USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 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 Single : A 12 MET CE :methyl -136:sc= 0 (180deg=-0.918) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.49! F(o=-2,f=-1.5!) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.218 F(o=-2.5,f=-0.22) USER MOD Single : A 25 GLN : amide:sc= -0.691 X(o=-0.69,f=-0.75) USER MOD Single : A 30 ASN : amide:sc= 0.146 X(o=0.15,f=-0.025) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 170: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 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -27:sc= 0.276 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.056) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -0.974 0.167 -7.148 1.00 0.00 N ATOM 130 CA PRO A 11 -0.854 1.168 -6.084 1.00 0.00 C ATOM 131 C PRO A 11 -1.036 2.590 -6.604 1.00 0.00 C ATOM 132 O PRO A 11 -0.903 2.845 -7.801 1.00 0.00 O ATOM 133 CB PRO A 11 0.572 0.966 -5.566 1.00 0.00 C ATOM 134 CG PRO A 11 1.312 0.372 -6.715 1.00 0.00 C ATOM 135 CD PRO A 11 0.315 -0.475 -7.456 1.00 0.00 C ATOM 0 HA PRO A 11 -1.621 1.045 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.017 1.911 -5.254 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.589 0.304 -4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.720 1.150 -7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.153 -0.228 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.513 -0.484 -8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.339 -1.511 -7.119 1.00 0.00 H new ATOM 143 N MET A 12 -1.339 3.513 -5.697 1.00 0.00 N ATOM 144 CA MET A 12 -1.537 4.910 -6.065 1.00 0.00 C ATOM 145 C MET A 12 -0.200 5.598 -6.325 1.00 0.00 C ATOM 146 O MET A 12 0.724 5.504 -5.518 1.00 0.00 O ATOM 147 CB MET A 12 -2.297 5.648 -4.961 1.00 0.00 C ATOM 148 CG MET A 12 -3.808 5.571 -5.109 1.00 0.00 C ATOM 149 SD MET A 12 -4.678 6.028 -3.597 1.00 0.00 S ATOM 150 CE MET A 12 -4.555 7.814 -3.663 1.00 0.00 C ATOM 0 H MET A 12 -1.453 3.319 -4.702 1.00 0.00 H new ATOM 0 HA MET A 12 -2.125 4.938 -6.982 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.013 5.232 -3.995 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.993 6.695 -4.959 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.124 6.229 -5.918 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.090 4.557 -5.394 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.288 8.197 -2.678 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.788 8.100 -4.383 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.514 8.234 -3.968 1.00 0.00 H new ATOM 160 N SER A 13 -0.106 6.290 -7.456 1.00 0.00 N ATOM 161 CA SER A 13 1.119 6.990 -7.824 1.00 0.00 C ATOM 162 C SER A 13 1.152 8.386 -7.209 1.00 0.00 C ATOM 163 O SER A 13 0.116 8.941 -6.846 1.00 0.00 O ATOM 164 CB SER A 13 1.238 7.088 -9.346 1.00 0.00 C ATOM 165 OG SER A 13 1.659 5.856 -9.905 1.00 0.00 O ATOM 0 H SER A 13 -0.863 6.381 -8.133 1.00 0.00 H new ATOM 0 HA SER A 13 1.964 6.421 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.276 7.374 -9.771 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.948 7.872 -9.609 1.00 0.00 H new ATOM 0 HG SER A 13 1.726 5.944 -10.879 1.00 0.00 H new ATOM 171 N ALA A 14 2.351 8.947 -7.095 1.00 0.00 N ATOM 172 CA ALA A 14 2.521 10.278 -6.526 1.00 0.00 C ATOM 173 C ALA A 14 1.594 11.285 -7.198 1.00 0.00 C ATOM 174 O ALA A 14 1.239 12.306 -6.610 1.00 0.00 O ATOM 175 CB ALA A 14 3.970 10.725 -6.652 1.00 0.00 C ATOM 0 H ALA A 14 3.219 8.500 -7.389 1.00 0.00 H new ATOM 0 HA ALA A 14 2.258 10.231 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.082 11.721 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.614 10.026 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.253 10.749 -7.704 1.00 0.00 H new ATOM 181 N SER A 15 1.207 10.991 -8.435 1.00 0.00 N ATOM 182 CA SER A 15 0.324 11.873 -9.190 1.00 0.00 C ATOM 183 C SER A 15 -1.057 11.942 -8.545 1.00 0.00 C ATOM 184 O SER A 15 -1.705 12.988 -8.550 1.00 0.00 O ATOM 185 CB SER A 15 0.201 11.390 -10.636 1.00 0.00 C ATOM 186 OG SER A 15 -0.761 10.356 -10.748 1.00 0.00 O ATOM 0 H SER A 15 1.491 10.149 -8.936 1.00 0.00 H new ATOM 0 HA SER A 15 0.758 12.873 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.081 12.224 -11.279 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.169 11.030 -10.986 1.00 0.00 H new ATOM 0 HG SER A 15 -0.822 10.066 -11.682 1.00 0.00 H new ATOM 192 N ALA A 16 -1.500 10.819 -7.990 1.00 0.00 N ATOM 193 CA ALA A 16 -2.802 10.751 -7.339 1.00 0.00 C ATOM 194 C ALA A 16 -2.755 11.378 -5.950 1.00 0.00 C ATOM 195 O ALA A 16 -3.613 12.187 -5.594 1.00 0.00 O ATOM 196 CB ALA A 16 -3.274 9.307 -7.253 1.00 0.00 C ATOM 0 H ALA A 16 -0.976 9.944 -7.978 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.512 11.319 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.248 9.271 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.356 8.891 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.557 8.724 -6.676 1.00 0.00 H new ATOM 202 N LEU A 17 -1.750 10.999 -5.169 1.00 0.00 N ATOM 203 CA LEU A 17 -1.591 11.525 -3.817 1.00 0.00 C ATOM 204 C LEU A 17 -1.767 13.040 -3.798 1.00 0.00 C ATOM 205 O LEU A 17 -2.740 13.555 -3.248 1.00 0.00 O ATOM 206 CB LEU A 17 -0.215 11.152 -3.263 1.00 0.00 C ATOM 207 CG LEU A 17 -0.102 9.769 -2.620 1.00 0.00 C ATOM 208 CD1 LEU A 17 -0.621 8.697 -3.566 1.00 0.00 C ATOM 209 CD2 LEU A 17 1.338 9.481 -2.223 1.00 0.00 C ATOM 0 H LEU A 17 -1.033 10.330 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.362 11.081 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.510 11.213 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.071 11.899 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.715 9.757 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.533 7.720 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.667 8.894 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.035 8.708 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.399 8.493 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.973 9.512 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.675 10.232 -1.508 1.00 0.00 H new ATOM 221 N PHE A 18 -0.819 13.748 -4.403 1.00 0.00 N ATOM 222 CA PHE A 18 -0.869 15.204 -4.456 1.00 0.00 C ATOM 223 C PHE A 18 -2.305 15.693 -4.622 1.00 0.00 C ATOM 224 O PHE A 18 -2.702 16.700 -4.035 1.00 0.00 O ATOM 225 CB PHE A 18 -0.006 15.724 -5.608 1.00 0.00 C ATOM 226 CG PHE A 18 -0.093 17.211 -5.799 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.130 17.769 -6.530 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.861 18.051 -5.249 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.214 19.137 -6.708 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.782 19.420 -5.422 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.255 19.963 -6.154 1.00 0.00 C ATOM 0 H PHE A 18 -0.007 13.337 -4.863 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.478 15.590 