USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.133 (180deg=-0.951) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= -0.0678 (180deg=-0.699) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 36 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.16) USER MOD Single : A 38 ASN : amide:sc= -2.21! K(o=-2.2!,f=-0.38) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= -0.0888 (180deg=-0.614) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.6!) USER MOD Single : A 57 SER OG : rot -104:sc= 0.882 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.43) USER MOD Single : A 64 GLN : amide:sc= -3.85! C(o=-3.9!,f=-10!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.086 -17.522 4.412 1.00 0.00 N ATOM 143 CA HIS A 11 0.231 -16.625 3.305 1.00 0.00 C ATOM 144 C HIS A 11 1.638 -16.059 3.462 1.00 0.00 C ATOM 145 O HIS A 11 2.498 -16.674 4.092 1.00 0.00 O ATOM 146 CB HIS A 11 -0.786 -15.478 3.234 1.00 0.00 C ATOM 147 CG HIS A 11 -2.097 -15.791 3.888 1.00 0.00 C ATOM 148 ND1 HIS A 11 -2.517 -15.117 5.010 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.033 -16.709 3.547 1.00 0.00 C ATOM 150 CE1 HIS A 11 -3.690 -15.635 5.325 1.00 0.00 C ATOM 151 NE2 HIS A 11 -4.045 -16.604 4.466 1.00 0.00 N ATOM 0 HA HIS A 11 0.182 -17.198 2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.357 -14.594 3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.963 -15.226 2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.990 -17.392 2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.288 -15.319 6.167 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -4.902 -17.156 4.492 1.00 0.00 H new ATOM 159 N ILE A 12 1.860 -14.880 2.894 1.00 0.00 N ATOM 160 CA ILE A 12 3.157 -14.226 2.979 1.00 0.00 C ATOM 161 C ILE A 12 3.449 -13.816 4.413 1.00 0.00 C ATOM 162 O ILE A 12 2.529 -13.607 5.206 1.00 0.00 O ATOM 163 CB ILE A 12 3.204 -12.969 2.091 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.623 -12.403 2.033 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.242 -11.916 2.619 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.173 -12.311 0.627 1.00 0.00 C ATOM 0 H ILE A 12 1.158 -14.358 2.370 1.00 0.00 H new ATOM 0 HA ILE A 12 3.906 -14.939 2.634 1.00 0.00 H new ATOM 0 HB ILE A 12 2.902 -13.249 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.630 -11.411 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.282 -13.030 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.285 -11.032 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.228 -12.316 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.523 -11.644 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.183 -11.902 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.198 -13.305 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.535 -11.660 0.029 1.00 0.00 H new ATOM 178 N SER A 13 4.728 -13.683 4.739 1.00 0.00 N ATOM 179 CA SER A 13 5.120 -13.275 6.076 1.00 0.00 C ATOM 180 C SER A 13 4.466 -11.943 6.419 1.00 0.00 C ATOM 181 O SER A 13 3.809 -11.809 7.451 1.00 0.00 O ATOM 182 CB SER A 13 6.642 -13.154 6.173 1.00 0.00 C ATOM 183 OG SER A 13 7.230 -14.388 6.543 1.00 0.00 O ATOM 0 H SER A 13 5.505 -13.851 4.099 1.00 0.00 H new ATOM 0 HA SER A 13 4.788 -14.031 6.787 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.046 -12.829 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.903 -12.390 6.905 1.00 0.00 H new ATOM 0 HG SER A 13 8.203 -14.284 6.596 1.00 0.00 H new ATOM 189 N LYS A 14 4.652 -10.963 5.535 1.00 0.00 N ATOM 190 CA LYS A 14 4.081 -9.635 5.729 1.00 0.00 C ATOM 191 C LYS A 14 4.370 -8.719 4.538 1.00 0.00 C ATOM 192 O LYS A 14 5.443 -8.791 3.936 1.00 0.00 O ATOM 193 CB LYS A 14 4.647 -9.010 7.003 1.00 0.00 C ATOM 194 CG LYS A 14 6.155 -9.151 7.135 1.00 0.00 C ATOM 195 CD LYS A 14 6.856 -7.815 6.948 1.00 0.00 C ATOM 196 CE LYS A 14 8.195 -7.780 7.671 1.00 0.00 C ATOM 197 NZ LYS A 14 8.819 -9.130 7.754 1.00 0.00 N ATOM 0 H LYS A 14 5.195 -11.066 4.677 1.00 0.00 H new ATOM 0 HA LYS A 14 3.000 -9.746 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.387 -7.952 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.171 -9.473 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.399 -9.557 8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.521 -9.863 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.011 -7.630 5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.219 -7.013 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.870 -7.100 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.054 -7.383 8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.848 -9.030 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.431 -9.642 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.614 -9.661 6.884 1.00 0.00 H new ATOM 