USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 521 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 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -119:sc= -0.0127 (180deg=-0.334) USER MOD Single : A 17 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.3!) USER MOD Single : A 18 SER OG : rot -163:sc= 0.217 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.567 K(o=0.57,f=-1.6) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 0.494 (180deg=0.402) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00359 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0137) USER MOD Single : A 46 MET CE :methyl -157:sc= -0.0123 (180deg=-0.42) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000861) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N PRO A 8 -11.633 0.778 5.275 1.00 0.00 N ATOM 126 CA PRO A 8 -10.799 -0.403 5.377 1.00 0.00 C ATOM 127 C PRO A 8 -9.369 -0.013 5.131 1.00 0.00 C ATOM 128 O PRO A 8 -9.111 1.098 4.670 1.00 0.00 O ATOM 129 CB PRO A 8 -11.302 -1.299 4.235 1.00 0.00 C ATOM 130 CG PRO A 8 -11.781 -0.318 3.162 1.00 0.00 C ATOM 131 CD PRO A 8 -12.329 0.847 3.989 1.00 0.00 C ATOM 0 HA PRO A 8 -10.848 -0.892 6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.509 -1.944 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.111 -1.950 4.568 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.967 -0.003 2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.548 -0.758 2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.144 1.800 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.407 0.760 4.122 1.00 0.00 H new ATOM 139 N LEU A 9 -8.430 -0.926 5.440 1.00 0.00 N ATOM 140 CA LEU A 9 -7.032 -0.738 5.183 1.00 0.00 C ATOM 141 C LEU A 9 -6.588 -2.094 4.725 1.00 0.00 C ATOM 142 O LEU A 9 -7.338 -3.063 4.831 1.00 0.00 O ATOM 143 CB LEU A 9 -6.202 -0.317 6.427 1.00 0.00 C ATOM 144 CG LEU A 9 -6.395 1.159 6.869 1.00 0.00 C ATOM 145 CD1 LEU A 9 -7.550 1.365 7.868 1.00 0.00 C ATOM 146 CD2 LEU A 9 -5.095 1.741 7.451 1.00 0.00 C ATOM 0 H LEU A 9 -8.647 -1.820 5.881 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.879 0.072 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.466 -0.969 7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.146 -0.483 6.215 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.664 1.697 5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.621 2.421 8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.486 1.039 7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.361 0.781 8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.262 2.775 7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.791 1.156 8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.310 1.705 6.696 1.00 0.00 H new ATOM 158 N SER A 10 -5.346 -2.191 4.194 1.00 0.00 N ATOM 159 CA SER A 10 -4.748 -3.443 3.796 1.00 0.00 C ATOM 160 C SER A 10 -3.985 -3.944 4.999 1.00 0.00 C ATOM 161 O SER A 10 -3.851 -3.240 5.999 1.00 0.00 O ATOM 162 CB SER A 10 -3.819 -3.283 2.557 1.00 0.00 C ATOM 163 OG SER A 10 -3.433 -4.533 1.993 1.00 0.00 O ATOM 0 H SER A 10 -4.743 -1.383 4.037 1.00 0.00 H new ATOM 0 HA SER A 10 -5.514 -4.154 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.330 -2.690 1.799 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.926 -2.729 2.847 1.00 0.00 H new ATOM 0 HG SER A 10 -2.853 -4.377 1.219 1.00 0.00 H new ATOM 169 N ALA A 11 -3.462 -5.190 4.922 1.00 0.00 N ATOM 170 CA ALA A 11 -2.731 -5.836 5.987 1.00 0.00 C ATOM 171 C ALA A 11 -1.383 -5.185 6.152 1.00 0.00 C ATOM 172 O ALA A 11 -0.889 -5.017 7.266 1.00 0.00 O ATOM 173 CB ALA A 11 -2.514 -7.335 5.700 1.00 0.00 C ATOM 0 H ALA A 11 -3.550 -5.771 4.088 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.323 -5.732 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.961 -7.787 6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.480 -7.829 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.948 -7.450 4.776 1.00 0.00 H new ATOM 179 N TYR A 12 -0.781 -4.770 5.013 1.00 0.00 N ATOM 180 CA TYR A 12 0.485 -4.083 4.951 1.00 0.00 C ATOM 181 C TYR A 12 0.333 -2.687 5.507 1.00 0.00 C ATOM 182 O TYR A 12 1.207 -2.201 6.218 1.00 0.00 O ATOM 183 CB TYR A 12 0.993 -4.016 3.478 1.00 0.00 C ATOM 184 CG TYR A 12 2.363 -3.392 3.313 1.00 0.00 C ATOM 185 CD1 TYR A 12 3.432 -3.726 4.165 1.00 0.00 C ATOM 186 CD2 TYR A 12 2.594 -2.475 2.272 1.00 0.00 C ATOM 187 CE1 TYR A 12 4.699 -3.162 3.980 1.00 0.00 C ATOM 188 CE2 TYR A 12 3.861 -1.909 2.083 1.00 0.00 C ATOM 189 CZ TYR A 12 4.918 -2.261 2.932 1.00 0.00 C ATOM 190 OH TYR A 12 6.208 -1.725 2.736 1.00 0.00 O ATOM 0 H TYR A 12 -1.195 -4.920 4.093 1.00 0.00 H new ATOM 0 HA TYR A 12 1.215 -4.631 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.016 -5.026 3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.276 -3.448 2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.272 -4.426 4.972 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.785 -2.204 1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.508 -3.422 4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.023 -1.202 1.283 1.00 0.00 H new ATOM 0 HH TYR A 12 6.196 -1.117 1.968 1.00 0.00 H new ATOM 200 N MET A 13 -0.805 -2.025 5.195 1.00 0.00 N ATOM 201 CA MET A 13 -1.055 -0.632 5.484 1.00 0.00 C ATOM 202 C MET A 13 -1.180 -0.380 6.969 1.00 0.00 C ATOM 203 O MET A 13 -0.701 0.632 7.476 1.00 0.00 O ATOM 204 CB MET A 13 -2.345 -0.154 4.777 1.00 0.00 C ATOM 205 CG MET A 13 -2.463 1.373 4.622 1.00 0.00 C ATOM 206 SD MET A 13 -1.299 2.096 3.423 1.00 0.00 S ATOM 207 CE MET A 13 -2.131 1.506 1.916 1.00 0.00 C ATOM 0 H MET A 13 -1.586 -2.478 4.721 1.00 0.00 H new ATOM 0 HA MET A 13 -0.199 -0.070 5.110 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.392 -0.611 3.789 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.207 -0.517 5.338 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.480 1.618 4.316 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.301 1.839 5.594 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.457 0.855 1.359 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.028 0.950 2.189 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.407 2.358 1.295 1.00 0.00 H new ATOM 217 N LEU A 14 -1.809 -1.330 7.704 1.00 0.00 N ATOM 218 CA LEU A 14 -1.993 -1.271 9.140 1.00 0.00 C ATOM 219 C LEU A 14 -0.675 -1.389 9.866 1.00 0.00 C ATOM 220 O LEU A 14 -0.477 -0.766 10.909 1.00 0.00 O ATOM 221 CB LEU A 14 -2.892 -2.422 9.654 1.00 0.00 C ATOM 222 CG LEU A 14 -4.382 -2.307 9.258 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.097 -3.667 9.375 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.113 -1.230 10.083 1.00 0.00 C ATOM 0 H LEU A 14 -2.205 -2.172 7.286 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.462 -0.307 9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.502 -3.366 9.275 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.821 -2.462 10.741 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.413 -1.996 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.143 -3.554 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.617 -4.389 8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.038 -4.022 10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.157 -1.181 9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.060 -1.484 11.142 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.640 -0.262 9.918 1.00 0.00 H new ATOM 236 N TRP A 15 0.266 -2.192 9.312 1.00 0.00 N ATOM 237 CA TRP A 15 1.566 -2.421 9.898 1.00 0.00 C ATOM 238 C TRP A 15 2.434 -1.190 9.743 1.00 0.00 C ATOM 239 O TRP A 15 3.217 -0.870 10.637 1.00 0.00 O ATOM 240 CB TRP A 15 2.277 -3.660 9.287 1.00 0.00 C ATOM 241 CG TRP A 15 3.600 -4.017 9.952 1.00 0.00 C ATOM 242 CD1 TRP A 15 3.832 -4.734 11.091 1.00 0.00 C ATOM 243 CD2 TRP A 15 4.870 -3.477 9.547 1.00 0.00 C ATOM 244 NE1 TRP A 15 5.166 -4.683 11.426 1.00 0.00 N ATOM 245 CE2 TRP A 15 5.820 -3.895 10.504 1.00 0.00 C ATOM 246 CE3 TRP A 15 5.232 -2.656 8.484 1.00 0.00 C ATOM 247 CZ2 TRP A 15 7.146 -3.482 10.421 1.00 0.00 C ATOM 248 CZ3 TRP A 15 6.559 -2.216 8.420 1.00 0.00 C ATOM 249 CH2 TRP A 15 7.499 -2.613 9.379 1.00 0.00 C ATOM 0 H TRP A 15 0.121 -2.694 8.436 1.00 0.00 H new ATOM 0 HA TRP A 15 1.412 -2.626 10.958 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.608 -4.518 9.354 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.455 -3.476 8.227 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.076 -5.266 11.650 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.598 -5.150 12.223 1.00 0.00 H new ATOM 0 HE3 TRP A 15 4.512 -2.367 7.