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.033 15.449 -5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.309 15.229 -6.531 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.881 17.127 -6.966 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.676 17.631 -4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.028 19.559 -7.279 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.531 20.064 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.317 21.032 -6.293 1.00 0.00 H new ATOM 241 N VAL A 19 -3.081 14.972 -5.426 1.00 0.00 N ATOM 242 CA VAL A 19 -4.473 15.331 -5.669 1.00 0.00 C ATOM 243 C VAL A 19 -5.338 15.031 -4.450 1.00 0.00 C ATOM 244 O VAL A 19 -5.986 15.923 -3.903 1.00 0.00 O ATOM 245 CB VAL A 19 -5.042 14.579 -6.887 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.485 14.987 -7.139 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.184 14.833 -8.117 1.00 0.00 C ATOM 0 H VAL A 19 -2.769 14.136 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.494 16.402 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.024 13.510 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.871 14.446 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.089 14.749 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.532 16.059 -7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.600 14.294 -8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.168 15.901 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.168 14.486 -7.930 1.00 0.00 H new ATOM 257 N GLN A 20 -5.344 13.770 -4.031 1.00 0.00 N ATOM 258 CA GLN A 20 -6.131 13.353 -2.876 1.00 0.00 C ATOM 259 C GLN A 20 -5.694 14.101 -1.621 1.00 0.00 C ATOM 260 O GLN A 20 -6.393 14.092 -0.607 1.00 0.00 O ATOM 261 CB GLN A 20 -5.995 11.845 -2.659 1.00 0.00 C ATOM 262 CG GLN A 20 -6.492 11.379 -1.299 1.00 0.00 C ATOM 263 CD GLN A 20 -5.404 11.393 -0.244 1.00 0.00 C ATOM 264 OE1 GLN A 20 -4.429 10.504 -0.387 1.00 0.00 O flip ATOM 265 NE2 GLN A 20 -5.440 12.194 0.691 1.00 0.00 N flip ATOM 0 H GLN A 20 -4.813 13.020 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.176 13.592 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.550 11.323 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.948 11.563 -2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.313 12.020 -0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.892 10.369 -1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.209 12.861 0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.701 12.191 1.394 1.00 0.00 H new ATOM 274 N ASP A 21 -4.536 14.747 -1.696 1.00 0.00 N ATOM 275 CA ASP A 21 -4.007 15.502 -0.566 1.00 0.00 C ATOM 276 C ASP A 21 -4.621 16.897 -0.509 1.00 0.00 C ATOM 277 O ASP A 21 -4.728 17.496 0.562 1.00 0.00 O ATOM 278 CB ASP A 21 -2.484 15.604 -0.662 1.00 0.00 C ATOM 279 CG ASP A 21 -1.784 14.401 -0.062 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.139 13.262 -0.430 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.879 14.599 0.776 1.00 0.00 O ATOM 0 H ASP A 21 -3.945 14.763 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.271 14.972 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.195 15.705 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.150 16.507 -0.151 1.00 0.00 H new ATOM 286 N HIS A 22 -5.021 17.410 -1.668 1.00 0.00 N ATOM 287 CA HIS A 22 -5.624 18.735 -1.750 1.00 0.00 C ATOM 288 C HIS A 22 -7.074 18.645 -2.216 1.00 0.00 C ATOM 289 O HIS A 22 -7.784 19.650 -2.265 1.00 0.00 O ATOM 290 CB HIS A 22 -4.825 19.624 -2.703 1.00 0.00 C ATOM 291 CG HIS A 22 -3.349 19.602 -2.447 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.640 19.127 -1.396 1.00 0.00 N flip ATOM 293 CD2 HIS A 22 -2.424 20.115 -3.331 1.00 0.00 C flip ATOM 294 CE1 HIS A 22 -1.313 19.357 -1.663 1.00 0.00 C flip ATOM 295 NE2 HIS A 22 -1.209 19.955 -2.836 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.938 16.928 -2.563 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.608 19.176 -0.753 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.012 19.304 -3.728 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.185 20.649 -2.618 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.656 20.576 -4.280 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.488 19.092 -1.018 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.339 20.244 -3.284 1.00 0.00 H new ATOM 304 N ARG A 23 -7.507 17.436 -2.557 1.00 0.00 N ATOM 305 CA ARG A 23 -8.871 17.215 -3.021 1.00 0.00 C ATOM 306 C ARG A 23 -9.882 17.749 -2.010 1.00 0.00 C ATOM 307 O ARG A 23 -10.690 18.628 -2.308 1.00 0.00 O ATOM 308 CB ARG A 23 -9.115 15.725 -3.264 1.00 0.00 C ATOM 309 CG ARG A 23 -10.541 15.285 -2.973 1.00 0.00 C ATOM 310 CD ARG A 23 -10.719 13.791 -3.191 1.00 0.00 C ATOM 311 NE ARG A 23 -10.430 13.023 -1.983 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.244 11.708 -1.974 1.00 0.00 C ATOM 313 NH1 ARG A 23 -10.318 11.018 -3.104 1.00 0.00 N ATOM 314 NH2 ARG A 23 -9.985 11.080 -0.834 1.00 0.00 N ATOM 0 H ARG A 23 -6.932 16.594 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.001 17.755 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.876 15.491 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.432 15.147 -2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.798 15.537 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.230 15.832 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.741 13.591 -3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.062 13.461 -3.996 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.368 13.524 -1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.518 11.497 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.175 10.008 -3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.929 11.607 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.842 10.070 -0.829 1.00 0.00 H new ATOM 328 N PRO A 24 -9.837 17.205 -0.784 1.00 0.00 N ATOM 329 CA PRO A 24 -10.742 17.611 0.296 1.00 0.00 C ATOM 330 C PRO A 24 -10.445 19.018 0.802 1.00 0.00 C ATOM 331 O PRO A 24 -11.357 19.819 1.006 1.00 0.00 O ATOM 332 CB PRO A 24 -10.470 16.578 1.393 1.00 0.00 C ATOM 333 CG PRO A 24 -9.081 16.107 1.134 1.00 0.00 C ATOM 334 CD PRO A 24 -8.900 16.152 -0.359 1.00 0.00 C ATOM 0 HA PRO A 24 -11.781 17.641 -0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.559 17.021 2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.182 15.754 1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.353 16.745 1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.934 15.096 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.873 16.394 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.136 15.194 -0.822 1.00 0.00 H new ATOM 342 N GLN A 25 -9.164 19.311 1.004 1.00 0.00 N ATOM 343 CA GLN A 25 -8.749 20.622 1.487 1.00 0.00 C ATOM 344 C GLN A 25 -9.306 21.731 0.601 1.00 0.00 C ATOM 345 O GLN A 25 -9.585 22.835 1.071 1.00 0.00 O ATOM 346 CB GLN A 25 -7.222 20.711 1.536 1.00 0.00 C ATOM 