USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 535 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 10 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.328) USER MOD Single : A 14 SER OG : rot -60:sc= 0.183 USER MOD Single : A 20 CYS SG : rot 145:sc= 0.106 USER MOD Single : A 21 SER OG : rot -106:sc= 1.32 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.169) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.331 K(o=-0.33,f=-3!) USER MOD Single : A 35 SER OG : rot 60:sc= 0.138 USER MOD Single : A 39 THR OG1 : rot 66:sc= -0.826 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.99 K(o=-2,f=-3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.246 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.0486 X(o=0.049,f=0) USER MOD Single : A 58 TYR OH : rot 150:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.3) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.411 16.661 0.611 1.00 0.00 N ATOM 137 CA PRO A 9 2.195 15.212 0.847 1.00 0.00 C ATOM 138 C PRO A 9 0.783 14.959 1.383 1.00 0.00 C ATOM 139 O PRO A 9 0.473 15.282 2.515 1.00 0.00 O ATOM 140 CB PRO A 9 3.248 14.854 1.893 1.00 0.00 C ATOM 141 CG PRO A 9 3.535 16.135 2.606 1.00 0.00 C ATOM 142 CD PRO A 9 3.321 17.247 1.612 1.00 0.00 C ATOM 0 HA PRO A 9 2.285 14.615 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.878 14.094 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.147 14.452 1.426 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.876 16.254 3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.557 16.146 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.882 18.126 2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.261 17.564 1.160 1.00 0.00 H new ATOM 150 N LYS A 10 -0.074 14.383 0.577 1.00 0.00 N ATOM 151 CA LYS A 10 -1.472 14.102 1.030 1.00 0.00 C ATOM 152 C LYS A 10 -1.452 13.169 2.246 1.00 0.00 C ATOM 153 O LYS A 10 -0.421 12.964 2.856 1.00 0.00 O ATOM 154 CB LYS A 10 -2.162 13.423 -0.161 1.00 0.00 C ATOM 155 CG LYS A 10 -1.405 12.145 -0.558 1.00 0.00 C ATOM 156 CD LYS A 10 -0.802 12.307 -1.956 1.00 0.00 C ATOM 157 CE LYS A 10 0.276 11.243 -2.175 1.00 0.00 C ATOM 158 NZ LYS A 10 -0.463 9.949 -2.205 1.00 0.00 N ATOM 0 H LYS A 10 0.135 14.094 -0.379 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.995 15.010 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.192 13.178 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.200 14.109 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.616 11.940 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.082 11.291 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.581 12.212 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.372 13.303 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.814 11.412 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.014 11.258 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.139 9.215 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.716 9.671 -1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.329 10.057 -2.771 1.00 0.00 H new ATOM 172 N ARG A 11 -2.579 12.604 2.598 1.00 0.00 N ATOM 173 CA ARG A 11 -2.620 11.682 3.777 1.00 0.00 C ATOM 174 C ARG A 11 -1.687 10.481 3.537 1.00 0.00 C ATOM 175 O ARG A 11 -1.616 9.979 2.433 1.00 0.00 O ATOM 176 CB ARG A 11 -4.077 11.213 3.879 1.00 0.00 C ATOM 177 CG ARG A 11 -4.757 11.897 5.069 1.00 0.00 C ATOM 178 CD ARG A 11 -4.932 13.392 4.779 1.00 0.00 C ATOM 179 NE ARG A 11 -3.952 14.078 5.668 1.00 0.00 N ATOM 180 CZ ARG A 11 -4.340 15.064 6.429 1.00 0.00 C ATOM 181 NH1 ARG A 11 -4.399 16.275 5.947 1.00 0.00 N ATOM 182 NH2 ARG A 11 -4.669 14.839 7.672 1.00 0.00 N ATOM 0 H ARG A 11 -3.471 12.740 2.122 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.290 12.173 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.610 11.449 2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.113 10.130 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.727 11.438 5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.159 11.760 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.736 13.616 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.951 13.718 4.990 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.978 13.776 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.142 16.450 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.702 17.046 6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.623 13.892 8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.972 15.610 8.267 1.00 0.00 H new ATOM 196 N PRO A 12 -1.000 10.048 4.574 1.00 0.00 N ATOM 197 CA PRO A 12 -0.083 8.893 4.427 1.00 0.00 C ATOM 198 C PRO A 12 -0.892 7.590 4.325 1.00 0.00 C ATOM 199 O PRO A 12 -1.794 7.373 5.110 1.00 0.00 O ATOM 200 CB PRO A 12 0.745 8.920 5.708 1.00 0.00 C ATOM 201 CG PRO A 12 -0.108 9.627 6.710 1.00 0.00 C ATOM 202 CD PRO A 12 -1.003 10.572 5.951 1.00 0.00 C ATOM 0 HA PRO A 12 0.535 8.945 3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.989 7.911 6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.689 9.443 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.700 8.913 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.510 10.173 7.423 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.010 10.588 6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.626 11.594 5.989 1.00 0.00 H new ATOM 210 N PRO A 13 -0.560 6.757 3.360 1.00 0.00 N ATOM 211 CA PRO A 13 -1.293 5.484 3.190 1.00 0.00 C ATOM 212 C PRO A 13 -0.764 4.440 4.175 1.00 0.00 C ATOM 213 O PRO A 13 0.043 4.742 5.035 1.00 0.00 O ATOM 214 CB PRO A 13 -0.987 5.081 1.752 1.00 0.00 C ATOM 215 CG PRO A 13 0.316 5.742 1.417 1.00 0.00 C ATOM 216 CD PRO A 13 0.505 6.908 2.356 1.00 0.00 C ATOM 0 HA PRO A 13 -2.363 5.572 3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.913 3.998 1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.778 5.408 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.139 5.034 1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.315 6.083 0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.491 6.887 2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.420 7.858 1.829 1.00 0.00 H new ATOM 224 N SER A 14 -1.214 3.215 4.061 1.00 0.00 N ATOM 225 CA SER A 14 -0.738 2.150 4.994 1.00 0.00 C ATOM 226 C SER A 14 -1.161 0.766 4.491 1.00 0.00 C ATOM 227 O SER A 14 -1.871 0.044 5.163 1.00 0.00 O ATOM 228 CB SER A 14 -1.408 2.469 6.331 1.00 0.00 C ATOM 229 OG SER A 14 -0.931 1.569 7.321 1.00 0.00 O ATOM 0 H SER A 14 -1.890 2.907 3.362 1.00 0.00 H new ATOM 0 HA SER A 14 0.349 2.131 5.077 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.192 3.497 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.491 2.385 6.238 1.00 0.00 H new ATOM 0 HG SER A 14 -1.149 0.650 7.060 1.00 0.00 H new ATOM 235 N ALA A 15 -0.738 0.393 3.304 1.00 0.00 N ATOM 236 CA ALA A 15 -1.107 -0.941 2.718 1.00 0.00 C ATOM 237 C ALA A 15 -2.595 -0.972 2.364 1.00 0.00 C ATOM 238 O ALA A 15 -2.954 -0.894 1.205 1.00 0.00 O ATOM 239 CB ALA A 15 -0.759 -2.014 3.764 1.00 0.00 C ATOM 0 H ALA A 15 -0.143 0.966 2.706 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.556 -1.128 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.014 -2.999 3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.308 -1.975 3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.324 -1.829 4.677 1.00 0.00 H new ATOM 245 N PHE A 16 -3.464 -1.103 3.341 1.00 0.00 N ATOM 246 CA PHE A 16 -4.941 -1.154 3.056 1.00 0.00 C ATOM 247 C PHE A 16 -5.366 -0.035 2.094 1.00 0.00 C ATOM 248 O PHE A 16 -5.993 -0.284 1.082 1.00 0.00 O ATOM 249 CB PHE A 16 -5.613 -0.957 4.413 1.00 0.00 C ATOM 250 CG PHE A 16 -7.060 -1.374 4.318 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.388 -2.699 4.011 1.00 0.00 C ATOM 252 CD2 PHE A 16 -8.076 -0.434 4.531 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.729 -3.086 3.917 1.00 0.00 C ATOM 254 CE2 PHE A 16 -9.419 -0.821 4.439 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.745 -2.147 4.131 1.00 0.00 C ATOM 0 H PHE A 16 -3.215 -1.177 4.327 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.220 -2.094 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.102 -1.547 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.543 