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.880 -3.820 11.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.863 -1.560 7.618 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.512 -2.244 9.315 1.00 0.00 H new ATOM 260 N LEU A 16 2.302 -0.456 8.611 1.00 0.00 N ATOM 261 CA LEU A 16 3.082 0.734 8.333 1.00 0.00 C ATOM 262 C LEU A 16 2.729 1.849 9.280 1.00 0.00 C ATOM 263 O LEU A 16 3.599 2.629 9.664 1.00 0.00 O ATOM 264 CB LEU A 16 2.866 1.291 6.902 1.00 0.00 C ATOM 265 CG LEU A 16 3.420 0.409 5.760 1.00 0.00 C ATOM 266 CD1 LEU A 16 2.979 0.967 4.392 1.00 0.00 C ATOM 267 CD2 LEU A 16 4.950 0.247 5.820 1.00 0.00 C ATOM 0 H LEU A 16 1.641 -0.691 7.871 1.00 0.00 H new ATOM 0 HA LEU A 16 4.118 0.417 8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.797 1.434 6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.332 2.274 6.838 1.00 0.00 H new ATOM 0 HG LEU A 16 2.999 -0.588 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.376 0.336 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.890 0.978 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.358 1.982 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.282 -0.382 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.423 1.226 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.230 -0.218 6.765 1.00 0.00 H new ATOM 279 N ASN A 17 1.439 1.940 9.677 1.00 0.00 N ATOM 280 CA ASN A 17 0.928 3.006 10.511 1.00 0.00 C ATOM 281 C ASN A 17 1.323 2.801 11.949 1.00 0.00 C ATOM 282 O ASN A 17 1.532 3.771 12.675 1.00 0.00 O ATOM 283 CB ASN A 17 -0.617 3.110 10.464 1.00 0.00 C ATOM 284 CG ASN A 17 -1.076 3.559 9.069 1.00 0.00 C ATOM 285 OD1 ASN A 17 -0.326 4.197 8.320 1.00 0.00 O ATOM 286 ND2 ASN A 17 -2.356 3.224 8.728 1.00 0.00 N ATOM 0 H ASN A 17 0.729 1.256 9.413 1.00 0.00 H new ATOM 0 HA ASN A 17 1.363 3.924 10.114 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.061 2.145 10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.964 3.820 11.215 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.731 3.501 7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.936 2.696 9.380 1.00 0.00 H new ATOM 293 N SER A 18 1.445 1.530 12.396 1.00 0.00 N ATOM 294 CA SER A 18 1.783 1.209 13.765 1.00 0.00 C ATOM 295 C SER A 18 3.272 1.350 13.988 1.00 0.00 C ATOM 296 O SER A 18 3.699 1.817 15.042 1.00 0.00 O ATOM 297 CB SER A 18 1.291 -0.198 14.199 1.00 0.00 C ATOM 298 OG SER A 18 1.630 -1.209 13.256 1.00 0.00 O ATOM 0 H SER A 18 1.308 0.712 11.803 1.00 0.00 H new ATOM 0 HA SER A 18 1.257 1.926 14.395 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.725 -0.448 15.167 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.209 -0.176 14.331 1.00 0.00 H new ATOM 0 HG SER A 18 1.082 -2.005 13.419 1.00 0.00 H new ATOM 304 N ALA A 19 4.096 0.973 12.981 1.00 0.00 N ATOM 305 CA ALA A 19 5.540 1.017 13.065 1.00 0.00 C ATOM 306 C ALA A 19 6.075 2.336 12.559 1.00 0.00 C ATOM 307 O ALA A 19 7.271 2.464 12.305 1.00 0.00 O ATOM 308 CB ALA A 19 6.179 -0.099 12.214 1.00 0.00 C ATOM 0 H ALA A 19 3.753 0.628 12.084 1.00 0.00 H new ATOM 0 HA ALA A 19 5.795 0.885 14.116 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.264 -0.042 12.296 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.838 -1.070 12.573 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.886 0.026 11.171 1.00 0.00 H new ATOM 314 N ARG A 20 5.201 3.359 12.406 1.00 0.00 N ATOM 315 CA ARG A 20 5.497 4.594 11.715 1.00 0.00 C ATOM 316 C ARG A 20 6.492 5.443 12.460 1.00 0.00 C ATOM 317 O ARG A 20 7.392 6.020 11.853 1.00 0.00 O ATOM 318 CB ARG A 20 4.206 5.409 11.465 1.00 0.00 C ATOM 319 CG ARG A 20 4.311 6.495 10.381 1.00 0.00 C ATOM 320 CD ARG A 20 2.921 7.026 9.985 1.00 0.00 C ATOM 321 NE ARG A 20 3.050 8.006 8.849 1.00 0.00 N ATOM 322 CZ ARG A 20 2.530 9.274 8.865 1.00 0.00 C ATOM 323 NH1 ARG A 20 1.982 9.807 9.994 1.00 0.00 N ATOM 324 NH2 ARG A 20 2.577 10.030 7.730 1.00 0.00 N ATOM 0 H ARG A 20 4.251 3.327 12.777 1.00 0.00 H new ATOM 0 HA ARG A 20 5.942 4.315 10.760 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.409 4.719 11.188 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.908 5.881 12.401 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.927 7.317 10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.811 6.088 9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.276 6.198 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.449 7.509 10.841 1.00 0.00 H new ATOM 0 HE ARG A 20 3.556 7.707 8.015 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.952 9.259 10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.602 10.753 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.996 9.650 6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.193 10.975 7.730 1.00 0.00 H new ATOM 338 N GLU A 21 6.364 5.522 13.806 1.00 0.00 N ATOM 339 CA GLU A 21 7.196 6.360 14.643 1.00 0.00 C ATOM 340 C GLU A 21 8.602 5.813 14.718 1.00 0.00 C ATOM 341 O GLU A 21 9.571 6.569 14.717 1.00 0.00 O ATOM 342 CB GLU A 21 6.633 6.493 16.081 1.00 0.00 C ATOM 343 CG GLU A 21 7.295 7.623 16.895 1.00 0.00 C ATOM 344 CD GLU A 21 6.727 7.663 18.313 1.00 0.00 C ATOM 345 OE1 GLU A 21 6.920 6.664 19.057 1.00 0.00 O ATOM 346 OE2 GLU A 21 6.119 8.702 18.682 1.00 0.00 O ATOM 0 H GLU A 21 5.666 4.992 14.328 1.00 0.00 H new ATOM 0 HA GLU A 21 7.204 7.348 14.182 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.560 6.674 16.028 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.771 5.548 16.606 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.373 7.469 16.933 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.127 8.581 16.402 1.00 0.00 H new ATOM 353 N SER A 22 8.732 4.466 14.760 1.00 0.00 N ATOM 354 CA SER A 22 9.985 3.760 14.905 1.00 0.00 C ATOM 355 C SER A 22 10.866 3.944 13.696 1.00 0.00 C ATOM 356 O SER A 22 12.070 4.156 13.827 1.00 0.00 O ATOM 357 CB SER A 22 9.763 2.241 15.095 1.00 0.00 C ATOM 358 OG SER A 22 8.905 2.001 16.204 1.00 0.00 O ATOM 0 H SER A 22 7.930 3.839 14.690 1.00 0.00 H new ATOM 0 HA SER A 22 10.467 4.181 15.788 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.328 1.815 14.191 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.720 1.744 15.253 1.00 0.00 H new ATOM 0 HG SER A 22 8.772 1.036 16.312 1.00 0.00 H new ATOM 364 N ILE A 23 10.262 3.885 12.485 1.00 0.00 N ATOM 365 CA ILE A 23 10.951 4.004 11.218 1.00 0.00 C ATOM 366 C ILE A 23 11.418 5.432 11.041 1.00 0.00 C ATOM 367 O ILE A 23 12.529 5.663 10.569 1.00 0.00 O ATOM 368 CB ILE A 23 10.072 3.536 10.052 1.00 0.00 C ATOM 369 CG1 ILE A 23 9.779 2.018 10.205 1.00 0.00 C ATOM 370 CG2 ILE A 23 10.736 3.831 8.686 1.00 0.00 C ATOM 371 CD1 ILE A 23 8.720 1.481 9.233 1.00 0.00 C ATOM 0 H ILE A 23 9.256 3.749 12.381 1.00 0.00 H new ATOM 0 HA ILE A 23 11.822 3.349 11.220 1.00 0.00 H new ATOM 0 HB ILE A 23 9.134 4.091 10.080 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.706 1.464 10.057 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.451 1.824 11.226 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.085 3.486 7.883 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.899 