347 CG GLN A 25 -6.610 20.010 2.738 1.00 0.00 C ATOM 348 CD GLN A 25 -7.356 20.301 4.025 1.00 0.00 C ATOM 349 OE1 GLN A 25 -8.190 19.509 4.465 1.00 0.00 O ATOM 350 NE2 GLN A 25 -7.059 21.441 4.637 1.00 0.00 N ATOM 0 H GLN A 25 -8.397 18.659 0.841 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.147 20.752 2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.812 20.276 0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.928 21.760 1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.603 18.934 2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.571 20.322 2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.361 22.068 4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.529 21.690 5.508 1.00 0.00 H new ATOM 359 N PHE A 26 -9.467 21.431 -0.683 1.00 0.00 N ATOM 360 CA PHE A 26 -9.990 22.403 -1.636 1.00 0.00 C ATOM 361 C PHE A 26 -11.494 22.589 -1.453 1.00 0.00 C ATOM 362 O PHE A 26 -12.033 23.667 -1.705 1.00 0.00 O ATOM 363 CB PHE A 26 -9.690 21.958 -3.069 1.00 0.00 C ATOM 364 CG PHE A 26 -9.668 23.089 -4.056 1.00 0.00 C ATOM 365 CD1 PHE A 26 -10.849 23.595 -4.577 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.467 23.648 -4.464 1.00 0.00 C ATOM 367 CE1 PHE A 26 -10.831 24.635 -5.486 1.00 0.00 C ATOM 368 CE2 PHE A 26 -8.444 24.689 -5.373 1.00 0.00 C ATOM 369 CZ PHE A 26 -9.627 25.184 -5.884 1.00 0.00 C ATOM 0 H PHE A 26 -9.243 20.522 -1.088 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.498 23.358 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.726 21.450 -3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.440 21.230 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.793 23.171 -4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.538 23.266 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.758 25.019 -5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.501 25.115 -5.683 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.612 25.998 -6.593 1.00 0.00 H new ATOM 379 N LEU A 27 -12.165 21.530 -1.014 1.00 0.00 N ATOM 380 CA LEU A 27 -13.607 21.574 -0.798 1.00 0.00 C ATOM 381 C LEU A 27 -13.939 22.266 0.520 1.00 0.00 C ATOM 382 O LEU A 27 -14.634 23.283 0.541 1.00 0.00 O ATOM 383 CB LEU A 27 -14.187 20.159 -0.804 1.00 0.00 C ATOM 384 CG LEU A 27 -14.577 19.599 -2.172 1.00 0.00 C ATOM 385 CD1 LEU A 27 -15.763 20.361 -2.743 1.00 0.00 C ATOM 386 CD2 LEU A 27 -13.394 19.655 -3.128 1.00 0.00 C ATOM 0 H LEU A 27 -11.734 20.631 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.054 22.147 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.457 19.487 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.069 20.147 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.868 18.556 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.026 19.948 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.614 20.269 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.500 21.413 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.690 19.252 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.072 20.689 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.572 19.063 -2.725 1.00 0.00 H new ATOM 398 N ILE A 28 -13.436 21.710 1.618 1.00 0.00 N ATOM 399 CA ILE A 28 -13.677 22.276 2.939 1.00 0.00 C ATOM 400 C ILE A 28 -13.608 23.799 2.906 1.00 0.00 C ATOM 401 O ILE A 28 -14.547 24.481 3.315 1.00 0.00 O ATOM 402 CB ILE A 28 -12.661 21.750 3.970 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.984 20.302 4.344 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.656 22.635 5.208 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.784 19.522 4.834 1.00 0.00 C ATOM 0 H ILE A 28 -12.859 20.869 1.618 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.679 21.967 3.237 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.667 21.777 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.751 20.298 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -13.406 19.796 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.933 22.250 5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.382 23.652 4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.649 22.637 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.087 18.505 5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -11.024 19.495 4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.375 20.004 5.722 1.00 0.00 H new ATOM 417 N GLU A 29 -12.491 24.325 2.413 1.00 0.00 N ATOM 418 CA GLU A 29 -12.300 25.768 2.325 1.00 0.00 C ATOM 419 C GLU A 29 -13.126 26.357 1.185 1.00 0.00 C ATOM 420 O GLU A 29 -13.604 27.488 1.271 1.00 0.00 O ATOM 421 CB GLU A 29 -10.820 26.099 2.122 1.00 0.00 C ATOM 422 CG GLU A 29 -9.933 25.652 3.272 1.00 0.00 C ATOM 423 CD GLU A 29 -8.479 25.509 2.866 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.773 26.538 2.821 1.00 0.00 O ATOM 425 OE2 GLU A 29 -8.048 24.370 2.592 1.00 0.00 O ATOM 0 H GLU A 29 -11.705 23.774 2.069 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.637 26.211 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.474 25.627 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.712 27.175 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.010 26.372 4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.295 24.698 3.655 1.00 0.00 H new ATOM 432 N ASN A 30 -13.288 25.582 0.118 1.00 0.00 N ATOM 433 CA ASN A 30 -14.054 26.027 -1.041 1.00 0.00 C ATOM 434 C ASN A 30 -15.095 24.984 -1.437 1.00 0.00 C ATOM 435 O ASN A 30 -14.897 24.193 -2.360 1.00 0.00 O ATOM 436 CB ASN A 30 -13.119 26.305 -2.220 1.00 0.00 C ATOM 437 CG ASN A 30 -11.784 26.871 -1.778 1.00 0.00 C ATOM 438 OD1 ASN A 30 -11.714 27.970 -1.228 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.715 26.121 -2.018 1.00 0.00 N ATOM 0 H ASN A 30 -12.899 24.643 0.031 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.572 26.948 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.953 25.381 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.599 27.005 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.789 26.450 -1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.820 25.216 -2.477 1.00 0.00 H new ATOM 446 N PRO A 31 -16.231 24.982 -0.725 1.00 0.00 N ATOM 447 CA PRO A 31 -17.326 24.043 -0.985 1.00 0.00 C ATOM 448 C PRO A 31 -18.038 24.332 -2.302 1.00 0.00 C ATOM 449 O PRO A 31 -18.308 23.422 -3.086 1.00 0.00 O ATOM 450 CB PRO A 31 -18.274 24.268 0.196 1.00 0.00 C ATOM 451 CG PRO A 31 -17.998 25.662 0.642 1.00 0.00 C ATOM 452 CD PRO A 31 -16.535 25.896 0.389 1.00 0.00 C ATOM 0 HA PRO A 31 -16.970 23.017 -1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.315 24.147 -0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -18.087 23.552 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.609 26.376 0.090 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.236 25.788 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.334 26.934 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.934 25.670 1.270 1.00 0.00 