0.087 4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.605 -3.424 3.846 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.824 0.589 4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.980 -4.109 3.679 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.203 -0.097 4.606 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.780 -2.446 4.058 1.00 0.00 H new ATOM 265 N PHE A 17 -5.022 1.191 2.404 1.00 0.00 N ATOM 266 CA PHE A 17 -5.399 2.328 1.504 1.00 0.00 C ATOM 267 C PHE A 17 -4.821 2.091 0.104 1.00 0.00 C ATOM 268 O PHE A 17 -5.464 2.353 -0.895 1.00 0.00 O ATOM 269 CB PHE A 17 -4.776 3.579 2.142 1.00 0.00 C ATOM 270 CG PHE A 17 -5.868 4.492 2.653 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.588 4.148 3.802 1.00 0.00 C ATOM 272 CD2 PHE A 17 -6.158 5.682 1.974 1.00 0.00 C ATOM 273 CE1 PHE A 17 -7.599 4.993 4.275 1.00 0.00 C ATOM 274 CE2 PHE A 17 -7.170 6.528 2.447 1.00 0.00 C ATOM 275 CZ PHE A 17 -7.889 6.184 3.597 1.00 0.00 C ATOM 0 H PHE A 17 -4.498 1.454 3.239 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.479 2.432 1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.117 3.291 2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.163 4.105 1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.364 3.230 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.602 5.947 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.155 4.727 5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.395 7.446 1.924 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.668 6.837 3.962 1.00 0.00 H new ATOM 285 N LEU A 18 -3.613 1.593 0.032 1.00 0.00 N ATOM 286 CA LEU A 18 -2.982 1.330 -1.299 1.00 0.00 C ATOM 287 C LEU A 18 -3.799 0.286 -2.064 1.00 0.00 C ATOM 288 O LEU A 18 -4.071 0.437 -3.239 1.00 0.00 O ATOM 289 CB LEU A 18 -1.578 0.779 -1.000 1.00 0.00 C ATOM 290 CG LEU A 18 -0.778 1.740 -0.103 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.646 1.207 0.057 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.721 3.135 -0.738 1.00 0.00 C ATOM 0 H LEU A 18 -3.035 1.356 0.838 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.938 2.232 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.663 -0.192 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.041 0.620 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.267 1.809 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.219 1.883 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.615 0.218 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.121 1.139 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.152 3.805 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.237 3.072 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.733 3.521 -0.860 1.00 0.00 H new ATOM 304 N PHE A 19 -4.183 -0.773 -1.399 1.00 0.00 N ATOM 305 CA PHE A 19 -4.979 -1.846 -2.074 1.00 0.00 C ATOM 306 C PHE A 19 -6.378 -1.333 -2.424 1.00 0.00 C ATOM 307 O PHE A 19 -6.827 -1.450 -3.548 1.00 0.00 O ATOM 308 CB PHE A 19 -5.065 -2.982 -1.051 1.00 0.00 C ATOM 309 CG PHE A 19 -5.780 -4.165 -1.660 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.179 -4.205 -1.675 1.00 0.00 C ATOM 311 CD2 PHE A 19 -5.042 -5.220 -2.208 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.841 -5.302 -2.240 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.704 -6.317 -2.773 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.104 -6.358 -2.788 1.00 0.00 C ATOM 0 H PHE A 19 -3.980 -0.943 -0.414 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.519 -2.171 -3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.064 -3.274 -0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.596 -2.643 -0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.747 -3.390 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.963 -5.188 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.920 -5.333 -2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.135 -7.131 -3.197 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.615 -7.205 -3.222 1.00 0.00 H new ATOM 324 N CYS A 20 -7.070 -0.772 -1.466 1.00 0.00 N ATOM 325 CA CYS A 20 -8.451 -0.253 -1.729 1.00 0.00 C ATOM 326 C CYS A 20 -8.441 0.766 -2.874 1.00 0.00 C ATOM 327 O CYS A 20 -9.160 0.628 -3.845 1.00 0.00 O ATOM 328 CB CYS A 20 -8.884 0.418 -0.423 1.00 0.00 C ATOM 329 SG CYS A 20 -9.740 -0.785 0.625 1.00 0.00 S ATOM 0 H CYS A 20 -6.739 -0.649 -0.509 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.131 -1.051 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.014 0.816 0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.541 1.262 -0.636 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.463 -0.548 1.873 1.00 0.00 H new ATOM 335 N SER A 21 -7.634 1.789 -2.762 1.00 0.00 N ATOM 336 CA SER A 21 -7.575 2.830 -3.838 1.00 0.00 C ATOM 337 C SER A 21 -7.218 2.199 -5.189 1.00 0.00 C ATOM 338 O SER A 21 -7.611 2.689 -6.230 1.00 0.00 O ATOM 339 CB SER A 21 -6.478 3.801 -3.398 1.00 0.00 C ATOM 340 OG SER A 21 -5.239 3.107 -3.325 1.00 0.00 O ATOM 0 H SER A 21 -7.011 1.951 -1.971 1.00 0.00 H new ATOM 0 HA SER A 21 -8.536 3.328 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.404 4.628 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.725 4.231 -2.427 1.00 0.00 H new ATOM 0 HG SER A 21 -5.000 2.963 -2.386 1.00 0.00 H new ATOM 346 N GLU A 22 -6.465 1.128 -5.179 1.00 0.00 N ATOM 347 CA GLU A 22 -6.068 0.474 -6.463 1.00 0.00 C ATOM 348 C GLU A 22 -7.088 -0.589 -6.885 1.00 0.00 C ATOM 349 O GLU A 22 -7.187 -0.929 -8.050 1.00 0.00 O ATOM 350 CB GLU A 22 -4.718 -0.173 -6.172 1.00 0.00 C ATOM 351 CG GLU A 22 -3.603 0.856 -6.368 1.00 0.00 C ATOM 352 CD GLU A 22 -3.521 1.244 -7.845 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.078 0.423 -8.630 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.902 2.359 -8.165 1.00 0.00 O ATOM 0 H GLU A 22 -6.108 0.678 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.019 1.193 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.699 -0.555 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.561 -1.025 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.797 1.739 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.650 0.443 -6.036 1.00 0.00 H new ATOM 361 N TYR A 23 -7.838 -1.123 -5.953 1.00 0.00 N ATOM 362 CA TYR A 23 -8.841 -2.175 -6.310 1.00 0.00 C ATOM 363 C TYR A 23 -10.231 -1.561 -6.509 1.00 0.00 C ATOM 364 O TYR A 23 -10.997 -2.014 -7.336 1.00 0.00 O ATOM 365 CB TYR A 23 -8.846 -3.141 -5.125 1.00 0.00 C ATOM 366 CG TYR A 23 -7.802 -4.209 -5.347 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.443 -3.873 -5.332 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.194 -5.534 -5.572 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.475 -4.863 -5.540 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.226 -6.524 -5.780 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.867 -6.189 -5.764 1.00 0.00 C ATOM 372 OH TYR A 23 -4.913 -7.165 -5.970 1.00 0.00 O ATOM 0 H TYR A 23 -7.800 -0.877 -4.964 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.587 -2.674 -7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.640 -2.602 -4.201 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.831 -3.596 -5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.141 -2.850 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.243 -5.792 -5.585 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.426 -4.604 -5.528 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.528 -7.546 -5.953 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.354 -8.029 -6.109 1.00 0.00 H new ATOM 382 N ARG A 24 -10.563 -0.538 -5.759 1.00 0.00 N ATOM 383 CA ARG A 24 -11.907 0.109 -5.899 1.00 0.00 C ATOM 384 C ARG A 24 -12.257 0.406 -7.369 1.00 0.00 C ATOM 385 O ARG A 24 -13.305 -0.002 -7.816 1.00 0.00 O ATOM 386 CB ARG A 24 -11.826 1.406 -5.102 1.00 0.00 C ATOM 387 CG ARG A 24 -11.933 1.097 -3.607 1.00 0.00 C ATOM 388 CD ARG A 24 -11.469 2.311 -2.799 1.00 0.00 C ATOM 389 NE ARG A 24 -12.095 2.141 -1.459 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.062 2.935 -1.085 1.00 0.00 C ATOM 391 NH1 ARG A 24 -12.836 4.210 -0.927 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.254 