4.904 8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.692 3.311 8.626 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.575 0.415 9.406 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.779 2.006 9.394 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.053 1.640 8.207 1.00 0.00 H new ATOM 383 N LYS A 24 10.596 6.428 11.454 1.00 0.00 N ATOM 384 CA LYS A 24 10.909 7.831 11.288 1.00 0.00 C ATOM 385 C LYS A 24 11.988 8.320 12.223 1.00 0.00 C ATOM 386 O LYS A 24 12.615 9.336 11.934 1.00 0.00 O ATOM 387 CB LYS A 24 9.675 8.750 11.437 1.00 0.00 C ATOM 388 CG LYS A 24 8.715 8.644 10.241 1.00 0.00 C ATOM 389 CD LYS A 24 7.549 9.640 10.313 1.00 0.00 C ATOM 390 CE LYS A 24 6.666 9.607 9.059 1.00 0.00 C ATOM 391 NZ LYS A 24 5.638 10.672 9.105 1.00 0.00 N ATOM 0 H LYS A 24 9.700 6.259 11.911 1.00 0.00 H new ATOM 0 HA LYS A 24 11.278 7.894 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.141 8.491 12.351 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.006 9.783 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.272 8.813 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.317 7.631 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.939 9.417 11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.944 10.647 10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.285 9.732 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.183 8.634 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.054 10.628 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.034 10.536 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.103 11.601 9.161 1.00 0.00 H new ATOM 405 N ARG A 25 12.258 7.606 13.344 1.00 0.00 N ATOM 406 CA ARG A 25 13.359 7.941 14.222 1.00 0.00 C ATOM 407 C ARG A 25 14.656 7.495 13.602 1.00 0.00 C ATOM 408 O ARG A 25 15.627 8.249 13.587 1.00 0.00 O ATOM 409 CB ARG A 25 13.269 7.296 15.626 1.00 0.00 C ATOM 410 CG ARG A 25 12.273 8.001 16.561 1.00 0.00 C ATOM 411 CD ARG A 25 12.402 7.528 18.017 1.00 0.00 C ATOM 412 NE ARG A 25 11.546 8.403 18.894 1.00 0.00 N ATOM 413 CZ ARG A 25 10.330 8.031 19.400 1.00 0.00 C ATOM 414 NH1 ARG A 25 9.841 6.771 19.217 1.00 0.00 N ATOM 415 NH2 ARG A 25 9.584 8.944 20.093 1.00 0.00 N ATOM 0 H ARG A 25 11.715 6.796 13.644 1.00 0.00 H new ATOM 0 HA ARG A 25 13.310 9.022 14.349 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.978 6.251 15.519 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.257 7.306 16.086 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.436 9.078 16.516 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.257 7.817 16.211 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.090 6.487 18.104 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.443 7.576 18.338 1.00 0.00 H new ATOM 0 HE ARG A 25 11.895 9.333 19.126 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.384 6.084 18.694 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.932 6.516 19.603 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.935 9.892 20.229 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.676 8.677 20.474 1.00 0.00 H new ATOM 429 N GLU A 26 14.695 6.249 13.075 1.00 0.00 N ATOM 430 CA GLU A 26 15.917 5.628 12.616 1.00 0.00 C ATOM 431 C GLU A 26 16.154 5.881 11.146 1.00 0.00 C ATOM 432 O GLU A 26 16.880 5.130 10.494 1.00 0.00 O ATOM 433 CB GLU A 26 15.909 4.097 12.863 1.00 0.00 C ATOM 434 CG GLU A 26 15.610 3.694 14.323 1.00 0.00 C ATOM 435 CD GLU A 26 16.582 4.374 15.286 1.00 0.00 C ATOM 436 OE1 GLU A 26 17.811 4.118 15.166 1.00 0.00 O ATOM 437 OE2 GLU A 26 16.108 5.160 16.150 1.00 0.00 O ATOM 0 H GLU A 26 13.868 5.662 12.965 1.00 0.00 H new ATOM 0 HA GLU A 26 16.723 6.081 13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 26 15.165 3.639 12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.878 3.689 12.576 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.587 3.969 14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.685 2.612 14.428 1.00 0.00 H new ATOM 444 N ASN A 27 15.567 6.967 10.595 1.00 0.00 N ATOM 445 CA ASN A 27 15.819 7.415 9.249 1.00 0.00 C ATOM 446 C ASN A 27 15.789 8.920 9.347 1.00 0.00 C ATOM 447 O ASN A 27 15.144 9.431 10.261 1.00 0.00 O ATOM 448 CB ASN A 27 14.736 6.977 8.233 1.00 0.00 C ATOM 449 CG ASN A 27 14.971 5.532 7.780 1.00 0.00 C ATOM 450 OD1 ASN A 27 15.713 5.312 6.816 1.00 0.00 O ATOM 451 ND2 ASN A 27 14.318 4.549 8.468 1.00 0.00 N ATOM 0 H ASN A 27 14.899 7.550 11.098 1.00 0.00 H new ATOM 0 HA ASN A 27 16.757 6.992 8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 27 13.748 7.065 8.686 1.00 0.00 H new ATOM 0 HB3 ASN A 27 14.751 7.641 7.369 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.431 3.573 8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.718 4.791 9.256 1.00 0.00 H new ATOM 458 N PRO A 28 16.460 9.677 8.478 1.00 0.00 N ATOM 459 CA PRO A 28 16.578 11.123 8.615 1.00 0.00 C ATOM 460 C PRO A 28 15.396 11.841 7.986 1.00 0.00 C ATOM 461 O PRO A 28 15.576 12.519 6.976 1.00 0.00 O ATOM 462 CB PRO A 28 17.883 11.435 7.859 1.00 0.00 C ATOM 463 CG PRO A 28 17.955 10.371 6.757 1.00 0.00 C ATOM 464 CD PRO A 28 17.363 9.145 7.451 1.00 0.00 C ATOM 0 HA PRO A 28 16.590 11.453 9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.867 12.441 7.439 1.00 0.00 H new ATOM 0 HB3 PRO A 28 18.747 11.380 8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.380 10.658 5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 28 18.979 10.197 6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 28 16.825 8.514 6.743 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.145 8.530 7.896 1.00 0.00 H new ATOM 472 N GLY A 29 14.181 11.730 8.576 1.00 0.00 N ATOM 473 CA GLY A 29 13.015 12.473 8.144 1.00 0.00 C ATOM 474 C GLY A 29 12.472 11.887 6.875 1.00 0.00 C ATOM 475 O GLY A 29 12.587 12.479 5.803 1.00 0.00 O ATOM 0 H GLY A 29 14.002 11.113 9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.251 12.449 8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.278 13.519 7.987 1.00 0.00 H new ATOM 479 N ILE A 30 11.884 10.678 6.990 1.00 0.00 N ATOM 480 CA ILE A 30 11.554 9.829 5.875 1.00 0.00 C ATOM 481 C ILE A 30 10.089 9.995 5.545 1.00 0.00 C ATOM 482 O ILE A 30 9.264 10.216 6.431 1.00 0.00 O ATOM 483 CB ILE A 30 11.960 8.393 6.194 1.00 0.00 C ATOM 484 CG1 ILE A 30 11.893 7.463 4.968 1.00 0.00 C ATOM 485 CG2 ILE A 30 11.190 7.858 7.421 1.00 0.00 C ATOM 486 CD1 ILE A 30 12.566 6.105 5.179 1.00 0.00 C ATOM 0 H ILE A 30 11.628 10.275 7.891 1.00 0.00 H new ATOM 0 HA ILE A 30 12.109 10.111 4.980 1.00 0.00 H new ATOM 0 HB ILE A 30 13.015 8.405 6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.848 7.302 4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.363 7.962 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.499 6.833 7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.407 8.482 8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.120 7.880 7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.476 5.509 4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.620 6.254 5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.082 5.583 6.005 1.00 0.00 H new ATOM 498 N LYS A 31 9.750 9.940 4.231 1.00 0.00 N ATOM 499 CA LYS A 31 8.423 10.200 3.713 1.00 0.00 C ATOM 500 C LYS A 31 7.836 8.860 3.362 1.00 0.00 C ATOM 501 O LYS A 31 8.529 7.850 3.399 1.00 0.00 O ATOM 502 CB LYS A 31 8.409 11.121 2.461 1.00 0.00 C ATOM 503 CG LYS A 31 8.770 12.600 2.731 1.00 0.00 C ATOM 504 CD LYS A 31 10.254 12.877 3.032 1.00 0.00 C ATOM 505 CE LYS A 31 10.575 14.362 3.250 1.00 0.00 C ATOM 506 NZ LYS A 31 11.998 14.536 3.629 1.00 0.00 N ATOM 0 H LYS A 31 10.424 9.706 3.502 1.00 0.00 H new ATOM 0 HA LYS A 31 7.847 10.732 4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.108 10.721 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.417 11.082 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.477 