H new ATOM 460 N LYS A 32 -18.338 25.604 -2.540 1.00 0.00 N ATOM 461 CA LYS A 32 -19.016 26.015 -3.764 1.00 0.00 C ATOM 462 C LYS A 32 -18.429 25.301 -4.977 1.00 0.00 C ATOM 463 O LYS A 32 -19.126 25.051 -5.961 1.00 0.00 O ATOM 464 CB LYS A 32 -18.907 27.530 -3.948 1.00 0.00 C ATOM 465 CG LYS A 32 -19.226 27.996 -5.358 1.00 0.00 C ATOM 466 CD LYS A 32 -17.982 28.026 -6.230 1.00 0.00 C ATOM 467 CE LYS A 32 -18.338 28.133 -7.705 1.00 0.00 C ATOM 468 NZ LYS A 32 -17.266 27.574 -8.576 1.00 0.00 N ATOM 0 H LYS A 32 -18.122 26.369 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.067 25.741 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -19.584 28.022 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.897 27.847 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -19.967 27.332 -5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.670 28.991 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.356 28.871 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -17.396 27.123 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.272 27.603 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.507 29.178 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.546 27.665 -9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.381 28.096 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.122 26.570 -8.348 1.00 0.00 H new ATOM 482 N THR A 33 -17.143 24.973 -4.900 1.00 0.00 N ATOM 483 CA THR A 33 -16.463 24.287 -5.992 1.00 0.00 C ATOM 484 C THR A 33 -16.926 22.839 -6.105 1.00 0.00 C ATOM 485 O THR A 33 -16.807 22.063 -5.156 1.00 0.00 O ATOM 486 CB THR A 33 -14.934 24.312 -5.805 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.502 25.640 -5.486 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.227 23.832 -7.063 1.00 0.00 C ATOM 0 H THR A 33 -16.552 25.171 -4.093 1.00 0.00 H new ATOM 0 HA THR A 33 -16.719 24.820 -6.908 1.00 0.00 H new ATOM 0 HB THR A 33 -14.679 23.640 -4.986 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.561 25.621 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.149 23.859 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.536 22.811 -7.287 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.489 24.482 -7.898 1.00 0.00 H new ATOM 496 N SER A 34 -17.454 22.480 -7.271 1.00 0.00 N ATOM 497 CA SER A 34 -17.937 21.125 -7.507 1.00 0.00 C ATOM 498 C SER A 34 -16.799 20.115 -7.395 1.00 0.00 C ATOM 499 O SER A 34 -15.626 20.466 -7.533 1.00 0.00 O ATOM 500 CB SER A 34 -18.589 21.026 -8.887 1.00 0.00 C ATOM 501 OG SER A 34 -19.797 21.765 -8.935 1.00 0.00 O ATOM 0 H SER A 34 -17.558 23.109 -8.067 1.00 0.00 H new ATOM 0 HA SER A 34 -18.681 20.893 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.901 21.399 -9.645 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.789 19.981 -9.124 1.00 0.00 H new ATOM 0 HG SER A 34 -20.193 21.687 -9.828 1.00 0.00 H new ATOM 507 N LEU A 35 -17.153 18.860 -7.145 1.00 0.00 N ATOM 508 CA LEU A 35 -16.163 17.796 -7.015 1.00 0.00 C ATOM 509 C LEU A 35 -15.145 17.859 -8.149 1.00 0.00 C ATOM 510 O LEU A 35 -13.954 18.062 -7.915 1.00 0.00 O ATOM 511 CB LEU A 35 -16.850 16.430 -7.007 1.00 0.00 C ATOM 512 CG LEU A 35 -15.950 15.228 -6.720 1.00 0.00 C ATOM 513 CD1 LEU A 35 -15.503 15.230 -5.267 1.00 0.00 C ATOM 514 CD2 LEU A 35 -16.671 13.930 -7.057 1.00 0.00 C ATOM 0 H LEU A 35 -18.119 18.553 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.637 17.936 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.645 16.450 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.326 16.279 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.064 15.303 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.863 14.367 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.948 16.145 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.377 15.180 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.016 13.085 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.574 13.848 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.940 13.927 -8.113 1.00 0.00 H new ATOM 526 N GLU A 36 -15.623 17.686 -9.377 1.00 0.00 N ATOM 527 CA GLU A 36 -14.754 17.724 -10.547 1.00 0.00 C ATOM 528 C GLU A 36 -13.939 19.014 -10.577 1.00 0.00 C ATOM 529 O GLU A 36 -12.715 18.991 -10.445 1.00 0.00 O ATOM 530 CB GLU A 36 -15.580 17.600 -11.829 1.00 0.00 C ATOM 531 CG GLU A 36 -15.986 16.173 -12.155 1.00 0.00 C ATOM 532 CD GLU A 36 -16.541 15.434 -10.953 1.00 0.00 C ATOM 533 OE1 GLU A 36 -17.333 16.039 -10.200 1.00 0.00 O ATOM 534 OE2 GLU A 36 -16.184 14.253 -10.765 1.00 0.00 O ATOM 0 H GLU A 36 -16.607 17.518 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.066 16.881 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.477 18.211 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.005 18.005 -12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.735 16.184 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.122 15.633 -12.541 1.00 0.00 H new ATOM 541 N ASP A 37 -14.627 20.137 -10.753 1.00 0.00 N ATOM 542 CA ASP A 37 -13.968 21.437 -10.801 1.00 0.00 C ATOM 543 C ASP A 37 -12.797 21.489 -9.825 1.00 0.00 C ATOM 544 O ASP A 37 -11.702 21.928 -10.177 1.00 0.00 O ATOM 545 CB ASP A 37 -14.966 22.550 -10.478 1.00 0.00 C ATOM 546 CG ASP A 37 -14.392 23.932 -10.723 1.00 0.00 C ATOM 547 OD1 ASP A 37 -13.187 24.026 -11.036 1.00 0.00 O ATOM 548 OD2 ASP A 37 -15.148 24.919 -10.601 1.00 0.00 O ATOM 0 H ASP A 37 -15.640 20.173 -10.865 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.584 21.585 -11.810 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.861 22.419 -11.086 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.273 22.467 -9.436 1.00 0.00 H new ATOM 553 N ALA A 38 -13.035 21.039 -8.598 1.00 0.00 N ATOM 554 CA ALA A 38 -12.000 21.033 -7.571 1.00 0.00 C ATOM 555 C ALA A 38 -10.763 20.277 -8.044 1.00 0.00 C ATOM 556 O ALA A 38 -9.639 20.768 -7.926 1.00 0.00 O ATOM 557 CB ALA A 38 -12.535 20.422 -6.285 1.00 0.00 C ATOM 0 H ALA A 38 -13.936 20.673 -8.290 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.711 22.066 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.751 20.424 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.384 21.006 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.854 19.397 -6.474 1.00 0.00 H new ATOM 563 N THR A 39 -10.975 19.079 -8.579 1.00 0.00 N ATOM 564 CA THR A 39 -9.877 18.255 -9.068 1.00 0.00 C ATOM 565 C THR A 39 -9.295 18.822 -10.358 1.00 0.00 C ATOM 566 O THR A 39 -8.095 19.083 -10.447 1.00 0.00 O ATOM 567 CB THR A 39 -10.332 16.804 -9.317 1.00 0.00 C ATOM 568 OG1 THR A 39 -10.922 16.264 -8.130 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.159 15.936 -9.746 1.00 0.00 C ATOM 0 H THR A 39 -11.898 18.658 -8.685 1.00 0.00 H new ATOM 0 HA THR A 39 -9.109 18.260 -8.294 1.00 0.00 H new ATOM 0 HB THR A 39 -11.071 16.811 -10.118 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.210 15.342 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.504 