0.00 O ATOM 636 CB GLU A 43 -5.441 17.563 -12.722 1.00 0.00 C ATOM 637 CG GLU A 43 -5.944 16.204 -12.266 1.00 0.00 C ATOM 638 CD GLU A 43 -7.101 15.698 -13.106 1.00 0.00 C ATOM 639 OE1 GLU A 43 -7.079 15.910 -14.336 1.00 0.00 O ATOM 640 OE2 GLU A 43 -8.028 15.089 -12.532 1.00 0.00 O ATOM 0 H GLU A 43 -6.381 18.841 -10.835 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.951 17.521 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.296 18.200 -12.949 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.880 17.441 -13.648 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.126 15.485 -12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.257 16.268 -11.224 1.00 0.00 H new ATOM 647 N GLU A 44 -4.201 20.207 -13.103 1.00 0.00 N ATOM 648 CA GLU A 44 -3.419 21.205 -13.823 1.00 0.00 C ATOM 649 C GLU A 44 -2.425 21.892 -12.891 1.00 0.00 C ATOM 650 O GLU A 44 -1.350 22.317 -13.316 1.00 0.00 O ATOM 651 CB GLU A 44 -4.342 22.246 -14.459 1.00 0.00 C ATOM 652 CG GLU A 44 -5.349 21.654 -15.431 1.00 0.00 C ATOM 653 CD GLU A 44 -4.698 21.115 -16.690 1.00 0.00 C ATOM 654 OE1 GLU A 44 -3.839 21.818 -17.262 1.00 0.00 O ATOM 655 OE2 GLU A 44 -5.048 19.989 -17.102 1.00 0.00 O ATOM 0 H GLU A 44 -5.211 20.316 -13.195 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.862 20.696 -14.609 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.878 22.774 -13.670 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.736 22.985 -14.982 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.896 20.851 -14.937 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.079 22.417 -15.702 1.00 0.00 H new ATOM 662 N LEU A 45 -2.792 21.998 -11.619 1.00 0.00 N ATOM 663 CA LEU A 45 -1.933 22.634 -10.625 1.00 0.00 C ATOM 664 C LEU A 45 -0.740 21.746 -10.288 1.00 0.00 C ATOM 665 O LEU A 45 0.287 22.225 -9.808 1.00 0.00 O ATOM 666 CB LEU A 45 -2.730 22.941 -9.356 1.00 0.00 C ATOM 667 CG LEU A 45 -1.932 22.965 -8.052 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.078 24.221 -7.971 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.865 22.875 -6.854 1.00 0.00 C ATOM 0 H LEU A 45 -3.678 21.652 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.559 23.567 -11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.214 23.910 -9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.522 22.199 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.270 22.099 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.517 24.220 -7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.383 24.243 -8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.720 25.101 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.280 22.893 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.552 23.721 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.433 21.946 -6.904 1.00 0.00 H new ATOM 681 N TRP A 46 -0.883 20.450 -10.544 1.00 0.00 N ATOM 682 CA TRP A 46 0.184 19.495 -10.270 1.00 0.00 C ATOM 683 C TRP A 46 1.134 19.383 -11.458 1.00 0.00 C ATOM 684 O TRP A 46 2.298 19.013 -11.303 1.00 0.00 O ATOM 685 CB TRP A 46 -0.404 18.122 -9.941 1.00 0.00 C ATOM 686 CG TRP A 46 0.563 16.996 -10.149 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.605 16.139 -11.212 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.624 16.604 -9.272 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.629 15.238 -11.048 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.270 15.502 -9.867 1.00 0.00 C ATOM 691 CE3 TRP A 46 2.094 17.078 -8.044 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.358 14.869 -9.273 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.173 16.448 -7.456 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.797 15.353 -8.070 1.00 0.00 C ATOM 0 H TRP A 46 -1.727 20.037 -10.941 1.00 0.00 H new ATOM 0 HA TRP A 46 0.748 19.857 -9.410 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.738 18.117 -8.904 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.285 17.954 -10.561 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.068 16.166 -12.057 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.873 14.493 -11.700 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.622 17.922 -7.