211 N TYR A 15 3.424 -7.832 4.226 1.00 0.00 N ATOM 212 CA TYR A 15 3.597 -6.873 3.135 1.00 0.00 C ATOM 213 C TYR A 15 3.960 -5.516 3.727 1.00 0.00 C ATOM 214 O TYR A 15 3.426 -5.131 4.765 1.00 0.00 O ATOM 215 CB TYR A 15 2.311 -6.724 2.310 1.00 0.00 C ATOM 216 CG TYR A 15 2.163 -7.693 1.152 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.757 -8.948 1.173 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.413 -7.343 0.034 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.608 -9.825 0.114 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.260 -8.214 -1.027 1.00 0.00 C ATOM 221 CZ TYR A 15 1.860 -9.453 -0.983 1.00 0.00 C ATOM 222 OH TYR A 15 1.710 -10.324 -2.037 1.00 0.00 O ATOM 0 H TYR A 15 2.531 -7.758 4.713 1.00 0.00 H new ATOM 0 HA TYR A 15 4.387 -7.238 2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.457 -6.847 2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.267 -5.708 1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.344 -9.244 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.942 -6.372 -0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.076 -10.798 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.673 -7.925 -1.886 1.00 0.00 H new ATOM 0 HH TYR A 15 1.153 -9.908 -2.728 1.00 0.00 H new ATOM 232 N ILE A 16 4.864 -4.792 3.079 1.00 0.00 N ATOM 233 CA ILE A 16 5.266 -3.485 3.580 1.00 0.00 C ATOM 234 C ILE A 16 4.859 -2.374 2.630 1.00 0.00 C ATOM 235 O ILE A 16 5.098 -2.447 1.427 1.00 0.00 O ATOM 236 CB ILE A 16 6.788 -3.398 3.819 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.182 -4.220 5.051 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.219 -1.943 3.985 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.583 -3.709 6.346 1.00 0.00 C ATOM 0 H ILE A 16 5.327 -5.083 2.218 1.00 0.00 H new ATOM 0 HA ILE A 16 4.750 -3.358 4.532 1.00 0.00 H new ATOM 0 HB ILE A 16 7.300 -3.811 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.871 -5.254 4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.268 -4.224 5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.295 -1.899 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.969 -1.384 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.701 -1.505 4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.908 -4.342 7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.915 -2.686 6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.495 -3.731 6.278 1.00 0.00 H new ATOM 251 N LEU A 17 4.266 -1.334 3.189 1.00 0.00 N ATOM 252 CA LEU A 17 3.851 -0.186 2.407 1.00 0.00 C ATOM 253 C LEU A 17 4.540 1.058 2.940 1.00 0.00 C ATOM 254 O LEU A 17 4.299 1.476 4.074 1.00 0.00 O ATOM 255 CB LEU A 17 2.335 -0.015 2.473 1.00 0.00 C ATOM 256 CG LEU A 17 1.692 0.539 1.201 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.740 -0.482 0.596 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.962 1.841 1.496 1.00 0.00 C ATOM 0 H LEU A 17 4.061 -1.262 4.186 1.00 0.00 H new ATOM 0 HA LEU A 17 4.133 -0.341 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.885 -0.982 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.095 0.650 3.303 1.00 0.00 H new ATOM 0 HG LEU A 17 2.481 0.744 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.292 -0.070 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.290 -1.390 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.045 -0.718 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.511 2.221 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.183 1.662 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.669 2.575 1.883 1.00 0.00 H new ATOM 270 N ARG A 18 5.407 1.642 2.126 1.00 0.00 N ATOM 271 CA ARG A 18 6.135 2.830 2.532 1.00 0.00 C ATOM 272 C ARG A 18 5.651 4.046 1.760 1.00 0.00 C ATOM 273 O ARG A 18 5.582 4.025 0.534 1.00 0.00 O ATOM 274 CB ARG A 18 7.637 2.633 2.318 1.00 0.00 C ATOM 275 CG ARG A 18 8.215 1.466 3.102 1.00 0.00 C ATOM 276 CD ARG A 18 9.097 0.587 2.227 1.00 0.00 C ATOM 277 NE ARG A 18 10.501 0.983 2.291 1.00 0.00 N ATOM 278 CZ ARG A 18 11.283 1.107 1.222 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.801 0.859 0.011 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.548 1.478 1.363 1.00 0.00 N ATOM 0 H ARG A 18 5.621 1.313 1.185 1.00 0.00 H new ATOM 0 HA ARG A 18 5.950 2.998 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.827 2.476 1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.159 3.546 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.797 1.844 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.404 0.869 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.999 -0.452 2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.752 0.641 1.194 1.00 0.00 H new ATOM 0 HE ARG A 18 10.905 1.175 3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.829 