14.916 -9.916 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.731 16.332 -10.667 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.401 15.937 -8.963 1.00 0.00 H new ATOM 577 N LEU A 40 -10.153 19.011 -11.354 1.00 0.00 N ATOM 578 CA LEU A 40 -9.723 19.549 -12.641 1.00 0.00 C ATOM 579 C LEU A 40 -8.659 20.625 -12.453 1.00 0.00 C ATOM 580 O LEU A 40 -7.752 20.763 -13.274 1.00 0.00 O ATOM 581 CB LEU A 40 -10.920 20.126 -13.399 1.00 0.00 C ATOM 582 CG LEU A 40 -11.696 19.143 -14.277 1.00 0.00 C ATOM 583 CD1 LEU A 40 -12.963 19.792 -14.813 1.00 0.00 C ATOM 584 CD2 LEU A 40 -10.824 18.646 -15.421 1.00 0.00 C ATOM 0 H LEU A 40 -11.149 18.800 -11.296 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.290 18.734 -13.222 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.610 20.557 -12.674 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.567 20.943 -14.028 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.981 18.287 -13.666 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.502 19.078 -15.435 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.596 20.097 -13.980 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.700 20.666 -15.408 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.393 17.948 -16.035 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.508 19.492 -16.032 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.946 18.142 -15.017 1.00 0.00 H new ATOM 596 N GLN A 41 -8.775 21.382 -11.367 1.00 0.00 N ATOM 597 CA GLN A 41 -7.821 22.444 -11.071 1.00 0.00 C ATOM 598 C GLN A 41 -6.574 21.884 -10.395 1.00 0.00 C ATOM 599 O GLN A 41 -5.456 22.314 -10.679 1.00 0.00 O ATOM 600 CB GLN A 41 -8.467 23.505 -10.178 1.00 0.00 C ATOM 601 CG GLN A 41 -9.218 24.576 -10.952 1.00 0.00 C ATOM 602 CD GLN A 41 -9.725 25.692 -10.060 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.104 26.750 -9.956 1.00 0.00 O ATOM 604 NE2 GLN A 41 -10.860 25.463 -9.410 1.00 0.00 N ATOM 0 H GLN A 41 -9.520 21.280 -10.678 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.525 22.904 -12.014 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.155 23.017 -9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.694 23.980 -9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.562 24.995 -11.715 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.061 24.120 -11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.343 24.572 -9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.249 26.178 -8.796 1.00 0.00 H new ATOM 613 N ILE A 42 -6.774 20.923 -9.500 1.00 0.00 N ATOM 614 CA ILE A 42 -5.666 20.303 -8.784 1.00 0.00 C ATOM 615 C ILE A 42 -4.765 19.522 -9.735 1.00 0.00 C ATOM 616 O ILE A 42 -3.555 19.433 -9.526 1.00 0.00 O ATOM 617 CB ILE A 42 -6.169 19.356 -7.678 1.00 0.00 C ATOM 618 CG1 ILE A 42 -6.889 20.150 -6.586 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.009 18.567 -7.089 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.863 19.320 -5.780 1.00 0.00 C ATOM 0 H ILE A 42 -7.693 20.557 -9.253 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.095 21.111 -8.327 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.877 18.652 -8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.148 20.582 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.425 20.981 -7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.380 17.902 -6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.535 17.977 -7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.280 19.256 -6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.337 19.947 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.626 18.910 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.329 18.504 -5.292 1.00 0.00 H new ATOM 632 N GLU A 43 -5.363 18.960 -10.781 1.00 0.00 N ATOM 633 CA GLU A 43 -4.614 18.188 -11.765 1.00 0.00 C ATOM 634 C GLU A 43 -3.671 19.087 -12.559 1.00 0.00 C ATOM 635 O GLU A 43 -2.465 18.848 -12.609 1.00 0.00 O ATOM 636 CB GLU A 43 -5.571 17.467 -12.716 1.00 0.00 C ATOM 637 CG GLU A 43 -6.161 16.193 -12.136 1.00 0.00 C ATOM 638 CD GLU A 43 -7.174 15.545 -13.060 1.00 0.00 C ATOM 639 OE1 GLU A 43 -8.318 16.042 -13.128 1.00 0.00 O ATOM 640 OE2 GLU A 43 -6.823 14.542 -13.716 1.00 0.00 O ATOM 0 H GLU A 43 -6.364 19.025 -10.968 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.018 17.448 -11.231 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.382 18.144 -12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.041 17.225 -13.637 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.357 15.486 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.638 16.419 -11.182 1.00 0.00 H new ATOM 647 N GLU A 44 -4.231 20.122 -13.178 1.00 0.00 N ATOM 648 CA GLU A 44 -3.440 21.056 -13.971 1.00 0.00 C ATOM 649 C GLU A 44 -2.421 21.783 -13.099 1.00 0.00 C ATOM 650 O GLU A 44 -1.434 22.324 -13.598 1.00 0.00 O ATOM 651 CB GLU A 44 -4.353 22.071 -14.663 1.00 0.00 C ATOM 652 CG GLU A 44 -5.114 22.963 -13.697 1.00 0.00 C ATOM 653 CD GLU A 44 -5.581 24.255 -14.340 1.00 0.00 C ATOM 654 OE1 GLU A 44 -4.946 24.692 -15.322 1.00 0.00 O ATOM 655 OE2 GLU A 44 -6.581 24.828 -13.859 1.00 0.00 O ATOM 0 H GLU A 44 -5.228 20.335 -13.146 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.902 20.486 -14.728 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.752 22.695 -15.325 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.067 21.537 -15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.977 22.421 -13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.476 23.196 -12.844 1.00 0.00 H new ATOM 662 N LEU A 45 -2.668 21.792 -11.793 1.00 0.00 N ATOM 663 CA LEU A 45 -1.773 22.453 -10.850 1.00 0.00 C ATOM 664 C LEU A 45 -0.571 21.571 -10.531 1.00 0.00 C ATOM 665 O LEU A 45 0.440 22.046 -10.012 1.00 0.00 O ATOM 666 CB LEU A 45 -2.523 22.799 -9.562 1.00 0.00 C ATOM 667 CG LEU A 45 -1.675 22.876 -8.292 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.806 24.124 -8.305 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.562 22.854 -7.056 1.00 0.00 C ATOM 0 H LEU A 45 -3.480 21.349 -11.364 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.413 23.372 -11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.020 23.759 -9.702 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.304 22.054 -9.409 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.022 22.004 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.210 24.162 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.144 24.098 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.440 25.009 -8.360 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.941 22.910 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.241 23.706 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.140 21.930 -7.040 1.00 0.00 H new ATOM 681 N TRP A 46 -0.687 20.286 -10.845 1.00 0.00 N ATOM 682 CA TRP A 46 0.392 19.337 -10.594 1.00 0.00 C ATOM 683 C TRP A 46 1.283 19.188 -11.822 1.00 0.00 C ATOM 684 O TRP