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.839 14.025 -9.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.543 16.805 -6.506 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.640 14.883 -7.585 1.00 0.00 H new ATOM 705 N LYS A 47 0.630 19.706 -12.644 1.00 0.00 N ATOM 706 CA LYS A 47 1.434 19.643 -13.859 1.00 0.00 C ATOM 707 C LYS A 47 2.338 20.866 -13.978 1.00 0.00 C ATOM 708 O LYS A 47 3.431 20.792 -14.540 1.00 0.00 O ATOM 709 CB LYS A 47 0.529 19.544 -15.089 1.00 0.00 C ATOM 710 CG LYS A 47 0.196 18.116 -15.486 1.00 0.00 C ATOM 711 CD LYS A 47 -0.905 18.070 -16.532 1.00 0.00 C ATOM 712 CE LYS A 47 -2.282 18.006 -15.889 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.712 16.602 -15.637 1.00 0.00 N ATOM 0 H LYS A 47 -0.331 20.014 -12.790 1.00 0.00 H new ATOM 0 HA LYS A 47 2.061 18.753 -13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.398 20.083 -14.892 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.015 20.042 -15.928 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.089 17.628 -15.875 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.115 17.555 -14.604 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.840 18.952 -17.169 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.762 17.201 -17.175 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.269 18.556 -14.948 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.008 18.498 -16.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.675 16.599 -15.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.700 16.070 -16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.061 16.156 -14.959 1.00 0.00 H new ATOM 727 N THR A 48 1.875 21.992 -13.443 1.00 0.00 N ATOM 728 CA THR A 48 2.642 23.231 -13.489 1.00 0.00 C ATOM 729 C THR A 48 3.811 23.190 -12.511 1.00 0.00 C ATOM 730 O THR A 48 4.770 23.951 -12.643 1.00 0.00 O ATOM 731 CB THR A 48 1.758 24.450 -13.165 1.00 0.00 C ATOM 732 OG1 THR A 48 2.571 25.620 -13.021 1.00 0.00 O ATOM 733 CG2 THR A 48 0.963 24.219 -11.888 1.00 0.00 C ATOM 0 H THR A 48 0.973 22.071 -12.973 1.00 0.00 H new ATOM 0 HA THR A 48 3.025 23.329 -14.505 1.00 0.00 H new ATOM 0 HB THR A 48 1.059 24.593 -13.989 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.002 26.391 -12.817 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.346 25.093 -11.680 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.323 23.345 -12.011 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.649 24.053 -11.057 1.00 0.00 H new ATOM 741 N LEU A 49 3.725 22.298 -11.531 1.00 0.00 N ATOM 742 CA LEU A 49 4.777 22.157 -10.531 1.00 0.00 C ATOM 743 C LEU A 49 6.113 21.825 -11.188 1.00 0.00 C ATOM 744 O LEU A 49 6.160 21.409 -12.346 1.00 0.00 O ATOM 745 CB LEU A 49 4.408 21.068 -9.522 1.00 0.00 C ATOM 746 CG LEU A 49 3.430 21.478 -8.420 1.00 0.00 C ATOM 747 CD1 LEU A 49 3.051 20.276 -7.569 1.00 0.00 C ATOM 748 CD2 LEU A 49 4.031 22.577 -7.556 1.00 0.00 C ATOM 0 H LEU A 49 2.938 21.661 -11.407 1.00 0.00 H new ATOM 0 HA LEU A 49 4.876 23.109 -10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.979 20.227 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.324 20.710 -9.052 1.00 0.00 H new ATOM 0 HG LEU A 49 2.525 21.865 -8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.355 20.587 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.580 19.520 -8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.947 19.859 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.322 22.856 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.951 22.216 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.252 23.447 -8.175 1.00 0.00 H new ATOM 760 N SER A 50 7.197 22.011 -10.441 1.00 0.00 N ATOM 761 CA SER A 50 8.534 21.732 -10.952 1.00 0.00 C ATOM 762 C SER A 50 8.929 