0.572 -0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.403 0.955 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.923 1.669 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.146 1.573 0.542 1.00 0.00 H new ATOM 294 N TRP A 19 5.326 5.111 2.482 1.00 0.00 N ATOM 295 CA TRP A 19 4.858 6.329 1.839 1.00 0.00 C ATOM 296 C TRP A 19 5.385 7.574 2.540 1.00 0.00 C ATOM 297 O TRP A 19 5.461 7.632 3.768 1.00 0.00 O ATOM 298 CB TRP A 19 3.324 6.348 1.752 1.00 0.00 C ATOM 299 CG TRP A 19 2.638 6.885 2.971 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.336 8.191 3.235 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.155 6.128 4.086 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.702 8.292 4.450 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.579 7.038 4.992 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.157 4.767 4.406 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.010 6.631 6.195 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.591 4.365 5.601 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.025 5.293 6.484 1.00 0.00 C ATOM 0 H TRP A 19 5.377 5.156 3.500 1.00 0.00 H new ATOM 0 HA TRP A 19 5.255 6.338 0.824 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.029 6.948 0.891 1.00 0.00 H new ATOM 0 HB3 TRP A 19 2.971 5.333 1.569 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.562 9.022 2.584 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.376 9.158 4.879 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.592 4.044 3.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.572 7.345 6.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.585 3.316 5.859 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.592 4.946 7.411 1.00 0.00 H new ATOM 318 N ARG A 20 5.753 8.565 1.736 1.00 0.00 N ATOM 319 CA ARG A 20 6.282 9.822 2.242 1.00 0.00 C ATOM 320 C ARG A 20 5.969 10.950 1.262 1.00 0.00 C ATOM 321 O ARG A 20 5.960 10.739 0.049 1.00 0.00 O ATOM 322 CB ARG A 20 7.798 9.703 2.472 1.00 0.00 C ATOM 323 CG ARG A 20 8.629 10.789 1.800 1.00 0.00 C ATOM 324 CD ARG A 20 9.096 10.360 0.416 1.00 0.00 C ATOM 325 NE ARG A 20 10.459 10.803 0.132 1.00 0.00 N ATOM 326 CZ ARG A 20 10.751 11.843 -0.646 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.778 12.541 -1.217 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.015 12.183 -0.855 1.00 0.00 N ATOM 0 H ARG A 20 5.693 8.518 0.719 1.00 0.00 H new ATOM 0 HA ARG A 20 5.808 10.052 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.992 9.726 3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.132 8.731 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.039 11.702 1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.494 11.023 2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.045 9.274 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.420 10.766 -0.336 1.00 0.00 H new ATOM 0 HE ARG A 20 11.231 10.286 0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.804 12.281 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.004 13.338 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.766 11.647 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.237 12.980 -1.451 1.00 0.00 H new ATOM 342 N PRO A 21 5.698 12.163 1.772 1.00 0.00 N ATOM 343 CA PRO A 21 5.373 13.313 0.924 1.00 0.00 C ATOM 344 C PRO A 21 6.467 13.608 -0.096 1.00 0.00 C ATOM 345 O PRO A 21 7.602 13.919 0.262 1.00 0.00 O ATOM 346 CB PRO A 21 5.248 14.468 1.921 1.00 0.00 C ATOM 347 CG PRO A 21 4.918 13.811 3.213 1.00 0.00 C ATOM 348 CD PRO A 21 5.662 12.507 3.204 1.00 0.00 C ATOM 0 HA PRO A 21 4.472 13.142 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.176 15.035 1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.468 15.168 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.222 14.430 4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.844 13.649 3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.664 12.610 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.149 11.745 3.791 1.00 0.00 H new ATOM 356 N LYS A 22 6.105 13.501 -1.368 1.00 0.00 N ATOM 357 CA LYS A 22 7.039 13.750 -2.466 1.00 0.00 C ATOM 358 C LYS A 22 7.607 15.164 -2.398 1.00 0.00 C ATOM 359 O LYS A 22 8.628 15.463 -3.017 1.00 0.00 O ATOM 360 CB LYS A 22 6.335 13.540 -3.809 1.00 0.00 C ATOM 361 CG LYS A 22 6.313 12.089 -4.264 1.00 0.00 C ATOM 362 CD LYS A 22 7.662 11.658 -4.820 1.00 0.00 C ATOM 363 CE LYS A 22 7.860 12.150 -6.245 1.00 0.00 C ATOM 364 NZ LYS A 22 9.284 12.490 -6.521 1.00 0.00 N ATOM 0 H LYS A 22 5.166 13.242 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 22 7.865 13.045 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.310 13.904 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.832 14.143 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.042 