13.191 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.175 12.953 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.545 12.318 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.859 12.501 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.364 14.923 2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.932 14.768 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.151 15.507 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.241 13.863 4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.602 14.360 2.801 1.00 0.00 H new ATOM 520 N VAL A 32 6.522 8.815 3.034 1.00 0.00 N ATOM 521 CA VAL A 32 5.716 7.610 2.990 1.00 0.00 C ATOM 522 C VAL A 32 6.149 6.606 1.939 1.00 0.00 C ATOM 523 O VAL A 32 6.086 5.398 2.169 1.00 0.00 O ATOM 524 CB VAL A 32 4.235 7.951 2.845 1.00 0.00 C ATOM 525 CG1 VAL A 32 3.939 8.613 1.482 1.00 0.00 C ATOM 526 CG2 VAL A 32 3.350 6.717 3.124 1.00 0.00 C ATOM 0 H VAL A 32 5.994 9.653 2.788 1.00 0.00 H new ATOM 0 HA VAL A 32 5.879 7.115 3.947 1.00 0.00 H new ATOM 0 HB VAL A 32 3.979 8.692 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.876 8.843 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.516 9.534 1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.216 7.931 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.300 6.990 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.596 5.925 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.528 6.364 4.140 1.00 0.00 H new ATOM 536 N THR A 33 6.628 7.079 0.764 1.00 0.00 N ATOM 537 CA THR A 33 7.020 6.235 -0.342 1.00 0.00 C ATOM 538 C THR A 33 8.342 5.565 -0.037 1.00 0.00 C ATOM 539 O THR A 33 8.627 4.471 -0.518 1.00 0.00 O ATOM 540 CB THR A 33 7.110 7.015 -1.650 1.00 0.00 C ATOM 541 OG1 THR A 33 7.882 8.204 -1.499 1.00 0.00 O ATOM 542 CG2 THR A 33 5.681 7.393 -2.095 1.00 0.00 C ATOM 0 H THR A 33 6.747 8.074 0.576 1.00 0.00 H new ATOM 0 HA THR A 33 6.249 5.475 -0.469 1.00 0.00 H new ATOM 0 HB THR A 33 7.599 6.388 -2.395 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.921 8.679 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.727 7.952 -3.030 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.094 6.486 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.212 8.008 -1.327 1.00 0.00 H new ATOM 550 N GLU A 34 9.162 6.226 0.807 1.00 0.00 N ATOM 551 CA GLU A 34 10.466 5.777 1.213 1.00 0.00 C ATOM 552 C GLU A 34 10.342 4.853 2.405 1.00 0.00 C ATOM 553 O GLU A 34 11.211 4.014 2.637 1.00 0.00 O ATOM 554 CB GLU A 34 11.347 6.981 1.600 1.00 0.00 C ATOM 555 CG GLU A 34 11.507 8.031 0.486 1.00 0.00 C ATOM 556 CD GLU A 34 12.317 9.208 1.027 1.00 0.00 C ATOM 557 OE1 GLU A 34 11.848 9.845 2.012 1.00 0.00 O ATOM 558 OE2 GLU A 34 13.411 9.486 0.471 1.00 0.00 O ATOM 0 H GLU A 34 8.903 7.118 1.228 1.00 0.00 H new ATOM 0 HA GLU A 34 10.926 5.245 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.918 7.463 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.334 6.617 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.010 7.592 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.529 8.371 0.146 1.00 0.00 H new ATOM 565 N VAL A 35 9.232 4.964 3.181 1.00 0.00 N ATOM 566 CA VAL A 35 8.912 4.111 4.312 1.00 0.00 C ATOM 567 C VAL A 35 8.524 2.742 3.799 1.00 0.00 C ATOM 568 O VAL A 35 8.731 1.742 4.483 1.00 0.00 O ATOM 569 CB VAL A 35 7.817 4.717 5.202 1.00 0.00 C ATOM 570 CG1 VAL A 35 7.170 3.701 6.170 1.00 0.00 C ATOM 571 CG2 VAL A 35 8.433 5.868 6.019 1.00 0.00 C ATOM 0 H VAL A 35 8.524 5.679 3.015 1.00 0.00 H new ATOM 0 HA VAL A 35 9.794 4.020 4.946 1.00 0.00 H new ATOM 0 HB VAL A 35 7.023 5.066 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.406 4.201 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.713 2.894 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.934 3.290 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.669 6.311 6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.244 5.482 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.824 6.627 5.341 1.00 0.00 H new ATOM 581 N ALA A 36 7.999 2.651 2.552 1.00 0.00 N ATOM 582 CA ALA A 36 7.635 1.396 1.927 1.00 0.00 C ATOM 583 C ALA A 36 8.850 0.570 1.565 1.00 0.00 C ATOM 584 O ALA A 36 8.747 -0.642 1.389 1.00 0.00 O ATOM 585 CB ALA A 36 6.814 1.603 0.639 1.00 0.00 C ATOM 0 H ALA A 36 7.823 3.465 1.963 1.00 0.00 H new ATOM 0 HA ALA A 36 7.033 0.871 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.565 0.634 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.896 2.142 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.399 2.180 -0.077 1.00 0.00 H new ATOM 591 N LYS A 37 10.034 1.219 1.462 1.00 0.00 N ATOM 592 CA LYS A 37 11.287 0.593 1.113 1.00 0.00 C ATOM 593 C LYS A 37 11.835 -0.135 2.317 1.00 0.00 C ATOM 594 O LYS A 37 12.069 -1.341 2.270 1.00 0.00 O ATOM 595 CB LYS A 37 12.316 1.651 0.642 1.00 0.00 C ATOM 596 CG LYS A 37 13.604 1.092 0.016 1.00 0.00 C ATOM 597 CD LYS A 37 14.594 2.218 -0.333 1.00 0.00 C ATOM 598 CE LYS A 37 15.869 1.748 -1.048 1.00 0.00 C ATOM 599 NZ LYS A 37 15.570 1.220 -2.399 1.00 0.00 N ATOM 0 H LYS A 37 10.123 2.221 1.629 1.00 0.00 H new ATOM 0 HA LYS A 37 11.111 -0.110 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.833 2.303 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.588 2.272 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.074 0.394 0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.358 0.530 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.087 2.947 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.877 2.733 0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.570 2.579 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.357 0.975 -0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.459 0.974 -2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.975 0.371 -2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.066 1.943 -2.951 1.00 0.00 H new ATOM 613 N ARG A 38 12.035 0.604 3.436 1.00 0.00 N ATOM 614 CA ARG A 38 12.641 0.108 4.655 1.00 0.00 C ATOM 615 C ARG A 38 11.690 -0.791 5.398 1.00 0.00 C ATOM 616 O ARG A 38 12.100 -1.777 6.007 1.00 0.00 O ATOM 617 CB ARG A 38 13.035 1.259 5.615 1.00 0.00 C ATOM 618 CG ARG A 38 14.215 2.122 5.123 1.00 0.00 C ATOM 619 CD ARG A 38 15.577 1.399 5.081 1.00 0.00 C ATOM 620 NE ARG A 38 15.926 0.888 6.455 1.00 0.00 N ATOM 621 CZ ARG A 38 16.680 1.578 7.368 1.00 0.00 C ATOM 622 NH1 ARG A 38 17.236 2.785 7.063 1.00 0.00 N ATOM 623 NH2 ARG A 38 16.874 1.051 8.614 1.00 0.00 N ATOM 0 H ARG A 38 11.765 1.586 3.497 1.00 0.00 H new ATOM 0 HA ARG A 38 13.533 -0.439 4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.168 1.902 5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.291 0.835 6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 38 13.985 2.490 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.303 2.994 5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.538 0.570 4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 38 16.351 2.082 4.729 1.00 0.00 H new ATOM 0 HE ARG A 38 15.578 -0.032 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.094 3.193 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.793 3.280 7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.459 0.152 8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.434 1.557 9.300 1.00 0.00 H new ATOM 637 N GLY A 39 10.381 -0.465 5.351 1.00 0.00 N ATOM 638 CA GLY A 39 9.349 -1.182 6.054 1.00 0.00 C ATOM 639 C GLY A 39 8.943 -2.423 5.316 1.00 0.00 C ATOM 640 O GLY A 39 8.245 -3.266 5.872 1.00 0.00 O ATOM 0 H GLY A 39 10.027 0.322 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.703 -1.449 7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.481 -0.536 6.187 1.00 0.00 H new ATOM 644 N GLY A 40 9.390 -2.577 4.047 1.00 0.00 N ATOM 645 CA GLY A 40 9.113 -3.742 3.239 1.00 0.00 C ATOM 646 C GLY A 40 9.987 -4.889 