2.452 -0.867 1.00 0.00 N ATOM 0 H ARG A 24 -9.958 -0.121 -5.052 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.691 -0.554 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.886 1.916 -5.312 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.628 2.080 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.962 0.848 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.323 0.228 -3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.382 2.345 -2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.786 3.242 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.769 1.405 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.904 4.587 -1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.592 4.830 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.430 1.455 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.010 3.072 -0.575 1.00 0.00 H new ATOM 406 N PRO A 25 -11.380 1.097 -8.087 1.00 0.00 N ATOM 407 CA PRO A 25 -11.663 1.416 -9.520 1.00 0.00 C ATOM 408 C PRO A 25 -11.854 0.128 -10.318 1.00 0.00 C ATOM 409 O PRO A 25 -12.592 0.091 -11.285 1.00 0.00 O ATOM 410 CB PRO A 25 -10.429 2.204 -9.964 1.00 0.00 C ATOM 411 CG PRO A 25 -9.365 1.799 -9.005 1.00 0.00 C ATOM 412 CD PRO A 25 -10.063 1.620 -7.683 1.00 0.00 C ATOM 0 HA PRO A 25 -12.579 1.986 -9.673 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.152 1.963 -10.990 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.609 3.278 -9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.882 0.875 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.587 2.559 -8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.531 0.924 -7.034 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.149 2.560 -7.139 1.00 0.00 H new ATOM 420 N LYS A 26 -11.224 -0.936 -9.894 1.00 0.00 N ATOM 421 CA LYS A 26 -11.400 -2.240 -10.596 1.00 0.00 C ATOM 422 C LYS A 26 -12.825 -2.729 -10.352 1.00 0.00 C ATOM 423 O LYS A 26 -13.516 -3.168 -11.251 1.00 0.00 O ATOM 424 CB LYS A 26 -10.407 -3.189 -9.932 1.00 0.00 C ATOM 425 CG LYS A 26 -10.182 -4.408 -10.828 1.00 0.00 C ATOM 426 CD LYS A 26 -11.325 -5.404 -10.631 1.00 0.00 C ATOM 427 CE LYS A 26 -10.928 -6.762 -11.217 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.016 -7.691 -10.805 1.00 0.00 N ATOM 0 H LYS A 26 -10.595 -0.958 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.234 -2.171 -11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.462 -2.676 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.785 -3.505 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.130 -4.100 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.229 -4.879 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.553 -5.507 -9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.229 -5.037 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.840 -6.713 -12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.962 -7.090 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.815 -8.644 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.071 -7.722 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.922 -7.357 -11.190 1.00 0.00 H new ATOM 442 N ILE A 27 -13.262 -2.642 -9.122 1.00 0.00 N ATOM 443 CA ILE A 27 -14.643 -3.085 -8.764 1.00 0.00 C ATOM 444 C ILE A 27 -15.678 -2.299 -9.574 1.00 0.00 C ATOM 445 O ILE A 27 -16.777 -2.763 -9.801 1.00 0.00 O ATOM 446 CB ILE A 27 -14.806 -2.736 -7.270 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.770 -3.483 -6.415 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.216 -3.109 -6.795 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.917 -4.992 -6.601 1.00 0.00 C ATOM 0 H ILE A 27 -12.715 -2.279 -8.342 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.789 -4.146 -8.968 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.649 -1.663 -7.155 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.764 -3.172 -6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.902 -3.225 -5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.322 -2.859 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.954 -2.555 -7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.375 -4.178 -6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.177 -5.508 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.917 -5.300 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.762 -5.246 -7.650 1.00 0.00 H new ATOM 461 N LYS A 28 -15.345 -1.101 -9.971 1.00 0.00 N ATOM 462 CA LYS A 28 -16.333 -0.265 -10.717 1.00 0.00 C ATOM 463 C LYS A 28 -16.460 -0.758 -12.160 1.00 0.00 C ATOM 464 O LYS A 28 -17.528 -0.725 -12.742 1.00 0.00 O ATOM 465 CB LYS A 28 -15.818 1.196 -10.678 1.00 0.00 C ATOM 466 CG LYS A 28 -15.145 1.578 -9.336 1.00 0.00 C ATOM 467 CD LYS A 28 -15.876 1.012 -8.101 1.00 0.00 C ATOM 468 CE LYS A 28 -17.355 1.410 -8.134 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.373 2.852 -7.761 1.00 0.00 N ATOM 0 H LYS A 28 -14.436 -0.665 -9.813 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.322 -0.331 -10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.104 1.343 -11.488 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.653 1.872 -10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.117 1.216 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.101 2.664 -9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.784 -0.074 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.411 1.388 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.784 1.253 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.940 0.814 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.072 3.007 -7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.431 3.135 -7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.629 3.422 -8.592 1.00 0.00 H new ATOM 483 N SER A 29 -15.381 -1.215 -12.740 1.00 0.00 N ATOM 484 CA SER A 29 -15.437 -1.714 -14.150 1.00 0.00 C ATOM 485 C SER A 29 -16.325 -2.962 -14.246 1.00 0.00 C ATOM 486 O SER A 29 -16.809 -3.302 -15.309 1.00 0.00 O ATOM 487 CB SER A 29 -13.992 -2.058 -14.512 1.00 0.00 C ATOM 488 OG SER A 29 -13.907 -2.310 -15.909 1.00 0.00 O ATOM 0 H SER A 29 -14.462 -1.265 -12.300 1.00 0.00 H new ATOM 0 HA SER A 29 -15.862 -0.972 -14.826 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.330 -1.236 -14.238 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.663 -2.933 -13.952 1.00 0.00 H new ATOM 0 HG SER A 29 -12.982 -2.530 -16.146 1.00 0.00 H new ATOM 494 N GLU A 30 -16.535 -3.652 -13.149 1.00 0.00 N ATOM 495 CA GLU A 30 -17.384 -4.883 -13.184 1.00 0.00 C ATOM 496 C GLU A 30 -18.583 -4.765 -12.230 1.00 0.00 C ATOM 497 O GLU A 30 -19.488 -5.579 -12.271 1.00 0.00 O ATOM 498 CB GLU A 30 -16.453 -6.011 -12.738 1.00 0.00 C ATOM 499 CG GLU A 30 -15.892 -6.732 -13.965 1.00 0.00 C ATOM 500 CD GLU A 30 -16.956 -7.670 -14.539 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.848 -7.179 -15.211 1.00 0.00 O ATOM 502 OE2 GLU A 30 -16.862 -8.861 -14.295 1.00 0.00 O ATOM 0 H GLU A 30 -16.155 -3.415 -12.233 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.804 -5.055 -14.175 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.638 -5.607 -12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.995 -6.715 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.588 -6.006 -14.719 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.002 -7.299 -13.691 1.00 0.00 H new ATOM 509 N HIS A 31 -18.609 -3.761 -11.386 1.00 0.00 N ATOM 510 CA HIS A 31 -19.769 -3.601 -10.453 1.00 0.00 C ATOM 511 C HIS A 31 -20.225 -2.135 -10.451 1.00 0.00 C ATOM 512 O HIS A 31 -19.689 -1.328 -9.719 1.00 0.00 O ATOM 513 CB HIS A 31 -19.279 -4.011 -9.055 1.00 0.00 C ATOM 514 CG HIS A 31 -18.603 -5.357 -9.105 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.235 -5.488 -9.274 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.093 -6.636 -9.001 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.949 -6.802 -9.267 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.046 -7.548 -9.104 1.00 0.00 N ATOM 0 H HIS A 31 -17.882 -3.050 -11.303 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.614 -4.218 -10.758 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.584 -3.263 -8.673 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.121 -4.046 -8.364 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.566 -4.726 -9.384 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.132 -6.895 -8.861 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.954 -7.206 -9.379 1.00 0.00 H new ATOM 526 N PRO A 32 -21.202 -1.830 -11.277 1.00 0.00 N ATOM 527 CA PRO A 32 -21.710 -0.440 -11.356 1.00 0.00 C ATOM 528 C PRO A 32 -22.570 -0.123 -10.135 1.00 0.00 C ATOM 529 O PRO A 32 -22.603 0.998 -9.661 1.00 0.00 O ATOM 530 CB PRO A 32 -22.545 -0.431 -12.633 1.00 0.00 C ATOM 531 CG PRO A 32 -22.952 -1.854 -12.855 1.00 0.00 C ATOM 532 CD PRO A 32 -21.920 -2.730 -12.197 1.00 0.00 C ATOM 0 HA PRO A 32 -20.917 0.308 -11.373 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.417 0.215 -12.527 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.968 -0.052 -13.476 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.939 -2.041 -12.432 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.016 -2.072 -13.921 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.385 -3.557 -11.660 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.244 -3.167 -12.932 1.00 0.00 H new ATOM 540 N GLY A 33 -23.257 -1.106 -9.623 1.00 0.00 N ATOM 541 CA GLY A 33 -24.115 -0.884 -8.428 1.00 0.00 C ATOM 542 C GLY A 33 -23.240 -0.799 -7.169 1.00 0.00 C ATOM 543 O GLY A 33 -23.642 -0.238 -6.172 1.00 0.00 O ATOM 0 H GLY A 33 -23.260 -2.060 -9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.689 0.035 -8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.834 -1.697 -8.329 1.00 0.00 H new ATOM 547 N LEU A 34 -22.057 -1.365 -7.212 1.00 0.00 N ATOM 548 CA LEU A 34 -21.139 -1.338 -6.020 1.00 0.00 C ATOM 549 C LEU A 34 -20.897 0.099 -5.532 1.00 0.00 C ATOM 550 O LEU A 34 -19.930 0.733 -5.908 1.00 0.00 O ATOM 551 CB LEU A 34 -19.819 -1.958 -6.524 1.00 0.00 C ATOM 552 CG LEU A 34 -19.553 -3.315 -5.848 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.244 -3.098 -4.366 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.772 -4.239 -5.990 1.00 0.00 C ATOM 0 H LEU A 34 -21.682 -1.850 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.564 -1.881 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.864 -2.089 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.992 -1.278 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.700 -3.786 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.056 -4.060 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.362 -2.465 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.094 -2.614 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.564 -5.193 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.638 -3.774 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.980 -4.406 -7.047 1.00 0.00 H new ATOM 566 N SER A 35 -21.764 0.608 -4.692 1.00 0.00 N ATOM 567 CA SER A 35 -21.584 1.997 -4.170 1.00 0.00 C ATOM 568 C SER A 35 -20.512 1.998 -3.078 1.00 0.00 C ATOM 569 O SER A 35 -20.055 0.954 -2.655 1.00 0.00 O ATOM 570 CB SER A 35 -22.944 2.386 -3.588 1.00 0.00 C ATOM 571 OG SER A 35 -23.899 2.459 -4.639 1.00 0.00 O ATOM 0 H SER A 35 -22.590 0.120 -4.345 1.00 0.00 H new ATOM 0 HA SER A 35 -21.264 2.696 -4.942 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.258 1.653 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.873 3.346 -3.078 1.00 0.00 H new ATOM 0 HG SER A 35 -23.971 1.585 -5.077 1.00 0.00 H new ATOM 577 N ILE A 36 -20.107 3.158 -2.614 1.00 0.00 N ATOM 578 CA ILE A 36 -19.056 3.216 -1.543 1.00 0.00 C ATOM 579 C ILE A 36 -19.456 2.330 -0.355 1.00 0.00 C ATOM 580 O ILE A 36 -18.614 1.789 0.336 1.00 0.00 O ATOM 581 CB ILE A 36 -18.978 4.691 -1.117 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.504 5.556 -2.298 1.00 0.00 C ATOM 583 CG2 ILE A 36 -17.995 4.839 0.054 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.119 5.097 -2.775 1.00 0.00 C ATOM 0 H ILE A 36 -20.456 4.064 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.093 2.852 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 36 -19.968 5.023 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.219 5.487 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.464 6.603 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.941 5.886 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.338 4.237 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.007 4.499 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.798 5.719 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.404 5.189 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.171 4.057 -3.096 1.00 0.00 H new ATOM 596 N GLY A 37 -20.735 2.178 -0.123 1.00 0.00 N ATOM 597 CA GLY A 37 -21.197 1.326 1.010 1.00 0.00 C ATOM 598 C GLY A 37 -20.706 -0.106 0.795 1.00 0.00 C ATOM 599 O GLY A 37 -19.875 -0.601 1.530 1.00 0.00 O ATOM 0 H GLY A 37 -21.479 2.609 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.815 1.716 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.285 1.344 1.074 1.00 0.00 H new ATOM 603 N ASP A 38 -21.205 -0.765 -0.217 1.00 0.00 N ATOM 604 CA ASP A 38 -20.767 -2.165 -0.494 1.00 0.00 C ATOM 605 C ASP A 38 -19.318 -2.182 -0.994 1.00 0.00 C ATOM 606 O ASP A 38 -18.583 -3.110 -0.738 1.00 0.00 O ATOM 607 CB ASP A 38 -21.714 -2.674 -1.584 1.00 0.00 C ATOM 608 CG ASP A 38 -22.882 -3.423 -0.939 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.655 -4.511 -0.436 1.00 0.00 O ATOM 610 OD2 ASP A 38 -23.981 -2.896 -0.958 1.00 0.00 O ATOM 0 H ASP A 38 -21.899 -0.393 -0.866 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.802 -2.788 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.087 -1.838 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.178 -3.334 -2.267 1.00 0.00 H new ATOM 615 N THR A 39 -18.901 -1.153 -1.685 1.00 0.00 N ATOM 616 CA THR A 39 -17.493 -1.105 -2.192 1.00 0.00 C ATOM 617 C THR A 39 -16.515 -1.037 -1.016 1.00 0.00 C ATOM 618 O THR A 39 -15.406 -1.535 -1.091 1.00 0.00 O ATOM 619 CB THR A 39 -17.408 0.165 -3.052 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.308 0.050 -4.146 1.00 0.00 O ATOM 621 CG2 THR A 39 -15.984 0.340 -3.587 1.00 0.00 C ATOM 0 H THR A 39 -19.473 -0.342 -1.921 1.00 0.00 H new ATOM 0 HA THR A 39 -17.233 -1.992 -2.770 1.00 0.00 H new ATOM 0 HB THR A 39 -17.671 1.030 -2.443 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.229 0.043 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.932 1.243 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.289 0.426 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.715 -0.524 -4.195 1.00 0.00 H new ATOM 629 N ALA A 40 -16.918 -0.425 0.066 1.00 0.00 N ATOM 630 CA ALA A 40 -16.015 -0.322 1.252 1.00 0.00 C ATOM 631 C ALA A 40 -15.953 -1.661 1.990 1.00 0.00 C ATOM 632 O ALA A 40 -14.899 -2.095 2.415 1.00 0.00 O ATOM 633 CB ALA A 40 -16.644 0.752 2.142 1.00 0.00 C ATOM 0 H ALA A 40 -17.834 0.009 0.181 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.993 -0.068 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.036 0.885 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.696 1.693 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.649 0.444 2.429 1.00 0.00 H new ATOM 639 N LYS A 41 -17.078 -2.311 2.156 1.00 0.00 N ATOM 640 CA LYS A 41 -17.090 -3.620 2.884 1.00 0.00 C ATOM 641 C LYS A 41 -16.835 -4.805 1.936 1.00 0.00 C ATOM 642 O LYS A 41 -16.580 -5.908 2.384 1.00 0.00 O ATOM 643 CB LYS A 41 -18.477 -3.719 3.539 1.00 0.00 C ATOM 644 CG LYS A 41 -19.576 -3.827 2.476 1.00 0.00 C ATOM 645 CD LYS A 41 -20.937 -3.543 3.118 1.00 0.00 C ATOM 646 CE LYS A 41 -21.025 -2.067 3.530 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.543 -2.085 4.927 1.00 0.00 N ATOM 0 H LYS A 41 -17.987 -1.994 1.820 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.292 -3.663 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.513 -4.589 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.653 -2.842 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.387 -3.118 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.572 -4.823 2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.736 -3.782 2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.077 -4.182 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.049 -1.584 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.691 -1.512 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.630 -1.110 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.476 -2.544 4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.885 -2.614 5.534 1.00 0.00 H new ATOM 661 N LYS A 42 -16.893 -4.599 0.638 1.00 0.00 N ATOM 662 CA LYS A 42 -16.642 -5.734 -0.309 1.00 0.00 C ATOM 663 C LYS A 42 -15.138 -6.003 -0.412 1.00 0.00 C ATOM 664 O LYS A 42 -14.677 -7.093 -0.134 1.00 0.00 O ATOM 665 CB LYS A 42 -17.209 -5.276 -1.660 1.00 0.00 C ATOM 666 CG LYS A 42 -16.981 -6.356 -2.724 1.00 0.00 C ATOM 667 CD LYS A 42 -17.703 -7.647 -2.318 1.00 0.00 C ATOM 668 CE LYS A 42 -18.290 -8.321 -3.560 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.081 -9.779 -3.340 1.00 0.00 N ATOM 0 H LYS A 42 -17.101 -3.703 0.198 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.111 -6.660 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.275 -5.069 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.730 -4.346 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.349 -6.011 -3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.914 -6.546 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.008 -8.323 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.496 -7.423 -1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.348 -8.086 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.789 -7.983 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.458 -10.310 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.064 -9.973 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.575 -10.074 -2.473 1.00 0.00 H new ATOM 683 N LEU A 43 -14.372 -5.017 -0.820 1.00 0.00 N ATOM 684 CA LEU A 43 -12.886 -5.200 -0.958 1.00 0.00 C ATOM 685 C LEU A 43 -12.289 -5.859 0.295 1.00 0.00 C ATOM 686 O LEU A 43 -11.288 -6.548 0.225 1.00 0.00 O ATOM 687 CB LEU A 43 -12.326 -3.787 -1.130 1.00 0.00 C ATOM 688 CG LEU A 43 -12.741 -3.236 -2.495 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.613 -1.711 -2.490 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.830 -3.819 -3.577 1.00 0.00 C ATOM 0 H LEU A 43 -14.713 -4.087 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.639 -5.851 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.697 -3.138 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.239 -3.803 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.775 -3.514 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.909 -1.318 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.260 -1.294 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.579 -1.433 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.125 -3.427 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.796 -3.540 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.919 -4.905 -3.581 1.00 0.00 H new ATOM 702 N GLY A 44 -12.905 -5.656 1.432 1.00 0.00 N ATOM 703 CA GLY A 44 -12.387 -6.272 2.688 1.00 0.00 C ATOM 704 C GLY A 44 -12.487 -7.795 2.581 1.00 0.00 C ATOM 705 O GLY A 44 -11.628 -8.516 3.051 1.00 0.00 O ATOM 0 H GLY A 44 -13.746 -5.089 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.351 -5.974 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.961 -5.917 3.544 1.00 0.00 H new ATOM 709 N GLU A 45 -13.540 -8.288 1.973 1.00 0.00 N ATOM 710 CA GLU A 45 -13.723 -9.772 1.830 1.00 0.00 C ATOM 711 C GLU A 45 -12.452 -10.439 1.280 1.00 0.00 C ATOM 712 O GLU A 45 -12.117 -11.549 1.651 1.00 0.00 O ATOM 713 CB GLU A 45 -14.878 -9.936 0.837 1.00 0.00 C ATOM 714 CG GLU A 45 -15.639 -11.226 1.148 1.00 0.00 C ATOM 715 CD GLU A 45 -16.469 -11.035 2.419 1.00 0.00 C ATOM 716 OE1 GLU A 45 -15.910 -11.175 3.495 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.650 -10.754 2.295 1.00 0.00 O ATOM 0 H GLU A 45 -14.286 -7.724 1.566 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.928 -10.244 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.550 -9.080 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.494 -9.965 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.288 -11.488 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.939 -12.051 1.279 1.00 0.00 H new ATOM 724 N MET A 46 -11.746 -9.766 0.408 1.00 0.00 N ATOM 725 CA MET A 46 -10.497 -10.352 -0.163 1.00 0.00 C ATOM 726 C MET A 46 -9.296 -9.982 0.709 1.00 0.00 C ATOM 727 O MET A 46 -8.378 -10.761 0.886 1.00 0.00 O ATOM 728 CB MET A 46 -10.362 -9.728 -1.552 1.00 0.00 C ATOM 729 CG MET A 46 -11.558 -10.135 -2.414 1.00 0.00 C ATOM 730 SD MET A 46 -11.219 -11.731 -3.199 1.00 0.00 S ATOM 731 CE MET A 46 -12.930 -12.316 -3.267 1.00 0.00 C ATOM 0 H MET A 46 -11.981 -8.834 0.066 1.00 0.00 H new ATOM 0 HA MET A 46 -10.536 -11.440 -0.209 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.312 -8.642 -1.471 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.434 -10.056 -2.021 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.456 -10.203 -1.800 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.747 -9.377 -3.174 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.959 -13.305 -3.725 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.336 -12.372 -2.257 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.528 -11.624 -3.860 1.00 0.00 H new ATOM 741 N TRP A 47 -9.296 -8.789 1.246 1.00 0.00 N ATOM 742 CA TRP A 47 -8.153 -8.347 2.105 1.00 0.00 C ATOM 743 C TRP A 47 -8.066 -9.184 3.390 1.00 0.00 C ATOM 744 O TRP A 47 -7.081 -9.118 4.102 1.00 0.00 O ATOM 745 CB TRP A 47 -8.441 -6.883 2.442 1.00 0.00 C ATOM 746 CG TRP A 47 -7.272 -6.304 3.172 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.253 -5.989 4.487 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.951 -5.971 2.653 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.007 -5.482 4.809 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.168 -5.452 3.711 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.362 -6.068 1.379 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.849 -5.044 3.514 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.034 -5.657 1.176 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.280 -5.147 2.242 1.00 0.00 C ATOM 0 H TRP A 47 -10.039 -8.100 1.127 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.200 -8.471 1.591 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.630 -6.318 1.529 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.340 -6.809 3.054 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.077 -6.113 5.174 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.740 -5.169 5.742 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.934 -6.461 0.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.272 -4.652 4.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.592 -5.734 0.194 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.259 -4.834 2.080 1.00 0.00 H new ATOM 765 N SER A 48 -9.077 -9.962 3.701 1.00 0.00 N ATOM 766 CA SER A 48 -9.032 -10.786 4.947 1.00 0.00 C ATOM 767 C SER A 48 -8.647 -12.236 4.627 1.00 0.00 C ATOM 768 O SER A 48 -7.859 -12.842 5.328 1.00 0.00 O ATOM 769 CB SER A 48 -10.449 -10.722 5.513 1.00 0.00 C ATOM 770 OG SER A 48 -10.481 -11.378 6.775 1.00 0.00 O ATOM 0 H SER A 48 -9.927 -10.060 3.146 1.00 0.00 H new ATOM 0 HA SER A 48 -8.289 -10.416 5.653 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.763 -9.684 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.149 -11.197 4.826 1.00 0.00 H new ATOM 0 HG SER A 48 -11.389 -11.337 7.142 1.00 0.00 H new ATOM 776 N GLU A 49 -9.201 -12.796 3.579 1.00 0.00 N ATOM 777 CA GLU A 49 -8.868 -14.212 3.222 1.00 0.00 C ATOM 778 C GLU A 49 -7.397 -14.328 2.800 1.00 0.00 C ATOM 779 O GLU A 49 -6.775 -15.359 2.973 1.00 0.00 O ATOM 780 CB GLU A 49 -9.809 -14.585 2.067 1.00 0.00 C ATOM 781 CG GLU A 49 -9.525 -13.708 0.845 1.00 0.00 C ATOM 782 CD GLU A 49 -10.624 -13.916 -0.198 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.777 -13.693 0.133 1.00 0.00 O ATOM 784 OE2 GLU A 49 -10.295 -14.293 -1.310 1.00 0.00 O ATOM 0 H GLU A 49 -9.867 -12.337 2.957 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.001 -14.885 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.678 -15.635 