20.284 -10.679 1.00 0.00 C ATOM 763 O SER A 50 8.192 19.540 -10.034 1.00 0.00 O ATOM 764 CB SER A 50 9.553 22.679 -10.315 1.00 0.00 C ATOM 765 OG SER A 50 9.603 23.915 -11.007 1.00 0.00 O ATOM 0 H SER A 50 7.175 22.354 -9.480 1.00 0.00 H new ATOM 0 HA SER A 50 8.525 21.890 -12.030 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.290 22.853 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.539 22.215 -10.322 1.00 0.00 H new ATOM 0 HG SER A 50 10.260 24.503 -10.579 1.00 0.00 H new ATOM 771 N GLU A 51 10.098 19.893 -11.176 1.00 0.00 N ATOM 772 CA GLU A 51 10.591 18.533 -10.988 1.00 0.00 C ATOM 773 C GLU A 51 10.836 18.244 -9.510 1.00 0.00 C ATOM 774 O GLU A 51 10.168 17.400 -8.913 1.00 0.00 O ATOM 775 CB GLU A 51 11.882 18.321 -11.781 1.00 0.00 C ATOM 776 CG GLU A 51 12.082 16.888 -12.245 1.00 0.00 C ATOM 777 CD GLU A 51 13.419 16.677 -12.929 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.457 17.011 -12.321 1.00 0.00 O ATOM 779 OE2 GLU A 51 13.427 16.179 -14.074 1.00 0.00 O ATOM 0 H GLU A 51 10.721 20.498 -11.711 1.00 0.00 H new ATOM 0 HA GLU A 51 9.831 17.844 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.877 18.978 -12.651 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.730 18.616 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.007 16.219 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.280 16.617 -12.932 1.00 0.00 H new ATOM 786 N GLU A 52 11.799 18.950 -8.926 1.00 0.00 N ATOM 787 CA GLU A 52 12.133 18.768 -7.518 1.00 0.00 C ATOM 788 C GLU A 52 10.872 18.586 -6.679 1.00 0.00 C ATOM 789 O GLU A 52 10.735 17.604 -5.950 1.00 0.00 O ATOM 790 CB GLU A 52 12.935 19.965 -7.002 1.00 0.00 C ATOM 791 CG GLU A 52 12.208 21.291 -7.145 1.00 0.00 C ATOM 792 CD GLU A 52 13.134 22.483 -6.998 1.00 0.00 C ATOM 793 OE1 GLU A 52 14.009 22.665 -7.871 1.00 0.00 O ATOM 794 OE2 GLU A 52 12.985 23.233 -6.011 1.00 0.00 O ATOM 0 H GLU A 52 12.361 19.653 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 52 12.741 17.868 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.177 19.804 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.880 20.018 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.722 21.331 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.421 21.352 -6.394 1.00 0.00 H new ATOM 801 N GLU A 53 9.953 19.541 -6.787 1.00 0.00 N ATOM 802 CA GLU A 53 8.704 19.488 -6.037 1.00 0.00 C ATOM 803 C GLU A 53 8.053 18.113 -6.163 1.00 0.00 C ATOM 804 O GLU A 53 7.597 17.536 -5.175 1.00 0.00 O ATOM 805 CB GLU A 53 7.739 20.568 -6.532 1.00 0.00 C ATOM 806 CG GLU A 53 6.466 20.670 -5.709 1.00 0.00 C ATOM 807 CD GLU A 53 6.661 21.457 -4.428 1.00 0.00 C ATOM 808 OE1 GLU A 53 6.884 22.683 -4.512 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.590 20.847 -3.340 1.00 0.00 O ATOM 0 H GLU A 53 10.050 20.360 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 53 8.932 19.669 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.248 21.532 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.476 20.360 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.688 21.144 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.114 19.668 -5.465 1.00 0.00 H new ATOM 816 N LYS A 54 8.012 17.594 -7.385 1.00 0.00 N ATOM 817 CA LYS A 54 7.418 16.287 -7.642 1.00 0.00 C ATOM 818 C LYS A 54 8.260 15.175 -7.023 1.00 0.00 C ATOM 819 O LYS A 54 7.742 14.313 -6.313 1.00 0.00 O ATOM 820 CB LYS A 54 7.277 16.056 -9.148 1.00 0.00 C ATOM 821 CG LYS A 54 6.197 16.905 -9.795 1.00 0.00 C ATOM 822 CD LYS A 54 5.841 16.394 -11.181 1.00 0.00 C ATOM 823 CE LYS A 54 5.144 17.464 -12.008 1.00 0.00 C ATOM 824 NZ LYS A 54 6.112 18.442 -12.579 1.00 0.00 N ATOM 0 H LYS A 54 8.383 18.059 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 54 6.429 16.268 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.231 16.267 -9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.056 15.004 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.307 16.904 -9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.538 17.938 -9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.746 16.069 -11.694 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.194 15.522 -11.093 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.585 16.992 -12.816 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.420 17.990 -11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.828 19.407 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.063 18.246 -12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.121 18.357 -13.615 1.00 0.00 H new ATOM 838 N LEU A 55 9.560 15.202 -7.296 1.00 0.00 N ATOM 839 CA LEU A 55 10.474 14.197 -6.764 1.00 0.00 C ATOM 840 C LEU A 55 10.118 13.845 -5.323 1.00 0.00 C ATOM 841 O LEU A 55 10.138 12.677 -4.935 1.00 0.00 O ATOM 842 CB LEU A 55 11.916 14.702 -6.837 1.00 0.00 C ATOM 843 CG LEU A 55 12.674 14.385 -8.126 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.833 12.882 -8.296 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.959 14.987 -9.327 1.00 0.00 C ATOM 0 H LEU A 55 10.005 15.908 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 55 10.379 13.297 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.908 15.783 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.471 14.279 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 55 13.667 14.829 -8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.375 12.676 -9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.389 12.477 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.849 12.415 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.513 14.751 -10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.953 14.573 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.898 16.069 -9.209 1.00 0.00 H new ATOM 857 N LYS A 56 9.790 14.863 -4.535 1.00 0.00 N ATOM 858 CA LYS A 56 9.426 14.663 -3.137 1.00 0.00 C ATOM 859 C LYS A 56 8.206 13.755 -3.018 1.00 0.00 C ATOM 860 O LYS A 56 8.190 12.824 -2.211 1.00 0.00 O ATOM 861 CB LYS A 56 9.141 16.008 -2.465 1.00 0.00 C ATOM 862 CG LYS A 56 10.364 16.901 -2.348 1.00 0.00 C ATOM 863 CD LYS A 56 9.991 18.301 -1.893 1.00 0.00 C ATOM 864 CE LYS A 56 9.822 18.371 -0.383 1.00 0.00 C ATOM 865 NZ LYS A 56 11.130 18.509 0.316 1.00 0.00 N ATOM 0 H LYS A 56 9.769 15.836 -4.841 1.00 0.00 H new ATOM 0 HA LYS A 56 10.265 14.183 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.372 16.532 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.736 15.828 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.069 16.463 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.871 16.954 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.763 19.004 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.064 18.607 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.183 19.216 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.316 17.472 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.972 18.553 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.731 17.690 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.602 19.380 0.001 1.00 0.00 H new ATOM 879 N TYR A 57 7.189 14.029 -3.826 1.00 0.00 N ATOM 880 CA TYR A 57 5.965 13.237 -3.810 1.00 0.00 C ATOM 881 C TYR A 57 6.215 11.836 -4.359 1.00 0.00 C ATOM 882 O TYR A 57 5.659 10.856 -3.866 1.00 0.00 O ATOM 883 CB TYR A 57 4.873 13.930 -4.627 1.00 0.00 C ATOM 884 CG TYR A 57 4.021 14.880 -3.817 1.00 0.00 C ATOM 885 CD1 TYR A 57 4.386 16.212 -3.662 1.00 0.00 C ATOM 886 CD2 TYR A 57 2.851 14.446 -3.205 1.00 0.00 C ATOM 887 CE1 TYR A 57 3.611 17.083 -2.922 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.069 15.311 -2.465 1.00 0.00 C ATOM 889 CZ TYR A 57 2.453 16.629 -2.326 1.00 0.00 C ATOM 890 OH TYR A 57 1.678 17.493 -1.587 1.00 0.00 O ATOM 0 H TYR A 57 7.188 14.794 -4.501 1.00 0.00 H new ATOM 0 HA TYR A 57 5.634 13.148 -2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.337 14.480 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.231 13.172 