A 46 2.439 18.777 -11.716 1.00 0.00 O ATOM 685 CB TRP A 46 -0.180 17.976 -10.195 1.00 0.00 C ATOM 686 CG TRP A 46 0.821 16.863 -10.277 1.00 0.00 C ATOM 687 CD1 TRP A 46 1.003 16.000 -11.319 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.775 16.494 -9.276 1.00 0.00 C ATOM 689 NE1 TRP A 46 2.013 15.116 -11.026 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.504 15.399 -9.779 1.00 0.00 C ATOM 691 CE3 TRP A 46 2.087 16.984 -8.005 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.522 14.786 -9.053 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.097 16.374 -7.286 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.806 15.286 -7.811 1.00 0.00 C ATOM 0 H TRP A 46 -1.517 19.877 -11.274 1.00 0.00 H new ATOM 0 HA TRP A 46 0.998 19.723 -9.774 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.563 18.036 -9.176 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.026 17.742 -10.841 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.436 16.011 -12.238 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.344 14.370 -11.638 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.548 17.824 -7.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.068 13.946 -9.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.344 16.743 -6.301 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.592 14.833 -7.225 1.00 0.00 H new ATOM 705 N LYS A 47 0.740 19.524 -12.986 1.00 0.00 N ATOM 706 CA LYS A 47 1.486 19.430 -14.235 1.00 0.00 C ATOM 707 C LYS A 47 2.379 20.651 -14.430 1.00 0.00 C ATOM 708 O LYS A 47 3.351 20.608 -15.185 1.00 0.00 O ATOM 709 CB LYS A 47 0.524 19.294 -15.418 1.00 0.00 C ATOM 710 CG LYS A 47 -0.280 18.006 -15.404 1.00 0.00 C ATOM 711 CD LYS A 47 -1.452 18.070 -16.369 1.00 0.00 C ATOM 712 CE LYS A 47 -2.603 17.190 -15.907 1.00 0.00 C ATOM 713 NZ LYS A 47 -3.907 17.642 -16.467 1.00 0.00 N ATOM 0 H LYS A 47 -0.216 19.865 -13.091 1.00 0.00 H new ATOM 0 HA LYS A 47 2.119 18.544 -14.185 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.162 20.141 -15.416 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.093 19.347 -16.346 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.366 17.170 -15.670 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.648 17.816 -14.396 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.794 19.101 -16.459 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.126 17.754 -17.360 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.416 16.159 -16.209 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.653 17.199 -14.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.666 17.016 -16.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.098 18.617 -16.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.869 17.609 -17.506 1.00 0.00 H new ATOM 727 N THR A 48 2.045 21.738 -13.742 1.00 0.00 N ATOM 728 CA THR A 48 2.816 22.971 -13.839 1.00 0.00 C ATOM 729 C THR A 48 3.938 23.000 -12.808 1.00 0.00 C ATOM 730 O THR A 48 4.809 23.870 -12.846 1.00 0.00 O ATOM 731 CB THR A 48 1.923 24.210 -13.643 1.00 0.00 C ATOM 732 OG1 THR A 48 2.693 25.403 -13.826 1.00 0.00 O ATOM 733 CG2 THR A 48 1.296 24.212 -12.257 1.00 0.00 C ATOM 0 H THR A 48 1.245 21.789 -13.111 1.00 0.00 H new ATOM 0 HA THR A 48 3.245 22.997 -14.841 1.00 0.00 H new ATOM 0 HB THR A 48 1.125 24.176 -14.385 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.632 25.222 -13.613 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.670 25.097 -12.142 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.686 23.317 -12.132 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.082 24.224 -11.502 1.00 0.00 H new ATOM 741 N LEU A 49 3.913 22.043 -11.886 1.00 0.00 N ATOM 742 CA LEU A 49 4.929 21.958 -10.843 1.00 0.00 C ATOM 743 C LEU A 49 6.302 21.670 -11.443 1.00 0.00 C ATOM 744 O LEU A 49 6.417 21.329 -12.620 1.00 0.00 O ATOM 745 CB LEU A 49 4.563 20.869 -9.834 1.00 0.00 C ATOM 746 CG LEU A 49 3.490 21.237 -8.809 1.00 0.00 C ATOM 747 CD1 LEU A 49 3.152 20.039 -7.935 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.949 22.410 -7.955 1.00 0.00 C ATOM 0 H LEU A 49 3.200 21.315 -11.840 1.00 0.00 H new ATOM 0 HA LEU A 49 4.970 22.920 -10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.225 19.991 -10.384 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.467 20.581 -9.297 1.00 0.00 H new ATOM 0 HG LEU A 49 2.589 21.534 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.387 20.321 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.780 19.227 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.047 19.710 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.173 22.659 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.864 22.140 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.139 23.273 -8.594 1.00 0.00 H new ATOM 760 N SER A 50 7.340 21.809 -10.625 1.00 0.00 N ATOM 761 CA SER A 50 8.706 21.565 -11.075 1.00 0.00 C ATOM 762 C SER A 50 9.103 20.110 -10.844 1.00 0.00 C ATOM 763 O SER A 50 8.325 19.322 -10.307 1.00 0.00 O ATOM 764 CB SER A 50 9.679 22.493 -10.345 1.00 0.00 C ATOM 765 OG SER A 50 9.382 23.853 -10.608 1.00 0.00 O ATOM 0 H SER A 50 7.262 22.089 -9.647 1.00 0.00 H new ATOM 0 HA SER A 50 8.752 21.770 -12.145 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.628 22.307 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.700 22.273 -10.658 1.00 0.00 H new ATOM 0 HG SER A 50 10.017 24.425 -10.129 1.00 0.00 H new ATOM 771 N GLU A 51 10.318 19.762 -11.255 1.00 0.00 N ATOM 772 CA GLU A 51 10.818 18.402 -11.094 1.00 0.00 C ATOM 773 C GLU A 51 10.959 18.045 -9.617 1.00 0.00 C ATOM 774 O GLU A 51 10.278 17.151 -9.117 1.00 0.00 O ATOM 775 CB GLU A 51 12.167 18.244 -11.799 1.00 0.00 C ATOM 776 CG GLU A 51 12.459 16.820 -12.242 1.00 0.00 C ATOM 777 CD GLU A 51 11.407 16.278 -13.191 1.00 0.00 C ATOM 778 OE1 GLU A 51 11.252 16.845 -14.293 1.00 0.00 O ATOM 779 OE2 GLU A 51 10.740 15.285 -12.831 1.00 0.00 O ATOM 0 H GLU A 51 10.974 20.403 -11.702 1.00 0.00 H new ATOM 0 HA GLU A 51 10.097 17.722 -11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.191 18.899 -12.670 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.959 18.577 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.434 16.787 -12.729 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.519 16.175 -11.365 1.00 0.00 H new ATOM 786 N GLU A 52 11.848 18.752 -8.926 1.00 0.00 N ATOM 787 CA GLU A 52 12.079 18.509 -7.507 1.00 0.00 C ATOM 788 C GLU A 52 10.758 18.412 -6.749 1.00 0.00 C ATOM 789 O GLU A 52 10.475 17.404 -6.103 1.00 0.00 O ATOM 790 CB GLU A 52 12.942 19.622 -6.909 1.00 0.00 C ATOM 791 CG GLU A 52 13.735 19.189 -5.688 1.00 0.00 C ATOM 792 CD GLU A 52 14.942 20.071 -5.434 1.00 0.00 C ATOM 793 OE1 GLU A 52 16.011 19.799 -6.020 1.00 0.00 O ATOM 794 OE2 GLU A 52 14.817 21.034 -4.648 1.00 0.00 O ATOM 0 H GLU A 52 12.419 19.497 -9.325 1.00 0.00 H new ATOM 0 HA GLU A 52 12.605 17.559 -7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.633 