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.846 -14.461 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.481 -12.659 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.553 -13.961 0.421 1.00 0.00 H new ATOM 791 N GLN A 50 -6.841 -13.277 2.249 1.00 0.00 N ATOM 792 CA GLN A 50 -5.407 -13.320 1.815 1.00 0.00 C ATOM 793 C GLN A 50 -4.501 -13.652 3.005 1.00 0.00 C ATOM 794 O GLN A 50 -4.804 -13.327 4.137 1.00 0.00 O ATOM 795 CB GLN A 50 -5.102 -11.919 1.270 1.00 0.00 C ATOM 796 CG GLN A 50 -5.319 -10.869 2.365 1.00 0.00 C ATOM 797 CD GLN A 50 -4.868 -9.500 1.855 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.241 -8.747 2.574 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.163 -9.141 0.635 1.00 0.00 N ATOM 0 H GLN A 50 -7.317 -12.391 2.080 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.231 -14.088 1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.073 -11.875 0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.745 -11.704 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.371 -10.835 2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.757 -11.139 3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.689 -9.772 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.867 -8.229 0.286 1.00 0.00 H new ATOM 808 N SER A 51 -3.390 -14.292 2.750 1.00 0.00 N ATOM 809 CA SER A 51 -2.453 -14.646 3.855 1.00 0.00 C ATOM 810 C SER A 51 -1.384 -13.560 3.992 1.00 0.00 C ATOM 811 O SER A 51 -1.604 -12.418 3.631 1.00 0.00 O ATOM 812 CB SER A 51 -1.830 -15.977 3.432 1.00 0.00 C ATOM 813 OG SER A 51 -1.181 -16.567 4.551 1.00 0.00 O ATOM 0 H SER A 51 -3.091 -14.586 1.820 1.00 0.00 H new ATOM 0 HA SER A 51 -2.951 -14.726 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.600 -16.647 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.115 -15.817 2.625 1.00 0.00 H new ATOM 0 HG SER A 51 -0.782 -17.421 4.285 1.00 0.00 H new ATOM 819 N ALA A 52 -0.229 -13.902 4.504 1.00 0.00 N ATOM 820 CA ALA A 52 0.856 -12.888 4.655 1.00 0.00 C ATOM 821 C ALA A 52 1.666 -12.789 3.358 1.00 0.00 C ATOM 822 O ALA A 52 2.879 -12.894 3.366 1.00 0.00 O ATOM 823 CB ALA A 52 1.727 -13.410 5.799 1.00 0.00 C ATOM 0 H ALA A 52 0.009 -14.841 4.824 1.00 0.00 H new ATOM 0 HA ALA A 52 0.469 -11.891 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.551 -12.718 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.126 -13.495 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.125 -14.390 5.535 1.00 0.00 H new ATOM 829 N LYS A 53 1.002 -12.592 2.245 1.00 0.00 N ATOM 830 CA LYS A 53 1.728 -12.489 0.945 1.00 0.00 C ATOM 831 C LYS A 53 1.319 -11.211 0.208 1.00 0.00 C ATOM 832 O LYS A 53 2.154 -10.487 -0.297 1.00 0.00 O ATOM 833 CB LYS A 53 1.297 -13.724 0.153 1.00 0.00 C ATOM 834 CG LYS A 53 2.133 -14.929 0.590 1.00 0.00 C ATOM 835 CD LYS A 53 2.008 -16.042 -0.453 1.00 0.00 C ATOM 836 CE LYS A 53 2.365 -17.386 0.189 1.00 0.00 C ATOM 837 NZ LYS A 53 1.090 -17.877 0.783 1.00 0.00 N ATOM 0 H LYS A 53 -0.012 -12.498 2.183 1.00 0.00 H new ATOM 0 HA LYS A 53 2.809 -12.445 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.238 -13.924 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.425 -13.547 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.177 -14.638 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.794 -15.287 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.992 -16.073 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.670 -15.842 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.752 -18.087 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.136 -17.268 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.252 -18.796 1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.749 -17.192 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.377 -17.986 0.034 1.00 0.00 H new ATOM 851 N ASP A 54 0.041 -10.942 0.129 1.00 0.00 N ATOM 852 CA ASP A 54 -0.430 -9.716 -0.594 1.00 0.00 C ATOM 853 C ASP A 54 -0.020 -8.441 0.151 1.00 0.00 C ATOM 854 O ASP A 54 0.204 -7.412 -0.458 1.00 0.00 O ATOM 855 CB ASP A 54 -1.955 -9.838 -0.638 1.00 0.00 C ATOM 856 CG ASP A 54 -2.515 -8.873 -1.686 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.417 -7.676 -1.471 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.031 -9.349 -2.684 1.00 0.00 O ATOM 0 H ASP A 54 -0.699 -11.516 0.533 1.00 0.00 H new ATOM 0 HA ASP A 54 0.009 -9.647 -1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.242 -10.861 -0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.377 -9.613 0.341 1.00 0.00 H new ATOM 863 N LYS A 55 0.065 -8.492 1.456 1.00 0.00 N ATOM 864 CA LYS A 55 0.444 -7.269 2.231 1.00 0.00 C ATOM 865 C LYS A 55 1.961 -7.051 2.212 1.00 0.00 C ATOM 866 O LYS A 55 2.426 -5.934 2.172 1.00 0.00 O ATOM 867 CB LYS A 55 -0.037 -7.537 3.658 1.00 0.00 C ATOM 868 CG LYS A 55 -1.540 -7.264 3.750 1.00 0.00 C ATOM 869 CD LYS A 55 -2.155 -8.151 4.834 1.00 0.00 C ATOM 870 CE LYS A 55 -1.759 -7.621 6.214 1.00 0.00 C ATOM 871 NZ LYS A 55 -2.160 -8.691 7.167 1.00 0.00 N ATOM 0 H LYS A 55 -0.111 -9.325 2.018 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.002 -6.370 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.173 -8.570 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.502 -6.902 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.716 -6.214 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.016 -7.463 2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.240 -8.164 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.812 -9.179 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.688 -7.424 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.267 -6.683 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.920 -8.400 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.185 -8.852 7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.655 -9.570 6.934 1.00 0.00 H new ATOM 885 N GLN A 56 2.731 -8.111 2.277 1.00 0.00 N ATOM 886 CA GLN A 56 4.234 -7.984 2.299 1.00 0.00 C ATOM 887 C GLN A 56 4.761 -6.949 1.276 1.00 0.00 C ATOM 888 O GLN A 56 5.466 -6.035 1.652 1.00 0.00 O ATOM 889 CB GLN A 56 4.749 -9.383 1.951 1.00 0.00 C ATOM 890 CG GLN A 56 5.095 -10.141 3.235 1.00 0.00 C ATOM 891 CD GLN A 56 6.179 -11.179 2.939 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.349 -10.929 3.152 1.00 0.00 O ATOM 893 NE2 GLN A 56 5.837 -12.341 2.454 1.00 0.00 N ATOM 0 H GLN A 56 2.385 -9.070 2.316 1.00 0.00 H new ATOM 0 HA GLN A 56 4.578 -7.630 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.993 -9.929 1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.630 -9.308 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.442 -9.445 3.998 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.206 -10.631 3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.855 -12.550 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.552 -13.040 2.253 1.00 0.00 H new ATOM 902 N PRO A 57 4.423 -7.123 0.017 1.00 0.00 N ATOM 903 CA PRO A 57 4.903 -6.178 -1.026 1.00 0.00 C ATOM 904 C PRO A 57 4.123 -4.857 -0.987 1.00 0.00 C ATOM 905 O PRO A 57 4.663 -3.801 -1.254 1.00 0.00 O ATOM 906 CB PRO A 57 4.624 -6.913 -2.331 1.00 0.00 C ATOM 907 CG PRO A 57 3.498 -7.843 -2.019 1.00 0.00 C ATOM 908 CD PRO A 57 3.591 -8.191 -0.556 1.00 0.00 C ATOM 0 HA PRO A 57 5.952 -5.912 -0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.353 -6.218 -3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.504 -7.459 -2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.540 -7.373 -2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.562 -8.742 -2.632 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.606 -8.221 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.044 -9.171 -0.408 1.00 0.00 H new ATOM 916 N TYR A 58 2.851 -4.916 -0.694 1.00 0.00 N ATOM 917 CA TYR A 58 2.016 -3.670 -0.674 1.00 0.00 C ATOM 918 C TYR A 58 2.158 -2.897 0.652 1.00 0.00 C ATOM 919 O TYR A 58 1.664 -1.791 0.777 1.00 0.00 O ATOM 920 CB TYR A 58 0.572 -4.166 -0.864 1.00 0.00 C ATOM 921 CG TYR A 58 -0.005 -3.597 -2.141 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.471 -4.041 -3.380 1.00 0.00 C ATOM 923 CD2 TYR A 58 -1.011 -2.625 -2.084 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.061 -3.515 -4.564 