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.291 16.572 -4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.548 13.415 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.910 18.115 -2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.162 14.958 -1.998 1.00 0.00 H new ATOM 0 HH TYR A 57 1.772 18.402 -1.942 1.00 0.00 H new ATOM 900 N GLU A 58 7.058 11.751 -5.384 1.00 0.00 N ATOM 901 CA GLU A 58 7.382 10.471 -6.001 1.00 0.00 C ATOM 902 C GLU A 58 7.915 9.486 -4.964 1.00 0.00 C ATOM 903 O GLU A 58 7.776 8.273 -5.116 1.00 0.00 O ATOM 904 CB GLU A 58 8.414 10.663 -7.115 1.00 0.00 C ATOM 905 CG GLU A 58 7.808 11.105 -8.436 1.00 0.00 C ATOM 906 CD GLU A 58 7.368 9.936 -9.296 1.00 0.00 C ATOM 907 OE1 GLU A 58 6.290 9.369 -9.019 1.00 0.00 O ATOM 908 OE2 GLU A 58 8.100 9.589 -10.246 1.00 0.00 O ATOM 0 H GLU A 58 7.528 12.553 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 58 6.467 10.062 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.148 11.403 -6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.951 9.727 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.951 11.750 -8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.537 11.701 -8.985 1.00 0.00 H new ATOM 915 N GLU A 59 8.526 10.019 -3.910 1.00 0.00 N ATOM 916 CA GLU A 59 9.081 9.187 -2.849 1.00 0.00 C ATOM 917 C GLU A 59 7.970 8.517 -2.046 1.00 0.00 C ATOM 918 O GLU A 59 8.174 7.465 -1.439 1.00 0.00 O ATOM 919 CB GLU A 59 9.961 10.026 -1.920 1.00 0.00 C ATOM 920 CG GLU A 59 11.264 10.476 -2.558 1.00 0.00 C ATOM 921 CD GLU A 59 11.978 9.350 -3.281 1.00 0.00 C ATOM 922 OE1 GLU A 59 11.978 8.216 -2.758 1.00 0.00 O ATOM 923 OE2 GLU A 59 12.537 9.602 -4.368 1.00 0.00 O ATOM 0 H GLU A 59 8.649 11.022 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 59 9.690 8.411 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.401 10.904 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.186 9.446 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.060 11.283 -3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.920 10.882 -1.788 1.00 0.00 H new ATOM 930 N LYS A 60 6.793 9.133 -2.047 1.00 0.00 N ATOM 931 CA LYS A 60 5.647 8.598 -1.320 1.00 0.00 C ATOM 932 C LYS A 60 5.064 7.387 -2.041 1.00 0.00 C ATOM 933 O LYS A 60 4.545 6.467 -1.409 1.00 0.00 O ATOM 934 CB LYS A 60 4.572 9.674 -1.157 1.00 0.00 C ATOM 935 CG LYS A 60 4.783 10.565 0.055 1.00 0.00 C ATOM 936 CD LYS A 60 4.161 11.937 -0.147 1.00 0.00 C ATOM 937 CE LYS A 60 2.643 11.877 -0.074 1.00 0.00 C ATOM 938 NZ LYS A 60 2.160 11.740 1.328 1.00 0.00 N ATOM 0 H LYS A 60 6.607 10.004 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 60 5.988 8.283 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.551 10.293 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.597 9.193 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.347 10.093 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.851 10.673 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.536 12.623 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.464 12.336 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.222 12.780 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.284 11.035 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.121 11.771 1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.485 10.833 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.537 12.520 1.903 1.00 0.00 H new ATOM 952 N ALA A 61 5.153 7.393 -3.367 1.00 0.00 N ATOM 953 CA ALA A 61 4.637 6.293 -4.172 1.00 0.00 C ATOM 954 C ALA A 61 5.623 5.131 -4.212 1.00 0.00 C ATOM 955 O ALA A 61 5.247 3.976 -4.015 1.00 0.00 O ATOM 956 CB ALA A 61 4.326 6.773 -5.583 1.00 0.00 C ATOM 0 H ALA A 61 5.578 8.147 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 61 3.717 5.937 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.941 5.942 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.578 7.565 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.235 7.157 -6.046 1.00 