19.983 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.301 20.460 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.086 19.207 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.064 18.158 -5.820 1.00 0.00 H new ATOM 801 N GLU A 53 9.955 19.468 -6.834 1.00 0.00 N ATOM 802 CA GLU A 53 8.665 19.502 -6.155 1.00 0.00 C ATOM 803 C GLU A 53 7.941 18.166 -6.295 1.00 0.00 C ATOM 804 O GLU A 53 7.322 17.680 -5.349 1.00 0.00 O ATOM 805 CB GLU A 53 7.796 20.627 -6.721 1.00 0.00 C ATOM 806 CG GLU A 53 6.629 21.004 -5.824 1.00 0.00 C ATOM 807 CD GLU A 53 6.998 22.059 -4.799 1.00 0.00 C ATOM 808 OE1 GLU A 53 7.699 21.718 -3.824 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.585 23.225 -4.972 1.00 0.00 O ATOM 0 H GLU A 53 10.175 20.310 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 53 8.845 19.689 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.417 21.508 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.412 20.323 -7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.807 21.372 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.269 20.113 -5.309 1.00 0.00 H new ATOM 816 N LYS A 54 8.023 17.577 -7.484 1.00 0.00 N ATOM 817 CA LYS A 54 7.377 16.297 -7.750 1.00 0.00 C ATOM 818 C LYS A 54 8.119 15.159 -7.057 1.00 0.00 C ATOM 819 O LYS A 54 7.505 14.293 -6.433 1.00 0.00 O ATOM 820 CB LYS A 54 7.316 16.037 -9.257 1.00 0.00 C ATOM 821 CG LYS A 54 6.175 16.760 -9.953 1.00 0.00 C ATOM 822 CD LYS A 54 6.066 16.354 -11.413 1.00 0.00 C ATOM 823 CE LYS A 54 4.861 16.998 -12.082 1.00 0.00 C ATOM 824 NZ LYS A 54 4.392 16.211 -13.256 1.00 0.00 N ATOM 0 H LYS A 54 8.531 17.966 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 54 6.363 16.341 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.259 16.344 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.215 14.965 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.238 16.539 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.330 17.837 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.975 16.643 -11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.987 15.269 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.050 17.090 -11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.119 18.008 -12.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.570 16.683 -13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.157 16.144 -13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.121 15.255 -12.948 1.00 0.00 H new ATOM 838 N LEU A 55 9.443 15.166 -7.170 1.00 0.00 N ATOM 839 CA LEU A 55 10.269 14.135 -6.553 1.00 0.00 C ATOM 840 C LEU A 55 9.836 13.879 -5.113 1.00 0.00 C ATOM 841 O LEU A 55 9.642 12.734 -4.705 1.00 0.00 O ATOM 842 CB LEU A 55 11.743 14.545 -6.589 1.00 0.00 C ATOM 843 CG LEU A 55 12.528 14.115 -7.828 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.822 12.623 -7.784 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.764 14.473 -9.095 1.00 0.00 C ATOM 0 H LEU A 55 9.967 15.875 -7.683 1.00 0.00 H new ATOM 0 HA LEU A 55 10.140 13.214 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.800 15.630 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.236 14.132 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 55 13.477 14.651 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.381 12.336 -8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.411 12.394 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.884 12.068 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.338 14.159 -9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.799 13.965 -9.094 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.607 15.551 -9.133 1.00 0.00 H new ATOM 857 N LYS A 56 9.683 14.954 -4.347 1.00 0.00 N ATOM 858 CA LYS A 56 9.270 14.848 -2.953 1.00 0.00 C ATOM 859 C LYS A 56 8.106 13.874 -2.803 1.00 0.00 C ATOM 860 O LYS A 56 8.030 13.127 -1.827 1.00 0.00 O ATOM 861 CB LYS A 56 8.870 16.223 -2.412 1.00 0.00 C ATOM 862 CG LYS A 56 10.009 17.228 -2.402 1.00 0.00 C ATOM 863 CD LYS A 56 9.534 18.605 -1.969 1.00 0.00 C ATOM 864 CE LYS A 56 9.528 18.741 -0.454 1.00 0.00 C ATOM 865 NZ LYS A 56 10.903 18.902 0.094 1.00 0.00 N ATOM 0 H LYS A 56 9.839 15.909 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 56 10.115 14.469 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.053 16.618 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.489 16.108 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.793 16.884 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.449 17.290 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.182 19.367 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.531 18.783 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.921 19.600 -0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.062 17.860 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.848 19.160 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.424 18.007 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.399 19.652 -0.429 1.00 0.00 H new ATOM 879 N TYR A 57 7.202 13.885 -3.777 1.00 0.00 N ATOM 880 CA TYR A 57 6.042 13.002 -3.752 1.00 0.00 C ATOM 881 C TYR A 57 6.360 11.666 -4.418 1.00 0.00 C ATOM 882 O TYR A 57 5.869 10.619 -3.997 1.00 0.00 O ATOM 883 CB TYR A 57 4.856 13.665 -4.455 1.00 0.00 C ATOM 884 CG TYR A 57 4.055 14.581 -3.557 1.00 0.00 C ATOM 885 CD1 TYR A 57 4.409 15.915 -3.400 1.00 0.00 C ATOM 886 CD2 TYR A 57 2.945 14.111 -2.865 1.00 0.00 C ATOM 887 CE1 TYR A 57 3.681 16.755 -2.580 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.211 14.945 -2.044 1.00 0.00 C ATOM 889 CZ TYR A 57 2.582 16.266 -1.905 1.00 0.00 C ATOM 890 OH TYR A 57 1.854 17.099 -1.087 1.00 0.00 O ATOM 0 H TYR A 57 7.250 14.495 -4.593 1.00 0.00 H new ATOM 0 HA TYR A 57 5.781 12.815 -2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.223 14.236 -5.308 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.198 12.890 -4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.268 16.302 -3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.652 13.077 -2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.971 17.789 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.351 14.564 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 57 1.112 16.599 -0.687 1.00 0.00 H new ATOM 900 N GLU A 58 7.185 11.713 -5.459 1.00 0.00 N ATOM 901 CA GLU A 58 7.568 10.506 -6.183 1.00 0.00 C ATOM 902 C GLU A 58 8.119 9.451 -5.229 1.00 0.00 C ATOM 903 O GLU A 58 7.978 8.252 -5.466 1.00 0.00 O ATOM 904 CB GLU A 58 8.611 10.837 -7.253 1.00 0.00 C ATOM 905 CG GLU A 58 8.101 11.778 -8.330 1.00 0.00 C ATOM 906 CD GLU A 58 8.916 11.702 -9.606 1.00 0.00 C ATOM 907 OE1 GLU A 58 8.943 10.619 -10.229 1.00 0.00 O ATOM 908 OE2 GLU A 58 9.528 12.723 -9.982 1.00 0.00 O ATOM 0 H GLU A 58 7.600 12.572 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 58 6.677 10.104 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.481 11.285 -6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.946 