3.659 1.00 0.00 C ATOM 647 O GLY A 40 9.619 -6.049 3.488 1.00 0.00 O ATOM 0 H GLY A 40 9.957 -1.877 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.064 -4.020 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.284 -3.512 2.187 1.00 0.00 H new ATOM 651 N GLU A 41 11.171 -4.578 4.239 1.00 0.00 N ATOM 652 CA GLU A 41 12.142 -5.541 4.702 1.00 0.00 C ATOM 653 C GLU A 41 11.650 -6.182 5.974 1.00 0.00 C ATOM 654 O GLU A 41 11.703 -7.400 6.139 1.00 0.00 O ATOM 655 CB GLU A 41 13.504 -4.874 5.021 1.00 0.00 C ATOM 656 CG GLU A 41 14.108 -4.107 3.831 1.00 0.00 C ATOM 657 CD GLU A 41 15.406 -3.435 4.276 1.00 0.00 C ATOM 658 OE1 GLU A 41 16.363 -4.174 4.628 1.00 0.00 O ATOM 659 OE2 GLU A 41 15.456 -2.175 4.277 1.00 0.00 O ATOM 0 H GLU A 41 11.465 -3.614 4.392 1.00 0.00 H new ATOM 0 HA GLU A 41 12.273 -6.274 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.376 -4.187 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.208 -5.641 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.302 -4.789 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.403 -3.359 3.469 1.00 0.00 H new ATOM 666 N LEU A 42 11.150 -5.334 6.900 1.00 0.00 N ATOM 667 CA LEU A 42 10.745 -5.706 8.235 1.00 0.00 C ATOM 668 C LEU A 42 9.391 -6.369 8.224 1.00 0.00 C ATOM 669 O LEU A 42 9.055 -7.112 9.143 1.00 0.00 O ATOM 670 CB LEU A 42 10.653 -4.462 9.146 1.00 0.00 C ATOM 671 CG LEU A 42 11.977 -3.673 9.300 1.00 0.00 C ATOM 672 CD1 LEU A 42 11.728 -2.318 9.992 1.00 0.00 C ATOM 673 CD2 LEU A 42 13.067 -4.480 10.036 1.00 0.00 C ATOM 0 H LEU A 42 11.021 -4.340 6.712 1.00 0.00 H new ATOM 0 HA LEU A 42 11.497 -6.398 8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.891 -3.792 8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.316 -4.776 10.134 1.00 0.00 H new ATOM 0 HG LEU A 42 12.354 -3.486 8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.671 -1.781 10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.034 -1.727 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.303 -2.487 10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 42 13.973 -3.879 10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.715 -4.741 11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.284 -5.391 9.479 1.00 0.00 H new ATOM 685 N TRP A 43 8.592 -6.119 7.162 1.00 0.00 N ATOM 686 CA TRP A 43 7.309 -6.739 6.927 1.00 0.00 C ATOM 687 C TRP A 43 7.522 -8.154 6.444 1.00 0.00 C ATOM 688 O TRP A 43 6.758 -9.050 6.798 1.00 0.00 O ATOM 689 CB TRP A 43 6.503 -5.936 5.861 1.00 0.00 C ATOM 690 CG TRP A 43 5.319 -6.626 5.199 1.00 0.00 C ATOM 691 CD1 TRP A 43 5.302 -7.239 3.978 1.00 0.00 C ATOM 692 CD2 TRP A 43 4.020 -6.837 5.778 1.00 0.00 C ATOM 693 NE1 TRP A 43 4.086 -7.832 3.761 1.00 0.00 N ATOM 694 CE2 TRP A 43 3.274 -7.595 4.848 1.00 0.00 C ATOM 695 CE3 TRP A 43 3.465 -6.440 6.990 1.00 0.00 C ATOM 696 CZ2 TRP A 43 1.963 -7.971 5.118 1.00 0.00 C ATOM 697 CZ3 TRP A 43 2.144 -6.825 7.264 1.00 0.00 C ATOM 698 CH2 TRP A 43 1.406 -7.584 6.345 1.00 0.00 C ATOM 0 H TRP A 43 8.850 -5.455 6.432 1.00 0.00 H new ATOM 0 HA TRP A 43 6.742 -6.747 7.858 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.138 -5.024 6.334 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.196 -5.632 5.076 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.129 -7.254 3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.825 -8.362 2.930 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.033 -5.854 7.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 1.391 -8.544 4.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.688 -6.532 8.198 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.394 -7.875 6.586 1.00 0.00 H new ATOM 709 N ARG A 44 8.558 -8.372 5.598 1.00 0.00 N ATOM 710 CA ARG A 44 8.783 -9.624 4.912 1.00 0.00 C ATOM 711 C ARG A 44 9.175 -10.696 5.893 1.00 0.00 C ATOM 712 O ARG A 44 8.621 -11.794 5.868 1.00 0.00 O ATOM 713 CB ARG A 44 9.873 -9.488 3.819 1.00 0.00 C ATOM 714 CG ARG A 44 9.965 -10.663 2.827 1.00 0.00 C ATOM 715 CD ARG A 44 8.715 -10.815 1.942 1.00 0.00 C ATOM 716 NE ARG A 44 8.978 -11.834 0.867 1.00 0.00 N ATOM 717 CZ ARG A 44 8.798 -13.180 1.032 1.00 0.00 C ATOM 718 NH1 ARG A 44 8.383 -13.700 2.223 1.00 0.00 N ATOM 719 NH2 ARG A 44 9.040 -14.019 -0.021 1.00 0.00 N ATOM 0 H ARG A 44 9.258 -7.661 5.384 1.00 0.00 H new ATOM 0 HA ARG A 44 7.849 -9.904 4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.687 -8.573 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.840 -9.370 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.838 -10.523 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.122 -11.587 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.863 -11.123 2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.456 -9.856 1.493 1.00 0.00 H new ATOM 0 HE ARG A 44 9.310 -11.502 -0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.200 -13.082 3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.255 -14.707 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.351 -13.639 -0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.910 -15.025 0.088 1.00 0.00 H new ATOM 733 N ALA A 45 10.123 -10.372 6.802 1.00 0.00 N ATOM 734 CA ALA A 45 10.488 -11.227 7.904 1.00 0.00 C ATOM 735 C ALA A 45 9.956 -10.559 9.140 1.00 0.00 C ATOM 736 O ALA A 45 10.615 -9.702 9.722 1.00 0.00 O ATOM 737 CB ALA A 45 12.013 -11.410 8.036 1.00 0.00 C ATOM 0 H ALA A 45 10.648 -9.498 6.772 1.00 0.00 H new ATOM 0 HA ALA A 45 10.074 -12.223 7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 45 12.229 -12.063 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.406 -11.857 7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.483 -10.440 8.197 1.00 0.00 H new ATOM 743 N MET A 46 8.722 -10.942 9.547 1.00 0.00 N ATOM 744 CA MET A 46 8.032 -10.368 10.678 1.00 0.00 C ATOM 745 C MET A 46 7.531 -11.548 11.476 1.00 0.00 C ATOM 746 O MET A 46 8.133 -12.619 11.449 1.00 0.00 O ATOM 747 CB MET A 46 6.857 -9.462 10.214 1.00 0.00 C ATOM 748 CG MET A 46 6.389 -8.395 11.231 1.00 0.00 C ATOM 749 SD MET A 46 4.611 -8.446 11.642 1.00 0.00 S ATOM 750 CE MET A 46 3.998 -8.126 9.963 1.00 0.00 C ATOM 0 H MET A 46 8.188 -11.672 9.076 1.00 0.00 H new ATOM 0 HA MET A 46 8.686 -9.729 11.271 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.154 -8.956 9.295 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.008 -10.099 9.967 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.962 -8.515 12.150 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.626 -7.408 10.834 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.991 -7.713 10.016 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.656 -7.414 9.465 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.979 -9.058 9.399 1.00 0.00 H new ATOM 760 N LYS A 47 6.396 -11.372 12.196 1.00 0.00 N ATOM 761 CA LYS A 47 5.671 -12.412 12.880 1.00 0.00 C ATOM 762 C LYS A 47 4.711 -12.980 11.869 1.00 0.00 C ATOM 763 O LYS A 47 5.129 -13.695 10.959 1.00 0.00 O ATOM 764 CB LYS A 47 4.904 -11.875 14.120 1.00 0.00 C ATOM 765 CG LYS A 47 5.811 -11.496 15.305 1.00 0.00 C ATOM 766 CD LYS A 47 6.454 -12.692 16.036 1.00 0.00 C ATOM 767 CE LYS A 47 5.432 -13.599 16.743 1.00 0.00 C ATOM 768 NZ LYS A 47 6.099 -14.695 17.485 1.00 0.00 N ATOM 0 H LYS A 47 5.963 -10.455 12.306 1.00 0.00 H new ATOM 0 HA LYS A 47 6.358 -13.167 13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.325 -11.000 13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.192 -12.632 14.449 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.603 -10.841 14.943 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.226 -10.921 16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.019 -13.286 15.318 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.166 -12.318 16.771 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.832 -13.005 17.432 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.748 -14.021 16.