0.00 H new ATOM 962 N THR A 62 6.890 5.445 -4.469 1.00 0.00 N ATOM 963 CA THR A 62 7.930 4.427 -4.537 1.00 0.00 C ATOM 964 C THR A 62 7.962 3.587 -3.265 1.00 0.00 C ATOM 965 O THR A 62 8.242 2.389 -3.306 1.00 0.00 O ATOM 966 CB THR A 62 9.319 5.057 -4.757 1.00 0.00 C ATOM 967 OG1 THR A 62 10.319 4.033 -4.803 1.00 0.00 O ATOM 968 CG2 THR A 62 9.647 6.044 -3.647 1.00 0.00 C ATOM 0 H THR A 62 7.219 6.396 -4.633 1.00 0.00 H new ATOM 0 HA THR A 62 7.690 3.787 -5.386 1.00 0.00 H new ATOM 0 HB THR A 62 9.305 5.593 -5.706 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.199 4.441 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.632 6.476 -3.824 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.900 6.838 -3.633 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.644 5.527 -2.688 1.00 0.00 H new ATOM 976 N LYS A 63 7.671 4.223 -2.135 1.00 0.00 N ATOM 977 CA LYS A 63 7.664 3.534 -0.850 1.00 0.00 C ATOM 978 C LYS A 63 6.583 2.459 -0.815 1.00 0.00 C ATOM 979 O LYS A 63 6.704 1.467 -0.095 1.00 0.00 O ATOM 980 CB LYS A 63 7.440 4.535 0.287 1.00 0.00 C ATOM 981 CG LYS A 63 7.825 3.998 1.654 1.00 0.00 C ATOM 982 CD LYS A 63 7.352 4.917 2.768 1.00 0.00 C ATOM 983 CE LYS A 63 8.155 6.208 2.805 1.00 0.00 C ATOM 984 NZ LYS A 63 7.566 7.202 3.745 1.00 0.00 N ATOM 0 H LYS A 63 7.437 5.214 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 63 8.634 3.054 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.017 5.437 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.390 4.825 0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.393 3.007 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.908 3.885 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.296 5.148 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.441 4.405 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.180 5.989 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.199 6.637 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.143 8.068 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.596 7.430 3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.547 6.803 4.705 1.00 0.00 H new ATOM 998 N ASP A 64 5.528 2.661 -1.596 1.00 0.00 N ATOM 999 CA ASP A 64 4.426 1.707 -1.656 1.00 0.00 C ATOM 1000 C ASP A 64 4.632 0.711 -2.793 1.00 0.00 C ATOM 1001 O ASP A 64 3.998 -0.344 -2.830 1.00 0.00 O ATOM 1002 CB ASP A 64 3.097 2.441 -1.839 1.00 0.00 C ATOM 1003 CG ASP A 64 1.923 1.662 -1.279 1.00 0.00 C ATOM 1004 OD1 ASP A 64 1.353 0.834 -2.020 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.576 1.879 -0.099 1.00 0.00 O ATOM 0 H ASP A 64 5.412 3.477 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 64 4.402 1.158 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.152 3.413 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.932 2.628 -2.900 1.00 0.00 H new ATOM 1010 N LEU A 65 5.521 1.054 -3.719 1.00 0.00 N ATOM 1011 CA LEU A 65 5.810 0.190 -4.859 1.00 0.00 C ATOM 1012 C LEU A 65 6.347 -1.161 -4.396 1.00 0.00 C ATOM 1013 O LEU A 65 6.100 -2.187 -5.028 1.00 0.00 O ATOM 1014 CB LEU A 65 6.820 0.862 -5.790 1.00 0.00 C ATOM 1015 CG LEU A 65 7.257 0.046 -7.007 1.00 0.00 C ATOM 1016 CD1 LEU A 65 6.214 0.135 -8.111 1.00 0.00 C ATOM 1017 CD2 LEU A 65 8.611 0.523 -7.511 1.00 0.00 C ATOM 0 H LEU A 65 6.054 1.924 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 65 4.880 0.023 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.391 1.800 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.707 1.115 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 65 7.351 -0.997 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.542 -0.452 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.264 -0.255 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.088 1.176 -8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.906 -0.069 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.544 1.573 -7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.354 0.407 -6.722 1.00 0.00 H new