9.911 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.061 11.539 -8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.119 12.800 -7.952 1.00 0.00 H new ATOM 915 N GLU A 59 8.747 9.907 -4.150 1.00 0.00 N ATOM 916 CA GLU A 59 9.321 9.002 -3.160 1.00 0.00 C ATOM 917 C GLU A 59 8.227 8.357 -2.315 1.00 0.00 C ATOM 918 O GLU A 59 8.400 7.258 -1.787 1.00 0.00 O ATOM 919 CB GLU A 59 10.302 9.753 -2.258 1.00 0.00 C ATOM 920 CG GLU A 59 11.695 9.885 -2.850 1.00 0.00 C ATOM 921 CD GLU A 59 12.429 8.560 -2.918 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.424 7.828 -1.906 1.00 0.00 O ATOM 923 OE2 GLU A 59 13.007 8.255 -3.982 1.00 0.00 O ATOM 0 H GLU A 59 8.871 10.897 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 59 9.857 8.216 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.907 10.748 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.371 9.236 -1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.621 10.307 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.275 10.587 -2.251 1.00 0.00 H new ATOM 930 N LYS A 60 7.099 9.048 -2.189 1.00 0.00 N ATOM 931 CA LYS A 60 5.975 8.545 -1.408 1.00 0.00 C ATOM 932 C LYS A 60 5.275 7.403 -2.137 1.00 0.00 C ATOM 933 O LYS A 60 4.573 6.600 -1.523 1.00 0.00 O ATOM 934 CB LYS A 60 4.978 9.671 -1.126 1.00 0.00 C ATOM 935 CG LYS A 60 5.284 10.450 0.142 1.00 0.00 C ATOM 936 CD LYS A 60 4.492 11.745 0.205 1.00 0.00 C ATOM 937 CE LYS A 60 3.008 11.482 0.411 1.00 0.00 C ATOM 938 NZ LYS A 60 2.669 11.319 1.852 1.00 0.00 N ATOM 0 H LYS A 60 6.939 9.959 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 60 6.362 8.166 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.970 10.358 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.976 9.248 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.050 9.837 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.350 10.672 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.869 12.364 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.638 12.307 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.431 12.307 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.719 10.583 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.649 11.141 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.200 10.516 2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.921 12.186 2.368 1.00 0.00 H new ATOM 952 N ALA A 61 5.472 7.336 -3.450 1.00 0.00 N ATOM 953 CA ALA A 61 4.862 6.290 -4.262 1.00 0.00 C ATOM 954 C ALA A 61 5.785 5.082 -4.385 1.00 0.00 C ATOM 955 O ALA A 61 5.341 3.937 -4.302 1.00 0.00 O ATOM 956 CB ALA A 61 4.509 6.830 -5.640 1.00 0.00 C ATOM 0 H ALA A 61 6.049 7.994 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 61 3.947 5.966 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.054 6.038 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.806 7.656 -5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.414 7.183 -6.135 1.00 0.00 H new ATOM 962 N THR A 62 7.073 5.346 -4.585 1.00 0.00 N ATOM 963 CA THR A 62 8.058 4.281 -4.722 1.00 0.00 C ATOM 964 C THR A 62 8.249 3.535 -3.406 1.00 0.00 C ATOM 965 O THR A 62 8.339 2.307 -3.383 1.00 0.00 O ATOM 966 CB THR A 62 9.419 4.831 -5.188 1.00 0.00 C ATOM 967 OG1 THR A 62 10.365 3.763 -5.307 1.00 0.00 O ATOM 968 CG2 THR A 62 9.944 5.873 -4.212 1.00 0.00 C ATOM 0 H THR A 62 7.458 6.288 -4.656 1.00 0.00 H new ATOM 0 HA THR A 62 7.675 3.592 -5.475 1.00 0.00 H new ATOM 0 HB THR A 62 9.281 5.303 -6.161 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.227 4.121 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.906 6.247 -4.562 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.236 6.699 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.067 5.421 -3.228 1.00 0.00 H new ATOM 976 N LYS A 63 8.308 4.284 -2.310 1.00 0.00 N ATOM 977 CA LYS A 63 8.486 3.694 -0.988 1.00 0.00 C ATOM 978 C LYS A 63 7.380 2.687 -0.689 1.00 0.00 C ATOM 979 O LYS A 63 7.574 1.751 0.087 1.00 0.00 O ATOM 980 CB LYS A 63 8.498 4.787 0.083 1.00 0.00 C ATOM 981 CG LYS A 63 8.752 4.262 1.485 1.00 0.00 C ATOM 982 CD LYS A 63 8.820 5.391 2.500 1.00 0.00 C ATOM 983 CE LYS A 63 9.215 4.880 3.877 1.00 0.00 C ATOM 984 NZ LYS A 63 8.076 4.216 4.570 1.00 0.00 N ATOM 0 H LYS A 63 8.235 5.301 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 63 9.442 3.171 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.266 5.520 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.542 5.310 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.959 3.568 1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.686 3.701 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.541 6.138 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.851 5.887 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.041 4.176 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.574 5.711 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.386 3.882 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.297 4.895 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.749 3.407 4.004 1.00 0.00 H new ATOM 998 N ASP A 64 6.223 2.884 -1.310 1.00 0.00 N ATOM 999 CA ASP A 64 5.087 1.991 -1.112 1.00 0.00 C ATOM 1000 C ASP A 64 4.987 0.979 -2.249 1.00 0.00 C ATOM 1001 O ASP A 64 4.133 0.091 -2.231 1.00 0.00 O ATOM 1002 CB ASP A 64 3.790 2.795 -1.012 1.00 0.00 C ATOM 1003 CG ASP A 64 2.668 2.005 -0.366 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.137 1.084 -1.021 1.00 0.00 O ATOM 1005 OD2 ASP A 64 2.321 2.309 0.794 1.00 0.00 O ATOM 0 H ASP A 64 6.046 3.654 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 64 5.241 1.448 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.971 3.702 -0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.482 3.109 -2.010 1.00 0.00 H new ATOM 1010 N LEU A 65 5.862 1.120 -3.238 1.00 0.00 N ATOM 1011 CA LEU A 65 5.872 0.219 -4.386 1.00 0.00 C ATOM 1012 C LEU A 65 6.193 -1.209 -3.954 1.00 0.00 C ATOM 1013 O LEU A 65 5.860 -2.167 -4.651 1.00 0.00 O ATOM 1014 CB LEU A 65 6.893 0.692 -5.422 1.00 0.00 C ATOM 1015 CG LEU A 65 6.759 0.088 -6.820 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.604 0.733 -7.571 1.00 0.00 C ATOM 1017 CD2 LEU A 65 8.057 0.248 -7.597 1.00 0.00 C ATOM 0 H LEU A 65 6.574 1.850 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 65 4.878 0.229 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.818 1.776 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.892 0.470 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 65 6.550 -0.977 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.524 0.291 -8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.676 0.567 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.784 1.804 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.943 -0.188 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.297 1.307 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.863 -0.261 -7.068 1.00 0.00 H new