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.381 -15.287 17.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.652 -15.276 16.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.733 -14.292 18.204 1.00 0.00 H new ATOM 782 N ASP A 48 3.400 -12.673 12.001 1.00 0.00 N ATOM 783 CA ASP A 48 2.378 -13.202 11.136 1.00 0.00 C ATOM 784 C ASP A 48 1.790 -12.039 10.399 1.00 0.00 C ATOM 785 O ASP A 48 1.871 -10.893 10.837 1.00 0.00 O ATOM 786 CB ASP A 48 1.237 -13.911 11.908 1.00 0.00 C ATOM 787 CG ASP A 48 1.786 -15.160 12.598 1.00 0.00 C ATOM 788 OD1 ASP A 48 2.181 -16.108 11.868 1.00 0.00 O ATOM 789 OD2 ASP A 48 1.815 -15.182 13.857 1.00 0.00 O ATOM 0 H ASP A 48 3.043 -12.046 12.722 1.00 0.00 H new ATOM 0 HA ASP A 48 2.831 -13.945 10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.808 -13.234 12.646 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.435 -14.184 11.222 1.00 0.00 H new ATOM 794 N LYS A 49 1.160 -12.339 9.239 1.00 0.00 N ATOM 795 CA LYS A 49 0.408 -11.382 8.465 1.00 0.00 C ATOM 796 C LYS A 49 -1.009 -11.402 8.972 1.00 0.00 C ATOM 797 O LYS A 49 -1.714 -10.399 8.884 1.00 0.00 O ATOM 798 CB LYS A 49 0.337 -11.736 6.961 1.00 0.00 C ATOM 799 CG LYS A 49 1.691 -11.770 6.237 1.00 0.00 C ATOM 800 CD LYS A 49 1.555 -11.889 4.704 1.00 0.00 C ATOM 801 CE LYS A 49 0.844 -13.167 4.226 1.00 0.00 C ATOM 802 NZ LYS A 49 0.725 -13.206 2.748 1.00 0.00 N ATOM 0 H LYS A 49 1.173 -13.272 8.827 1.00 0.00 H new ATOM 0 HA LYS A 49 0.904 -10.417 8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.139 -12.711 6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.306 -11.011 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.248 -10.864 6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.275 -12.611 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.008 -11.023 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.550 -11.853 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.396 -14.042 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.149 -13.221 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.241 -14.081 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.177 -12.384 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.674 -13.180 2.323 1.00 0.00 H new ATOM 816 N SER A 50 -1.435 -12.572 9.516 1.00 0.00 N ATOM 817 CA SER A 50 -2.785 -12.937 9.885 1.00 0.00 C ATOM 818 C SER A 50 -3.400 -12.032 10.920 1.00 0.00 C ATOM 819 O SER A 50 -4.619 -11.892 10.977 1.00 0.00 O ATOM 820 CB SER A 50 -2.836 -14.374 10.454 1.00 0.00 C ATOM 821 OG SER A 50 -2.199 -15.284 9.566 1.00 0.00 O ATOM 0 H SER A 50 -0.777 -13.326 9.714 1.00 0.00 H new ATOM 0 HA SER A 50 -3.354 -12.849 8.960 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.346 -14.404 11.427 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.872 -14.673 10.609 1.00 0.00 H new ATOM 0 HG SER A 50 -2.238 -16.189 9.941 1.00 0.00 H new ATOM 827 N GLU A 51 -2.547 -11.379 11.745 1.00 0.00 N ATOM 828 CA GLU A 51 -2.910 -10.421 12.764 1.00 0.00 C ATOM 829 C GLU A 51 -3.620 -9.240 12.150 1.00 0.00 C ATOM 830 O GLU A 51 -4.629 -8.756 12.661 1.00 0.00 O ATOM 831 CB GLU A 51 -1.644 -9.871 13.468 1.00 0.00 C ATOM 832 CG GLU A 51 -0.807 -10.961 14.162 1.00 0.00 C ATOM 833 CD GLU A 51 0.510 -10.360 14.653 1.00 0.00 C ATOM 834 OE1 GLU A 51 0.457 -9.430 15.501 1.00 0.00 O ATOM 835 OE2 GLU A 51 1.585 -10.821 14.183 1.00 0.00 O ATOM 0 H GLU A 51 -1.539 -11.529 11.698 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.556 -10.935 13.476 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.022 -9.359 12.733 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.942 -9.127 14.207 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.362 -11.381 15.001 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.609 -11.779 13.469 1.00 0.00 H new ATOM 842 N TRP A 52 -3.073 -8.768 11.012 1.00 0.00 N ATOM 843 CA TRP A 52 -3.485 -7.570 10.337 1.00 0.00 C ATOM 844 C TRP A 52 -4.549 -7.892 9.325 1.00 0.00 C ATOM 845 O TRP A 52 -5.427 -7.070 9.081 1.00 0.00 O ATOM 846 CB TRP A 52 -2.291 -6.902 9.619 1.00 0.00 C ATOM 847 CG TRP A 52 -1.087 -6.706 10.522 1.00 0.00 C ATOM 848 CD1 TRP A 52 0.079 -7.419 10.559 1.00 0.00 C ATOM 849 CD2 TRP A 52 -1.004 -5.738 11.585 1.00 0.00 C ATOM 850 NE1 TRP A 52 0.891 -6.955 11.567 1.00 0.00 N ATOM 851 CE2 TRP A 52 0.251 -5.915 12.205 1.00 0.00 C ATOM 852 CE3 TRP A 52 -1.897 -4.769 12.031 1.00 0.00 C ATOM 853 CZ2 TRP A 52 0.638 -5.112 13.274 1.00 0.00 C ATOM 854 CZ3 TRP A 52 -1.499 -3.948 13.095 1.00 0.00 C ATOM 855 CH2 TRP A 52 -0.249 -4.116 13.708 1.00 0.00 C ATOM 0 H TRP A 52 -2.306 -9.245 10.539 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.879 -6.881 11.084 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.001 -7.513 8.764 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.605 -5.935 9.227 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.327 -8.231 9.892 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.814 -7.320 11.803 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.867 -4.653 11.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.594 -5.252 13.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.165 -3.174 13.448 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.035 -3.470 14.525 1.00 0.00 H new ATOM 866 N GLU A 53 -4.504 -9.110 8.726 1.00 0.00 N ATOM 867 CA GLU A 53 -5.453 -9.567 7.728 1.00 0.00 C ATOM 868 C GLU A 53 -6.827 -9.739 8.319 1.00 0.00 C ATOM 869 O GLU A 53 -7.822 -9.404 7.679 1.00 0.00 O ATOM 870 CB GLU A 53 -5.081 -10.934 7.104 1.00 0.00 C ATOM 871 CG GLU A 53 -3.845 -10.896 6.190 1.00 0.00 C ATOM 872 CD GLU A 53 -3.595 -12.302 5.644 1.00 0.00 C ATOM 873 OE1 GLU A 53 -4.494 -12.829 4.934 1.00 0.00 O ATOM 874 OE2 GLU A 53 -2.513 -12.874 5.939 1.00 0.00 O ATOM 0 H GLU A 53 -3.785 -9.801 8.941 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.432 -8.794 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.904 -11.650 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.932 -11.302 6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.003 -10.195 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.975 -10.546 6.746 1.00 0.00 H new ATOM 881 N ALA A 54 -6.906 -10.266 9.563 1.00 0.00 N ATOM 882 CA ALA A 54 -8.149 -10.546 10.244 1.00 0.00 C ATOM 883 C ALA A 54 -8.860 -9.271 10.604 1.00 0.00 C ATOM 884 O ALA A 54 -10.078 -9.170 10.470 1.00 0.00 O ATOM 885 CB ALA A 54 -7.923 -11.343 11.543 1.00 0.00 C ATOM 0 H ALA A 54 -6.082 -10.505 10.114 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.751 -11.138 9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.882 -11.533 12.025 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.440 -12.292 11.308 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.286 -10.769 12.216 1.00 0.00 H new ATOM 891 N LYS A 55 -8.088 -8.253 11.049 1.00 0.00 N ATOM 892 CA LYS A 55 -8.599 -6.970 11.469 1.00 0.00 C ATOM 893 C LYS A 55 -9.045 -6.166 10.271 1.00 0.00 C ATOM 894 O LYS A 55 -10.044 -5.454 10.333 1.00 0.00 O ATOM 895 CB LYS A 55 -7.533 -6.187 12.269 1.00 0.00 C ATOM 896 CG LYS A 55 -8.047 -4.880 12.895 1.00 0.00 C ATOM 897 CD LYS A 55 -7.122 -4.296 13.978 1.00 0.00 C ATOM 898 CE LYS A 55 -5.737 -3.877 13.467 1.00 0.00 C ATOM 899 NZ LYS A 55 -4.927 -3.290 14.561 1.00 0.00 N ATOM 0 H LYS A 55 -7.073 -8.323 11.120 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.457 -7.142 12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.146 -6.828 13.061 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.697 -5.956 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.178 -4.139 12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.030 -5.060 13.330 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.608 -3.430 14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.996 -5.035 14.769 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.221 -4.742 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.846 -3.152 12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.994 -3.014 14.