11.448 -3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.545 11.957 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.459 12.046 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.736 10.571 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.528 11.382 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.237 13.028 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.378 12.821 -7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.594 13.240 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.876 11.646 -6.383 1.00 0.00 H new ATOM 378 N ASN A 23 6.938 16.033 -1.646 1.00 0.00 N ATOM 379 CA ASN A 23 7.375 17.418 -1.505 1.00 0.00 C ATOM 380 C ASN A 23 8.394 17.562 -0.376 1.00 0.00 C ATOM 381 O ASN A 23 9.125 18.550 -0.309 1.00 0.00 O ATOM 382 CB ASN A 23 6.173 18.330 -1.248 1.00 0.00 C ATOM 383 CG ASN A 23 5.439 17.980 0.032 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.941 18.211 1.132 1.00 0.00 O ATOM 385 ND2 ASN A 23 4.243 17.421 -0.107 1.00 0.00 N ATOM 0 H ASN A 23 6.092 15.803 -1.125 1.00 0.00 H new ATOM 0 HA ASN A 23 7.855 17.716 -2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.511 19.365 -1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.483 18.261 -2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.701 17.165 0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.866 17.248 -1.039 1.00 0.00 H new ATOM 392 N SER A 24 8.433 16.572 0.511 1.00 0.00 N ATOM 393 CA SER A 24 9.359 16.586 1.638 1.00 0.00 C ATOM 394 C SER A 24 10.736 16.071 1.227 1.00 0.00 C ATOM 395 O SER A 24 11.035 15.946 0.039 1.00 0.00 O ATOM 396 CB SER A 24 8.806 15.734 2.784 1.00 0.00 C ATOM 397 OG SER A 24 8.798 16.458 4.002 1.00 0.00 O ATOM 0 H SER A 24 7.833 15.748 0.470 1.00 0.00 H new ATOM 0 HA SER A 24 9.466 17.618 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.793 15.410 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.411 14.834 2.897 1.00 0.00 H new ATOM 0 HG SER A 24 8.439 15.892 4.717 1.00 0.00 H new ATOM 403 N VAL A 25 11.572 15.773 2.221 1.00 0.00 N ATOM 404 CA VAL A 25 12.918 15.269 1.971 1.00 0.00 C ATOM 405 C VAL A 25 12.994 13.764 2.214 1.00 0.00 C ATOM 406 O VAL A 25 13.833 13.073 1.635 1.00 0.00 O ATOM 407 CB VAL A 25 13.957 15.971 2.869 1.00 0.00 C ATOM 408 CG1 VAL A 25 14.120 17.429 2.465 1.00 0.00 C ATOM 409 CG2 VAL A 25 13.563 15.856 4.334 1.00 0.00 C ATOM 0 H VAL A 25 11.338 15.873 3.209 1.00 0.00 H new ATOM 0 HA VAL A 25 13.146 15.481 0.926 1.00 0.00 H new ATOM 0 HB VAL A 25 14.918 15.474 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.857 17.905 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.455 17.484 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.164 17.943 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.308 16.357 4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.591 16.324 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.508 14.804 4.614 1.00 0.00 H new ATOM 419 N GLY A 26 12.112 13.266 3.075 1.00 0.00 N ATOM 420 CA GLY A 26 12.093 11.848 3.384 1.00 0.00 C ATOM 421 C GLY A 26 11.081 11.504 4.458 1.00 0.00 C ATOM 422 O GLY A 26 9.913 11.880 4.361 1.00 0.00 O ATOM 0 H GLY A 26 11.409 13.820 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.864 11.285 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.085 11.537 3.711 1.00 0.00 H new ATOM 426 N ARG A 27 11.533 10.788 5.484 1.00 0.00 N ATOM 427 CA ARG A 27 10.663 10.389 6.586 1.00 0.00 C ATOM 428 C ARG A 27 9.480 9.572 6.075 1.00 0.00 C ATOM 429 O ARG A 27 8.325 9.979 6.203 1.00 0.00 O ATOM 430 CB ARG A 27 10.164 11.622 7.345 1.00 0.00 C ATOM 431 CG ARG A 27 11.023 11.987 8.547 1.00 0.00 C ATOM 432 CD ARG A 27 12.374 12.541 8.123 1.00 0.00 C ATOM 433 NE ARG A 27 13.367 12.444 9.190 1.00 0.00 N ATOM 434 CZ ARG A 27 13.989 11.315 9.522 1.00 0.00 C ATOM 435 NH1 ARG A 27 13.723 10.190 8.871 1.00 0.00 N ATOM 436 NH2 ARG A 27 14.880 11.312 10.505 1.00 0.00 N ATOM 0 H ARG A 27 12.498 10.472 5.575 1.00 0.00 H new ATOM 0 HA ARG A 27 11.242 9.766 7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.131 12.470 6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.142 11.443 7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.502 12.725 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.170 11.105 9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.729 11.998 7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.261 13.584 7.827 1.00 0.00 H new ATOM 0 HE ARG A 27 13.597 13.290 9.711 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.040 10.188 8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.202 9.327 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.089 12.175 11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.356 10.447 10.759 