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.544 -2.100 -3.267 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.068 -2.545 -4.507 1.00 0.00 C ATOM 927 OH TYR A 58 -1.593 -2.026 -5.674 1.00 0.00 O ATOM 0 H TYR A 58 2.349 -5.774 -0.466 1.00 0.00 H new ATOM 0 HA TYR A 58 2.327 -2.971 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.554 -5.255 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.040 -3.866 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.249 -4.789 -3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.376 -2.280 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.306 -3.858 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.322 -1.352 -3.224 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.527 -1.770 -5.527 1.00 0.00 H new ATOM 937 N GLU A 59 2.807 -3.463 1.641 1.00 0.00 N ATOM 938 CA GLU A 59 2.949 -2.748 2.951 1.00 0.00 C ATOM 939 C GLU A 59 4.208 -1.868 2.970 1.00 0.00 C ATOM 940 O GLU A 59 4.289 -0.913 3.720 1.00 0.00 O ATOM 941 CB GLU A 59 3.028 -3.857 4.013 1.00 0.00 C ATOM 942 CG GLU A 59 4.305 -4.694 3.828 1.00 0.00 C ATOM 943 CD GLU A 59 5.209 -4.546 5.057 1.00 0.00 C ATOM 944 OE1 GLU A 59 4.819 -5.014 6.114 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.274 -3.967 4.919 1.00 0.00 O ATOM 0 H GLU A 59 3.243 -4.384 1.600 1.00 0.00 H new ATOM 0 HA GLU A 59 2.112 -2.074 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.018 -3.415 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.151 -4.501 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.045 -5.742 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.837 -4.369 2.934 1.00 0.00 H new ATOM 952 N GLN A 60 5.186 -2.182 2.158 1.00 0.00 N ATOM 953 CA GLN A 60 6.439 -1.360 2.138 1.00 0.00 C ATOM 954 C GLN A 60 6.232 -0.070 1.332 1.00 0.00 C ATOM 955 O GLN A 60 6.963 0.889 1.492 1.00 0.00 O ATOM 956 CB GLN A 60 7.505 -2.249 1.484 1.00 0.00 C ATOM 957 CG GLN A 60 7.062 -2.654 0.076 1.00 0.00 C ATOM 958 CD GLN A 60 8.284 -3.069 -0.744 1.00 0.00 C ATOM 959 OE1 GLN A 60 8.361 -4.184 -1.221 1.00 0.00 O ATOM 960 NE2 GLN A 60 9.251 -2.213 -0.929 1.00 0.00 N ATOM 0 H GLN A 60 5.173 -2.969 1.509 1.00 0.00 H new ATOM 0 HA GLN A 60 6.734 -1.052 3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.454 -1.716 1.435 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.670 -3.139 2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.350 -3.478 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.551 -1.823 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.187 -1.277 -0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.071 -2.480 -1.474 1.00 0.00 H new ATOM 969 N LYS A 61 5.246 -0.040 0.468 1.00 0.00 N ATOM 970 CA LYS A 61 4.994 1.189 -0.347 1.00 0.00 C ATOM 971 C LYS A 61 4.687 2.379 0.567 1.00 0.00 C ATOM 972 O LYS A 61 5.278 3.435 0.435 1.00 0.00 O ATOM 973 CB LYS A 61 3.784 0.843 -1.229 1.00 0.00 C ATOM 974 CG LYS A 61 3.373 2.061 -2.062 1.00 0.00 C ATOM 975 CD LYS A 61 2.568 1.601 -3.278 1.00 0.00 C ATOM 976 CE LYS A 61 2.246 2.808 -4.162 1.00 0.00 C ATOM 977 NZ LYS A 61 3.338 2.843 -5.175 1.00 0.00 N ATOM 0 H LYS A 61 4.605 -0.814 0.292 1.00 0.00 H new ATOM 0 HA LYS A 61 5.859 1.474 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.030 0.009 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.950 0.521 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.778 2.745 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.258 2.609 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.135 0.862 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.646 1.117 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.270 2.701 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.218 3.729 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.188 3.645 -5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.254 2.952 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.336 1.957 -5.719 1.00 0.00 H new ATOM 991 N ALA A 62 3.779 2.215 1.494 1.00 0.00 N ATOM 992 CA ALA A 62 3.450 3.340 2.419 1.00 0.00 C ATOM 993 C ALA A 62 4.531 3.480 3.497 1.00 0.00 C ATOM 994 O ALA A 62 4.564 4.459 4.220 1.00 0.00 O ATOM 995 CB ALA A 62 2.107 2.964 3.047 1.00 0.00 C ATOM 0 H ALA A 62 3.253 1.355 1.650 1.00 0.00 H new ATOM 0 HA ALA A 62 3.400 4.296 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.798 3.746 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.356 2.857 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.208 2.021 3.584 1.00 0.00 H new ATOM 1001 N ALA A 63 5.424 2.521 3.605 1.00 0.00 N ATOM 1002 CA ALA A 63 6.504 2.621 4.628 1.00 0.00 C ATOM 1003 C ALA A 63 7.426 3.791 4.283 1.00 0.00 C ATOM 1004 O ALA A 63 8.048 4.373 5.151 1.00 0.00 O ATOM 1005 CB ALA A 63 7.264 1.294 4.556 1.00 0.00 C ATOM 0 H ALA A 63 5.447 1.679 3.029 1.00 0.00 H new ATOM 0 HA ALA A 63 6.112 2.797 5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.075 1.299 5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.583 0.472 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.676 1.165 3.555 1.00 0.00 H new ATOM 1011 N LYS A 64 7.501 4.157 3.024 1.00 0.00 N ATOM 1012 CA LYS A 64 8.363 5.309 2.624 1.00 0.00 C ATOM 1013 C LYS A 64 7.619 6.614 2.936 1.00 0.00 C ATOM 1014 O LYS A 64 8.048 7.408 3.749 1.00 0.00 O ATOM 1015 CB LYS A 64 8.565 5.125 1.115 1.00 0.00 C ATOM 1016 CG LYS A 64 9.181 6.384 0.485 1.00 0.00 C ATOM 1017 CD LYS A 64 10.428 6.005 -0.317 1.00 0.00 C ATOM 1018 CE LYS A 64 10.019 5.162 -1.528 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.229 5.119 -2.394 1.00 0.00 N ATOM 0 H LYS A 64 7.001 3.705 2.258 1.00 0.00 H new ATOM 0 HA LYS A 64 9.317 5.351 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.214 4.268 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.608 4.907 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.453 6.870 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.442 7.101 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.949 6.904 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.122 5.446 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.714 4.160 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.174 5.608 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.026 4.558 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.492 6.086 -2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.015 4.683 -1.871 1.00 0.00 H new ATOM 1033 N LEU A 65 6.516 6.838 2.262 1.00 0.00 N ATOM 1034 CA LEU A 65 5.706 8.091 2.456 1.00 0.00 C ATOM 1035 C LEU A 65 5.559 8.509 3.934 1.00 0.00 C ATOM 1036 O LEU A 65 5.295 9.665 4.215 1.00 0.00 O ATOM 1037 CB LEU A 65 4.333 7.762 1.867 1.00 0.00 C ATOM 1038 CG LEU A 65 4.376 7.930 0.346 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.650 6.578 -0.312 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.031 8.471 -0.146 1.00 0.00 C ATOM 0 H LEU A 65 6.133 6.194 1.571 1.00 0.00 H new ATOM 0 HA LEU A 65 6.200 8.935 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.051 6.741 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.575 8.418 2.295 1.00 0.00 H new ATOM 0 HG LEU A 65 5.170 8.629 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.680 6.700 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.608 6.191 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.858 5.877 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.061 8.591 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.238 7.772 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.835 9.436 0.320 1.00 0.00 H new ATOM 1052 N LYS A 66 5.749 7.615 4.881 1.00 0.00 N ATOM 1053 CA LYS A 66 5.641 8.023 6.316 1.00 0.00 C ATOM 1054 C LYS A 66 6.834 8.913 6.674 1.00 0.00 C ATOM 1055 O LYS A 66 6.730 9.819 7.479 1.00 0.00 O ATOM 1056 CB LYS A 66 5.687 6.720 7.115 1.00 0.00 C ATOM 1057 CG LYS A 66 4.998 6.926 8.465 1.00 0.00 C ATOM 1058 CD LYS A 66 4.936 5.594 9.215 1.00 0.00 C ATOM 1059 CE LYS A 66 4.655 5.854 10.696 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.804 4.526 11.353 1.00 0.00 N ATOM 0 H LYS A 66 5.972 6.632 4.722 1.00 0.00 H new ATOM 0 HA LYS A 66 4.730 8.584 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.192 5.923 6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.721 