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.412 -2.452 14.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.806 -3.992 15.319 1.00 0.00 H new ATOM 913 N ALA A 56 -8.319 -6.303 9.136 1.00 0.00 N ATOM 914 CA ALA A 56 -8.601 -5.629 7.888 1.00 0.00 C ATOM 915 C ALA A 56 -9.860 -6.156 7.250 1.00 0.00 C ATOM 916 O ALA A 56 -10.590 -5.406 6.606 1.00 0.00 O ATOM 917 CB ALA A 56 -7.458 -5.816 6.870 1.00 0.00 C ATOM 0 H ALA A 56 -7.500 -6.909 9.083 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.714 -4.574 8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.706 -5.296 5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.535 -5.407 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.324 -6.878 6.664 1.00 0.00 H new ATOM 923 N ALA A 57 -10.145 -7.466 7.435 1.00 0.00 N ATOM 924 CA ALA A 57 -11.291 -8.141 6.870 1.00 0.00 C ATOM 925 C ALA A 57 -12.556 -7.713 7.563 1.00 0.00 C ATOM 926 O ALA A 57 -13.587 -7.524 6.921 1.00 0.00 O ATOM 927 CB ALA A 57 -11.178 -9.672 6.996 1.00 0.00 C ATOM 0 H ALA A 57 -9.557 -8.080 7.999 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.320 -7.867 5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.060 -10.139 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.287 -10.016 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.106 -9.946 8.049 1.00 0.00 H new ATOM 933 N LYS A 58 -12.490 -7.530 8.903 1.00 0.00 N ATOM 934 CA LYS A 58 -13.614 -7.110 9.710 1.00 0.00 C ATOM 935 C LYS A 58 -13.878 -5.639 9.526 1.00 0.00 C ATOM 936 O LYS A 58 -15.018 -5.198 9.659 1.00 0.00 O ATOM 937 CB LYS A 58 -13.388 -7.376 11.217 1.00 0.00 C ATOM 938 CG LYS A 58 -13.331 -8.871 11.588 1.00 0.00 C ATOM 939 CD LYS A 58 -14.667 -9.612 11.410 1.00 0.00 C ATOM 940 CE LYS A 58 -14.604 -11.071 11.883 1.00 0.00 C ATOM 941 NZ LYS A 58 -15.907 -11.752 11.697 1.00 0.00 N ATOM 0 H LYS A 58 -11.636 -7.677 9.441 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.468 -7.698 9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.456 -6.900 11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.190 -6.902 11.783 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.573 -9.358 10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.011 -8.965 12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.445 -9.088 11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.954 -9.587 10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.831 -11.603 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.321 -11.103 12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.834 -12.736 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.639 -11.257 12.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.164 -11.741 10.689 1.00 0.00 H new ATOM 955 N ALA A 59 -12.834 -4.848 9.184 1.00 0.00 N ATOM 956 CA ALA A 59 -12.946 -3.432 8.920 1.00 0.00 C ATOM 957 C ALA A 59 -13.606 -3.197 7.586 1.00 0.00 C ATOM 958 O ALA A 59 -14.302 -2.202 7.399 1.00 0.00 O ATOM 959 CB ALA A 59 -11.572 -2.734 8.891 1.00 0.00 C ATOM 0 H ALA A 59 -11.882 -5.202 9.088 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.543 -3.015 9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.708 -1.671 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.079 -2.860 9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.956 -3.176 8.108 1.00 0.00 H new ATOM 965 N LYS A 60 -13.410 -4.137 6.633 1.00 0.00 N ATOM 966 CA LYS A 60 -13.970 -4.085 5.304 1.00 0.00 C ATOM 967 C LYS A 60 -15.431 -4.450 5.349 1.00 0.00 C ATOM 968 O LYS A 60 -16.241 -3.884 4.619 1.00 0.00 O ATOM 969 CB LYS A 60 -13.223 -5.043 4.345 1.00 0.00 C ATOM 970 CG LYS A 60 -13.569 -4.853 2.860 1.00 0.00 C ATOM 971 CD LYS A 60 -12.748 -5.768 1.937 1.00 0.00 C ATOM 972 CE LYS A 60 -12.966 -5.502 0.439 1.00 0.00 C ATOM 973 NZ LYS A 60 -14.378 -5.719 0.045 1.00 0.00 N ATOM 0 H LYS A 60 -12.839 -4.967 6.793 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.858 -3.068 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.150 -4.904 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.449 -6.071 4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.630 -5.051 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.396 -3.814 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.690 -5.644 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.002 -6.806 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.676 -4.478 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.320 -6.158 -0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.484 -5.547 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.652 -6.699 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.990 -5.064 0.572 1.00 0.00 H new ATOM 987 N ASP A 61 -15.792 -5.397 6.246 1.00 0.00 N ATOM 988 CA ASP A 61 -17.140 -5.874 6.457 1.00 0.00 C ATOM 989 C ASP A 61 -17.965 -4.789 7.114 1.00 0.00 C ATOM 990 O ASP A 61 -19.114 -4.561 6.740 1.00 0.00 O ATOM 991 CB ASP A 61 -17.130 -7.161 7.328 1.00 0.00 C ATOM 992 CG ASP A 61 -18.514 -7.801 7.456 1.00 0.00 C ATOM 993 OD1 ASP A 61 -19.146 -8.064 6.396 1.00 0.00 O ATOM 994 OD2 ASP A 61 -18.949 -8.043 8.612 1.00 0.00 O ATOM 0 H ASP A 61 -15.113 -5.854 6.855 1.00 0.00 H new ATOM 0 HA ASP A 61 -17.587 -6.122 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.440 -7.883 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.753 -6.919 8.322 1.00 0.00 H new ATOM 999 N ASP A 62 -17.356 -4.069 8.091 1.00 0.00 N ATOM 1000 CA ASP A 62 -17.946 -2.959 8.810 1.00 0.00 C ATOM 1001 C ASP A 62 -18.262 -1.839 7.850 1.00 0.00 C ATOM 1002 O ASP A 62 -19.385 -1.343 7.829 1.00 0.00 O ATOM 1003 CB ASP A 62 -16.996 -2.428 9.923 1.00 0.00 C ATOM 1004 CG ASP A 62 -17.667 -1.361 10.798 1.00 0.00 C ATOM 1005 OD1 ASP A 62 -18.646 -1.710 11.507 1.00 0.00 O ATOM 1006 OD2 ASP A 62 -17.204 -0.189 10.763 1.00 0.00 O ATOM 0 H ASP A 62 -16.404 -4.270 8.396 1.00 0.00 H new ATOM 0 HA ASP A 62 -18.860 -3.318 9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.674 -3.259 10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.101 -2.009 9.464 1.00 0.00 H new ATOM 1011 N TYR A 63 -17.266 -1.452 7.015 1.00 0.00 N ATOM 1012 CA TYR A 63 -17.337 -0.380 6.047 1.00 0.00 C ATOM 1013 C TYR A 63 -18.462 -0.599 5.070 1.00 0.00 C ATOM 1014 O TYR A 63 -19.294 0.286 4.890 1.00 0.00 O ATOM 1015 CB TYR A 63 -16.001 -0.255 5.262 1.00 0.00 C ATOM 1016 CG TYR A 63 -15.992 0.838 4.213 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -16.169 2.188 4.565 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -15.755 0.514 2.865 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -16.074 3.195 3.596 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -15.658 1.518 1.894 1.00 0.00 C ATOM 1021 CZ TYR A 63 -15.810 2.862 2.261 1.00 0.00 C ATOM 1022 OH TYR A 63 -15.688 3.880 1.289 1.00 0.00 O ATOM 0 H TYR A 63 -16.357 -1.914 7.015 1.00 0.00 H new ATOM 0 HA TYR A 63 -17.521 0.541 6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -15.194 -0.069 5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -15.787 -1.208 4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.380 2.451 5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -15.647 -0.521 2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -16.204 4.229 3.878 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -15.466 1.257 0.864 1.00 0.00 H new ATOM 0 HH TYR A 63 -15.504 3.477 0.415 1.00 0.00 H new ATOM 1032 N ASP A 64 -18.499 -1.790 4.426 1.00 0.00 N ATOM 1033 CA ASP A 64 -19.399 -2.108 3.339 1.00 0.00 C ATOM 1034 C ASP A 64 -20.838 -2.001 3.774 1.00 0.00 C ATOM 1035 O ASP A 64 -21.652 -1.411 3.070 1.00 0.00 O ATOM 1036 CB ASP A 64 -19.138 -3.529 2.767 1.00 0.00 C ATOM 1037 