1.00 0.00 H new ATOM 450 N TRP A 28 9.782 8.414 5.496 1.00 0.00 N ATOM 451 CA TRP A 28 8.754 7.529 4.961 1.00 0.00 C ATOM 452 C TRP A 28 7.839 7.018 6.070 1.00 0.00 C ATOM 453 O TRP A 28 7.994 7.381 7.236 1.00 0.00 O ATOM 454 CB TRP A 28 9.399 6.339 4.246 1.00 0.00 C ATOM 455 CG TRP A 28 10.010 6.687 2.921 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.253 7.208 2.704 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.410 6.530 1.630 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.462 7.385 1.358 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.345 6.977 0.678 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.172 6.055 1.187 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.081 6.962 -0.690 1.00 0.00 C ATOM 462 CZ3 TRP A 28 7.911 6.041 -0.172 1.00 0.00 C ATOM 463 CH2 TRP A 28 8.862 6.492 -1.095 1.00 0.00 C ATOM 0 H TRP A 28 10.734 8.066 5.385 1.00 0.00 H new ATOM 0 HA TRP A 28 8.157 8.102 4.251 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.169 5.914 4.890 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.646 5.565 4.096 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.968 7.446 3.478 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.311 7.759 0.934 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.433 5.705 1.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 10.812 7.309 -1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.958 5.676 -0.526 1.00 0.00 H new ATOM 0 HH2 TRP A 28 8.628 6.468 -2.149 1.00 0.00 H new ATOM 474 N LYS A 29 6.898 6.159 5.696 1.00 0.00 N ATOM 475 CA LYS A 29 5.964 5.575 6.648 1.00 0.00 C ATOM 476 C LYS A 29 5.897 4.070 6.433 1.00 0.00 C ATOM 477 O LYS A 29 6.145 3.594 5.327 1.00 0.00 O ATOM 478 CB LYS A 29 4.576 6.200 6.492 1.00 0.00 C ATOM 479 CG LYS A 29 4.414 7.507 7.249 1.00 0.00 C ATOM 480 CD LYS A 29 3.871 7.276 8.648 1.00 0.00 C ATOM 481 CE LYS A 29 4.550 8.180 9.663 1.00 0.00 C ATOM 482 NZ LYS A 29 4.668 9.579 9.170 1.00 0.00 N ATOM 0 H LYS A 29 6.762 5.851 4.733 1.00 0.00 H new ATOM 0 HA LYS A 29 6.313 5.777 7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.381 6.375 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.825 5.491 6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.377 8.015 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.741 8.165 6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.796 7.459 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.020 6.234 8.930 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.983 8.170 10.594 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.542 7.790 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.658 10.234 9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.560 9.688 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.868 9.794 8.541 1.00 0.00 H new ATOM 496 N GLU A 30 5.584 3.320 7.486 1.00 0.00 N ATOM 497 CA GLU A 30 5.522 1.864 7.378 1.00 0.00 C ATOM 498 C GLU A 30 4.140 1.315 7.723 1.00 0.00 C ATOM 499 O GLU A 30 3.538 1.684 8.733 1.00 0.00 O ATOM 500 CB GLU A 30 6.572 1.216 8.287 1.00 0.00 C ATOM 501 CG GLU A 30 7.875 1.994 8.380 1.00 0.00 C ATOM 502 CD GLU A 30 8.169 2.467 9.790 1.00 0.00 C ATOM 503 OE1 GLU A 30 7.266 3.060 10.418 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.302 2.246 10.269 1.00 0.00 O ATOM 0 H GLU A 30 5.372 3.689 8.413 1.00 0.00 H new ATOM 0 HA GLU A 30 5.729 1.615 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.154 1.107 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.786 0.212 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.695 1.366 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.829 2.855 7.713 1.00 0.00 H new ATOM 511 N ALA A 31 3.662 0.410 6.875 1.00 0.00 N ATOM 512 CA ALA A 31 2.368 -0.240 7.060 1.00 0.00 C ATOM 513 C ALA A 31 2.479 -1.711 6.674 1.00 0.00 C ATOM 514 O ALA A 31 2.803 -2.033 5.531 1.00 0.00 O ATOM 515 CB ALA A 31 1.300 0.452 6.227 1.00 0.00 C ATOM 0 H ALA A 31 4.161 0.106 6.039 1.00 0.00 H new ATOM 0 HA ALA A 31 2.078 -0.167 8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.342 -0.046 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.219 1.495 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.573 0.403 5.173 1.00 0.00 H new ATOM 521 N THR A 32 2.243 -2.604 7.631 1.00 0.00 N ATOM 522 CA THR A 32 2.361 -4.035 7.366 1.00 0.00 C ATOM 523 C THR A 32 1.013 -4.742 7.277 1.00 0.00 C ATOM 524 O THR A 32 0.195 -4.674 8.194 1.00 0.00 O ATOM 525 CB THR A 32 3.202 -4.741 8.440 1.00 0.00 C ATOM 526 OG1 THR A 32 4.485 -4.113 8.554 1.00 0.00 O ATOM 527 CG2 THR A 32 3.375 -6.212 8.092 1.00 0.00 C ATOM 0 H THR A 32 1.972 -2.367 8.585 1.00 0.00 H new ATOM 0 HA THR A 32 2.853 -4.102 6.396 1.00 0.00 H new ATOM 0 HB THR A 32 2.682 -4.663 9.395 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.013 -4.569 9.242 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.973 -6.700 8.862 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.397 -6.690 8.035 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.879 -6.301 7.130 1.00 0.00 H new ATOM 535 N ILE A 33 0.815 -5.452 6.169 1.00 0.00 N ATOM 536 CA ILE A 33 -0.403 -6.222 5.944 1.00 0.00 C ATOM 537 C ILE A 33 -0.057 -7.559 5.283 1.00 0.00 C ATOM 538 O ILE A 33 0.254 -7.600 4.098 1.00 0.00 O ATOM 539 CB ILE A 33 -1.404 -5.469 5.040 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.084 -3.973 4.993 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.831 -5.692 5.519 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.390 -3.545 3.719 1.00 0.00 C ATOM 0 H ILE A 33 1.490 -5.509 5.407 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.869 -6.382 6.916 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.310 -5.868 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.010 -3.408 5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.453 -3.717 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.521 -5.154 4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.062 -6.757 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.933 -5.326 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.194 -2.473 3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.552 -4.084 3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.028 -3.769 2.864 1.00 0.00 H new ATOM 554 N PRO A 34 -0.100 -8.674 6.031 1.00 0.00 N ATOM 555 CA PRO A 34 0.223 -9.996 5.482 1.00 0.00 C ATOM 556 C PRO A 34 -0.837 -10.504 4.513 1.00 0.00 C ATOM 557 O PRO A 34 -1.932 -10.891 4.923 1.00 0.00 O ATOM 558 CB PRO A 34 0.285 -10.891 6.716 1.00 0.00 C ATOM 559 CG PRO A 34 -0.590 -10.217 7.713 1.00 0.00 C ATOM 560 CD PRO A 34 -0.447 -8.741 7.463 1.00 0.00 C ATOM 0 HA PRO A 34 1.147 -9.976 4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.069 -11.898 6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.306 -10.987 7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.627 -10.533 7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.290 -10.471 8.730 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.371 -8.205 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.331 -8.300 8.087 1.00 0.00 H new ATOM 568 N GLY A 35 -0.502 -10.505 3.226 1.00 0.00 N ATOM 569 CA GLY A 35 -1.434 -10.971 2.216 1.00 0.00 C ATOM 570 C GLY A 35 -2.640 -10.063 2.080 1.00 0.00 C ATOM 571 O GLY A 35 -3.418 -9.911 3.022 1.00 0.00 O ATOM 0 H GLY A 35 0.399 -10.191 2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.922 -11.037 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.767 -11.977 2.469 1.00 0.00 H new ATOM 575 N HIS A 36 -2.792 -9.459 0.904 1.00 0.00 N ATOM 576 CA HIS A 36 -3.912 -8.557 0.638 1.00 0.00 C ATOM 577 C HIS A 36 -5.225 -9.166 1.117 1.00 0.00 C ATOM 578 O HIS A 36 -5.787 -10.052 0.473 1.00 0.00 O ATOM 579 CB HIS A 36 -4.002 -8.233 -0.857 1.00 0.00 C ATOM 580 CG HIS A 36 -3.521 -9.340 -1.744 1.00 0.00 C ATOM 581 ND1 HIS A 36 -2.564 -9.121 -2.703 1.00 0.00 N ATOM 582 CD2 HIS A 36 -3.891 -10.643 -1.774 1.00 0.00 C ATOM 583 CE1 HIS A 36 -2.371 -10.288 -3.293 1.00 0.00 C ATOM 584 NE2 HIS A 36 -3.153 -11.241 -2.763 1.00 0.00 N ATOM 0 H HIS A 36 -2.153 -9.578 0.118 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.735 -7.633 1.189 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.037 -8.002 -1.108 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.417 -7.336 -1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.625 -11.119 -1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.672 -10.454 -4.100 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.191 -12.221 -3.042 1.00 0.00 H new ATOM 592 N LEU A 37 -5.704 -8.684 2.257 1.00 0.00 N ATOM 593 CA LEU A 37 -6.947 -9.176 2.836 1.00 0.00 C ATOM 594 C LEU A 37 -8.149 -8.519 2.168 1.00 0.00 C ATOM 595 O LEU A 37 -9.204 -9.136 2.017 1.00 0.00 O ATOM 596 CB LEU A 37 -6.966 -8.907 4.343 1.00 0.00 C ATOM 597 CG LEU A 37 -5.606 -9.026 5.038 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.469 -7.978 6.132 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.418 -10.422 5.607 1.00 0.00 C ATOM 0 H LEU A 37 -5.249 -7.951 2.800 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.006 -10.251 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.358 -7.904 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.660 -9.604 4.813 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.826 -8.850 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.496 -8.079 6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.556 -6.983 5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.257 -8.120 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.446 -10.487 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.205 -10.628 6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.468 -11.153 4.800 1.00 0.00 H new ATOM 611 N ASN A 38 -7.973 -7.264 1.766 1.00 0.00 N ATOM 612 CA ASN A 38 -9.029 -6.501 1.108 1.00 0.00 C ATOM 613 C ASN A 38 -8.529 -5.105 0.750 1.00 0.00 C ATOM 614 O ASN A 38 -7.321 -4.872 0.676 1.00 0.00 O ATOM 615 CB ASN A 38 -10.260 -6.400 2.014 1.00 0.00 C ATOM 616 CG ASN A 38 -10.072 -5.397 3.137 1.00 0.00 C ATOM 617 OD1 ASN A 38 -10.967 -4.606 3.432 1.00 0.00 O ATOM 618 ND2 ASN A 38 -8.904 -5.426 3.767 1.00 0.00 N ATOM 0 H ASN A 38 -7.100 -6.750 1.886 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.310 -7.021 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.125 -6.114 1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.476 -7.380 2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.720 -4.775 4.530 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.191 -6.100 3.488 1.00 0.00 H new ATOM 625 N SER A 39 -9.455 -4.177 0.539 1.00 0.00 N ATOM 626 CA SER A 39 -9.090 -2.808 0.201 1.00 0.00 C ATOM 627 C SER A 39 -8.632 -2.058 1.446 1.00 0.00 C ATOM 628 O SER A 39 -9.446 -1.681 2.291 1.00 0.00 O ATOM 629 CB SER A 39 -10.273 -2.083 -0.445 1.00 0.00 C ATOM 630 OG SER A 39 -10.325 -2.335 -1.837 1.00 0.00 O ATOM 0 H SER A 39 -10.459 -4.347 0.596 1.00 0.00 H new ATOM 0 HA SER A 39 -8.267 -2.838 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.202 -2.409 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.187 -1.011 -0.269 1.00 0.00 H new ATOM 0 HG SER A 39 -11.090 -1.862 -2.227 1.00 0.00 H new ATOM 636 N TYR A 40 -7.326 -1.847 1.556 1.00 0.00 N ATOM 637 CA TYR A 40 -6.759 -1.147 2.701 1.00 0.00 C ATOM 638 C TYR A 40 -6.585 0.338 2.398 1.00 0.00 C ATOM 639 O TYR A 40 -5.790 0.720 1.538 1.00 0.00 O ATOM 640 CB TYR A 40 -5.418 -1.769 3.098 1.00 0.00 C ATOM 641 CG TYR A 40 -4.909 -1.302 4.444 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.196 -0.115 4.565 1.00 0.00 C ATOM 643 CD2 TYR A 40 -5.142 -2.048 5.593 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.732 0.316 5.792 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.682 -1.621 6.825 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.978 -0.439 6.918 1.00 0.00 C ATOM 647 OH TYR A 40 -3.518 -0.013 8.143 1.00 0.00 O ATOM 0 H TYR A 40 -6.640 -2.151 0.865 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.452 -1.247 3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.521 -2.854 3.114 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.676 -1.530 2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.002 0.480 3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.691 -2.976 5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.179 1.240 5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.873 -2.210 7.710 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.777 -0.659 8.833 1.00 0.00 H new ATOM 657 N THR A 41 -7.337 1.170 3.113 1.00 0.00 N ATOM 658 CA THR A 41 -7.275 2.614 2.927 1.00 0.00 C ATOM 659 C THR A 41 -6.387 3.264 3.982 1.00 0.00 C ATOM 660 O THR A 41 -6.307 2.795 5.117 1.00 0.00 O ATOM 661 CB THR A 41 -8.679 3.248 2.989 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.613 4.622 2.591 1.00 0.00 O ATOM 663 CG2 THR A 41 -9.262 3.151 4.393 1.00 0.00 C ATOM 0 H THR A 41 -7.998 0.866 3.828 1.00 0.00 H new ATOM 0 HA THR A 41 -6.849 2.790 1.939 1.00 0.00 H new ATOM 0 HB THR A 41 -9.328 2.700 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.509 5.018 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.252 3.606 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.339 2.103 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.612 3.674 5.094 1.00 0.00 H new ATOM 671 N ILE A 42 -5.719 4.348 3.599 1.00 0.00 N ATOM 672 CA ILE A 42 -4.837 5.061 4.515 1.00 0.00 C ATOM 673 C ILE A 42 -5.529 6.290 5.095 1.00 0.00 C ATOM 674 O ILE A 42 -5.849 7.227 4.365 1.00 0.00 O ATOM 675 CB ILE A 42 -3.535 5.493 3.810 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.746 4.264 3.355 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.686 6.363 4.728 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.365 4.300 1.892 1.00 0.00 C ATOM 0 H ILE A 42 -5.772 4.750 2.663 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.590 4.375 5.325 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.799 6.083 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.841 4.180 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.339 3.370 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.773 6.656 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.248 7.255 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.429 5.802 5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.808 