6.410 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.543 7.663 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.992 7.319 8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.155 4.962 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.878 5.057 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.355 6.580 11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.653 6.257 10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.626 4.622 12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.121 3.858 10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.769 4.170 11.202 1.00 0.00 H new ATOM 1074 N GLU A 67 7.966 8.659 6.066 1.00 0.00 N ATOM 1075 CA GLU A 67 9.181 9.481 6.341 1.00 0.00 C ATOM 1076 C GLU A 67 9.205 10.733 5.449 1.00 0.00 C ATOM 1077 O GLU A 67 10.058 11.587 5.599 1.00 0.00 O ATOM 1078 CB GLU A 67 10.359 8.566 6.005 1.00 0.00 C ATOM 1079 CG GLU A 67 10.646 7.643 7.192 1.00 0.00 C ATOM 1080 CD GLU A 67 11.871 6.780 6.884 1.00 0.00 C ATOM 1081 OE1 GLU A 67 12.927 7.346 6.652 1.00 0.00 O ATOM 1082 OE2 GLU A 67 11.733 5.569 6.884 1.00 0.00 O ATOM 0 H GLU A 67 8.100 7.911 5.386 1.00 0.00 H new ATOM 0 HA GLU A 67 9.210 9.832 7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.132 7.975 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.241 9.162 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.821 8.234 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.782 7.009 7.390 1.00 0.00 H new ATOM 1089 N LYS A 68 8.270 10.857 4.535 1.00 0.00 N ATOM 1090 CA LYS A 68 8.232 12.059 3.651 1.00 0.00 C ATOM 1091 C LYS A 68 7.142 13.007 4.149 1.00 0.00 C ATOM 1092 O LYS A 68 7.298 14.213 4.140 1.00 0.00 O ATOM 1093 CB LYS A 68 7.888 11.524 2.260 1.00 0.00 C ATOM 1094 CG LYS A 68 8.658 12.320 1.203 1.00 0.00 C ATOM 1095 CD LYS A 68 10.112 11.846 1.165 1.00 0.00 C ATOM 1096 CE LYS A 68 10.765 12.305 -0.141 1.00 0.00 C ATOM 1097 NZ LYS A 68 12.207 11.965 0.012 1.00 0.00 N ATOM 0 H LYS A 68 7.532 10.174 4.366 1.00 0.00 H new ATOM 0 HA LYS A 68 9.172 12.610 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.143 10.467 2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.816 11.605 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.196 12.188 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.617 13.385 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.659 12.248 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.154 10.760 1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.328 11.797 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.626 13.375 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.724 12.249 -0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.597 12.468 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.309 10.940 0.153 1.00 0.00 H new ATOM 1111 N TYR A 69 6.046 12.456 4.599 1.00 0.00 N ATOM 1112 CA TYR A 69 4.933 13.298 5.124 1.00 0.00 C ATOM 1113 C TYR A 69 5.304 13.814 6.514 1.00 0.00 C ATOM 1114 O TYR A 69 5.316 15.004 6.762 1.00 0.00 O ATOM 1115 CB TYR A 69 3.725 12.355 5.203 1.00 0.00 C ATOM 1116 CG TYR A 69 2.513 13.102 5.716 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.403 13.415 7.076 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.498 13.475 4.829 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.279 14.103 7.549 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.374 14.164 5.300 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.264 14.478 6.660 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.845 15.155 7.124 1.00 0.00 O ATOM 0 H TYR A 69 5.874 11.451 4.625 1.00 0.00 H new ATOM 0 HA TYR A 69 4.725 14.165 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.515 11.938 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.951 11.517 5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.186 13.125 7.761 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.581 13.231 3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.195 14.344 8.598 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.408 14.453 4.614 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.452 15.340 6.377 1.00 0.00 H new ATOM 1132 N GLU A 70 5.603 12.918 7.418 1.00 0.00 N ATOM 1133 CA GLU A 70 5.971 13.335 8.808 1.00 0.00 C ATOM 1134 C GLU A 70 7.171 14.292 8.802 1.00 0.00 C ATOM 1135 O GLU A 70 7.399 15.012 9.757 1.00 0.00 O ATOM 1136 CB GLU A 70 6.334 12.038 9.534 1.00 0.00 C ATOM 1137 CG GLU A 70 5.075 11.193 9.732 1.00 0.00 C ATOM 1138 CD GLU A 70 5.260 10.276 10.943 1.00 0.00 C ATOM 1139 OE1 GLU A 70 5.400 10.794 12.038 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.261 9.071 10.754 1.00 0.00 O ATOM 0 H GLU A 70 5.609 11.911 7.255 1.00 0.00 H new ATOM 0 HA GLU A 70 5.152 13.867 9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.072 11.480 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.788 12.264 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.210 11.839 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.879 10.599 8.839 1.00 0.00 H new ATOM 1147 N LYS A 71 7.945 14.301 7.744 1.00 0.00 N ATOM 1148 CA LYS A 71 9.136 15.204 7.691 1.00 0.00 C ATOM 1149 C LYS A 71 8.827 16.478 6.895 1.00 0.00 C ATOM 1150 O LYS A 71 9.476 17.493 7.068 1.00 0.00 O ATOM 1151 CB LYS A 71 10.217 14.387 6.982 1.00 0.00 C ATOM 1152 CG LYS A 71 11.034 13.612 8.018 1.00 0.00 C ATOM 1153 CD LYS A 71 12.380 13.214 7.409 1.00 0.00 C ATOM 1154 CE LYS A 71 12.919 11.973 8.126 1.00 0.00 C ATOM 1155 NZ LYS A 71 14.250 11.721 7.507 1.00 0.00 N ATOM 0 H LYS A 71 7.803 13.723 6.916 1.00 0.00 H new ATOM 0 HA LYS A 71 9.442 15.527 8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.760 13.696 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.869 15.046 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.191 14.225 8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.489 12.723 8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.263 13.010 6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.090 14.036 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.008 12.144 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.254 11.120 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.684 10.884 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.133 11.555 6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.864 12.547 7.655 1.00 0.00 H new ATOM 1169 N ASP A 72 7.857 16.429 6.016 1.00 0.00 N ATOM 1170 CA ASP A 72 7.524 17.637 5.199 1.00 0.00 C ATOM 1171 C ASP A 72 6.258 18.325 5.721 1.00 0.00 C ATOM 1172 O ASP A 72 6.114 19.529 5.615 1.00 0.00 O ATOM 1173 CB ASP A 72 7.297 17.105 3.785 1.00 0.00 C ATOM 1174 CG ASP A 72 7.208 18.277 2.806 1.00 0.00 C ATOM 1175 OD1 ASP A 72 8.245 18.700 2.324 1.00 0.00 O ATOM 1176 OD2 ASP A 72 6.104 18.730 2.554 1.00 0.00 O ATOM 0 H ASP A 72 7.283 15.607 5.829 1.00 0.00 H new ATOM 0 HA ASP A 72 8.318 18.383 5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.113 16.441 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.380 16.517 3.749 1.00 0.00 H new ATOM 1181 N ILE A 73 5.338 17.573 6.272 1.00 0.00 N ATOM 1182 CA ILE A 73 4.076 18.191 6.787 1.00 0.00 C ATOM 1183 C ILE A 73 4.372 19.095 7.996 1.00 0.00 C ATOM 1184 O ILE A 73 3.722 20.103 8.201 1.00 0.00 O ATOM 1185 CB ILE A 73 3.165 17.003 7.157 1.00 0.00 C ATOM 1186 CG1 ILE A 73 1.729 17.503 7.324 1.00 0.00 C ATOM 1187 CG2 ILE A 73 3.627 16.332 8.459 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.005 17.424 5.978 1.00 0.00 C ATOM 0 H ILE A 73 5.405 16.562 6.388 1.00 0.00 H new ATOM 0 HA ILE A 73 3.595 18.835 6.050 1.00 0.00 H new ATOM 0 HB ILE A 73 3.218 16.265 6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.206 16.900 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.730 18.530 7.690 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.965 15.498 8.693 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.646 15.963 8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.599 17.057 9.272 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.019 17.780 6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.524 18.045 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.993 16.391 5.631 1.00 0.00 H new