CG ASP A 64 -19.932 -3.770 1.478 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -19.696 -3.025 0.490 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -20.792 -4.691 1.472 1.00 0.00 O ATOM 0 H ASP A 64 -17.880 -2.563 4.670 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.206 -1.378 2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -18.073 -3.653 2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -19.413 -4.278 3.510 1.00 0.00 H new ATOM 1044 N ARG A 65 -21.172 -2.553 4.960 1.00 0.00 N ATOM 1045 CA ARG A 65 -22.525 -2.606 5.455 1.00 0.00 C ATOM 1046 C ARG A 65 -22.976 -1.253 5.955 1.00 0.00 C ATOM 1047 O ARG A 65 -24.132 -0.872 5.781 1.00 0.00 O ATOM 1048 CB ARG A 65 -22.650 -3.655 6.584 1.00 0.00 C ATOM 1049 CG ARG A 65 -24.097 -4.039 6.937 1.00 0.00 C ATOM 1050 CD ARG A 65 -24.167 -5.246 7.885 1.00 0.00 C ATOM 1051 NE ARG A 65 -25.600 -5.672 8.053 1.00 0.00 N ATOM 1052 CZ ARG A 65 -26.421 -5.219 9.050 1.00 0.00 C ATOM 1053 NH1 ARG A 65 -25.990 -4.299 9.961 1.00 0.00 N ATOM 1054 NH2 ARG A 65 -27.699 -5.700 9.133 1.00 0.00 N ATOM 0 H ARG A 65 -20.489 -2.972 5.591 1.00 0.00 H new ATOM 0 HA ARG A 65 -23.170 -2.899 4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -22.110 -4.555 6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -22.161 -3.269 7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -24.594 -3.187 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -24.643 -4.267 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -23.576 -6.070 7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -23.738 -4.987 8.853 1.00 0.00 H new ATOM 0 HE ARG A 65 -25.983 -6.339 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -25.039 -3.935 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -26.619 -3.975 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -28.030 -6.388 8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -28.321 -5.371 9.871 1.00 0.00 H new ATOM 1068 N ALA A 66 -22.049 -0.488 6.580 1.00 0.00 N ATOM 1069 CA ALA A 66 -22.346 0.752 7.258 1.00 0.00 C ATOM 1070 C ALA A 66 -22.639 1.891 6.320 1.00 0.00 C ATOM 1071 O ALA A 66 -23.405 2.783 6.677 1.00 0.00 O ATOM 1072 CB ALA A 66 -21.187 1.215 8.162 1.00 0.00 C ATOM 0 H ALA A 66 -21.061 -0.739 6.615 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.233 0.521 7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.458 2.151 8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -20.990 0.455 8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.292 1.366 7.558 1.00 0.00 H new ATOM 1078 N VAL A 67 -22.042 1.903 5.101 1.00 0.00 N ATOM 1079 CA VAL A 67 -22.160 3.028 4.191 1.00 0.00 C ATOM 1080 C VAL A 67 -23.516 3.109 3.532 1.00 0.00 C ATOM 1081 O VAL A 67 -23.856 4.148 2.972 1.00 0.00 O ATOM 1082 CB VAL A 67 -21.074 3.108 3.125 1.00 0.00 C ATOM 1083 CG1 VAL A 67 -19.743 3.477 3.813 1.00 0.00 C ATOM 1084 CG2 VAL A 67 -20.996 1.804 2.306 1.00 0.00 C ATOM 0 H VAL A 67 -21.476 1.134 4.742 1.00 0.00 H new ATOM 0 HA VAL A 67 -22.026 3.889 4.846 1.00 0.00 H new ATOM 0 HB VAL A 67 -21.311 3.886 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -18.952 3.539 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -19.847 4.440 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -19.489 2.713 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -20.212 1.893 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.769 0.970 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.952 1.626 1.814 1.00 0.00 H new ATOM 1094 N LYS A 68 -24.347 2.041 3.613 1.00 0.00 N ATOM 1095 CA LYS A 68 -25.704 2.072 3.106 1.00 0.00 C ATOM 1096 C LYS A 68 -26.554 2.892 4.039 1.00 0.00 C ATOM 1097 O LYS A 68 -27.436 3.622 3.592 1.00 0.00 O ATOM 1098 CB LYS A 68 -26.378 0.681 2.962 1.00 0.00 C ATOM 1099 CG LYS A 68 -25.858 -0.178 1.792 1.00 0.00 C ATOM 1100 CD LYS A 68 -24.552 -0.930 2.081 1.00 0.00 C ATOM 1101 CE LYS A 68 -24.093 -1.866 0.950 1.00 0.00 C ATOM 1102 NZ LYS A 68 -23.653 -1.104 -0.242 1.00 0.00 N ATOM 0 H LYS A 68 -24.080 1.150 4.031 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.633 2.497 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -26.236 0.128 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -27.451 0.825 2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -26.626 -0.902 1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.707 0.466 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -23.764 -0.203 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -24.678 -1.515 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -23.275 -2.493 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -24.910 -2.534 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.350 -1.766 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -24.442 -0.525 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.858 -0.485 0.016 1.00 0.00 H new ATOM 1116 N GLU A 69 -26.283 2.796 5.361 1.00 0.00 N ATOM 1117 CA GLU A 69 -27.027 3.470 6.399 1.00 0.00 C ATOM 1118 C GLU A 69 -26.558 4.897 6.529 1.00 0.00 C ATOM 1119 O GLU A 69 -27.329 5.787 6.883 1.00 0.00 O ATOM 1120 CB GLU A 69 -26.844 2.780 7.775 1.00 0.00 C ATOM 1121 CG GLU A 69 -27.098 1.259 7.754 1.00 0.00 C ATOM 1122 CD GLU A 69 -28.503 0.955 7.238 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -29.484 1.398 7.894 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -28.613 0.277 6.181 1.00 0.00 O ATOM 0 H GLU A 69 -25.517 2.228 5.723 1.00 0.00 H new ATOM 0 HA GLU A 69 -28.079 3.431 6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.830 2.964 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.521 3.241 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -26.358 0.770 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -26.977 0.851 8.757 1.00 0.00 H new ATOM 1131 N PHE A 70 -25.260 5.135 6.228 1.00 0.00 N ATOM 1132 CA PHE A 70 -24.600 6.417 6.316 1.00 0.00 C ATOM 1133 C PHE A 70 -25.108 7.299 5.202 1.00 0.00 C ATOM 1134 O PHE A 70 -25.572 8.411 5.444 1.00 0.00 O ATOM 1135 CB PHE A 70 -23.060 6.231 6.195 1.00 0.00 C ATOM 1136 CG PHE A 70 -22.252 7.481 6.442 1.00 0.00 C ATOM 1137 CD1 PHE A 70 -22.387 8.215 7.633 1.00 0.00 C ATOM 1138 CD2 PHE A 70 -21.298 7.897 5.493 1.00 0.00 C ATOM 1139 CE1 PHE A 70 -21.593 9.346 7.868 1.00 0.00 C ATOM 1140 CE2 PHE A 70 -20.504 9.026 5.726 1.00 0.00 C ATOM 1141 CZ PHE A 70 -20.653 9.751 6.914 1.00 0.00 C ATOM 0 H PHE A 70 -24.636 4.395 5.906 1.00 0.00 H new ATOM 0 HA PHE A 70 -24.815 6.881 7.279 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -22.744 5.465 6.903 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -22.830 5.858 5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -23.109 7.905 8.374 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -21.178 7.339 4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -21.707 9.905 8.785 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -19.777 9.337 4.990 1.00 0.00 H new ATOM 0 HZ PHE A 70 -20.042 10.623 7.094 1.00 0.00 H new ATOM 1151 N GLU A 71 -25.054 6.782 3.951 1.00 0.00 N ATOM 1152 CA GLU A 71 -25.451 7.496 2.761 1.00 0.00 C ATOM 1153 C GLU A 71 -26.895 7.200 2.438 1.00 0.00 C ATOM 1154 O GLU A 71 -27.313 7.277 1.284 1.00 0.00 O ATOM 1155 CB GLU A 71 -24.565 7.123 1.547 1.00 0.00 C ATOM 1156 CG GLU A 71 -23.070 7.393 1.806 1.00 0.00 C ATOM 1157 CD GLU A 71 -22.251 7.006 0.576 1.00 0.00 C ATOM 1158 OE1 GLU A 71 -22.482 7.612 -0.504 1.00 0.00 O ATOM 1159 OE2 GLU A 71 -21.381 6.104 0.702 1.00 0.00 O ATOM 0 H GLU A 71 -24.723 5.836 3.761 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.326 8.560 2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -24.705 6.069 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.889 7.692 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.917 8.447 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.733 6.823 2.672 1.00 0.00 H new