3.398 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.267 4.353 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.745 5.175 1.699 1.00 0.00 H new ATOM 690 N LYS A 43 -5.739 6.263 6.416 1.00 0.00 N ATOM 691 CA LYS A 43 -6.384 7.354 7.155 1.00 0.00 C ATOM 692 C LYS A 43 -7.178 8.293 6.243 1.00 0.00 C ATOM 693 O LYS A 43 -8.345 8.040 5.946 1.00 0.00 O ATOM 694 CB LYS A 43 -5.337 8.149 7.941 1.00 0.00 C ATOM 695 CG LYS A 43 -4.194 7.296 8.474 1.00 0.00 C ATOM 696 CD LYS A 43 -4.647 6.405 9.621 1.00 0.00 C ATOM 697 CE LYS A 43 -4.829 4.964 9.170 1.00 0.00 C ATOM 698 NZ LYS A 43 -4.463 3.995 10.240 1.00 0.00 N ATOM 0 H LYS A 43 -5.464 5.478 7.006 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.094 6.897 7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.928 8.928 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.826 8.649 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.794 6.679 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.384 7.942 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.913 6.445 10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.586 6.782 10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.866 4.804 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.215 4.780 8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.601 3.025 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.466 4.129 10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.066 4.153 11.073 1.00 0.00 H new ATOM 712 N GLY A 44 -6.537 9.374 5.806 1.00 0.00 N ATOM 713 CA GLY A 44 -7.196 10.331 4.937 1.00 0.00 C ATOM 714 C GLY A 44 -6.299 11.500 4.580 1.00 0.00 C ATOM 715 O GLY A 44 -6.056 12.380 5.406 1.00 0.00 O ATOM 0 H GLY A 44 -5.571 9.604 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.515 9.829 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.096 10.703 5.427 1.00 0.00 H new ATOM 719 N LEU A 45 -5.804 11.507 3.346 1.00 0.00 N ATOM 720 CA LEU A 45 -4.925 12.573 2.880 1.00 0.00 C ATOM 721 C LEU A 45 -5.711 13.859 2.636 1.00 0.00 C ATOM 722 O LEU A 45 -6.910 13.924 2.912 1.00 0.00 O ATOM 723 CB LEU A 45 -4.190 12.136 1.602 1.00 0.00 C ATOM 724 CG LEU A 45 -3.459 10.789 1.692 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.871 10.576 3.080 1.00 0.00 C ATOM 726 CD2 LEU A 45 -4.397 9.650 1.327 1.00 0.00 C ATOM 0 H LEU A 45 -5.997 10.786 2.651 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.186 12.773 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.912 12.085 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.466 12.907 1.338 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.635 10.803 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.359 9.614 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.161 11.373 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.671 10.588 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.863 8.702 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.243 9.641 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.759 9.789 0.308 1.00 0.00 H new ATOM 738 N LYS A 46 -5.034 14.882 2.120 1.00 0.00 N ATOM 739 CA LYS A 46 -5.679 16.163 1.844 1.00 0.00 C ATOM 740 C LYS A 46 -5.026 16.862 0.651 1.00 0.00 C ATOM 741 O LYS A 46 -3.901 16.536 0.271 1.00 0.00 O ATOM 742 CB LYS A 46 -5.624 17.071 3.079 1.00 0.00 C ATOM 743 CG LYS A 46 -4.718 16.558 4.188 1.00 0.00 C ATOM 744 CD LYS A 46 -4.079 17.703 4.951 1.00 0.00 C ATOM 745 CE LYS A 46 -3.409 17.219 6.225 1.00 0.00 C ATOM 746 NZ LYS A 46 -4.380 16.575 7.153 1.00 0.00 N ATOM 0 H LYS A 46 -4.042 14.849 1.885 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.722 15.965 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.283 18.060 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.633 17.190 3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.295 15.938 4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.941 15.924 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.343 18.198 4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.838 18.445 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.621 16.509 5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.931 18.061 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.001 16.596 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.283 17.090 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.535 15.588 6.863 1.00 0.00 H new ATOM 760 N PRO A 47 -5.732 17.832 0.036 1.00 0.00 N ATOM 761 CA PRO A 47 -5.219 18.572 -1.125 1.00 0.00 C ATOM 762 C PRO A 47 -3.880 19.247 -0.853 1.00 0.00 C ATOM 763 O PRO A 47 -3.587 19.641 0.276 1.00 0.00 O ATOM 764 CB PRO A 47 -6.298 19.629 -1.386 1.00 0.00 C ATOM 765 CG PRO A 47 -7.536 19.076 -0.771 1.00 0.00 C ATOM 766 CD PRO A 47 -7.085 18.278 0.418 1.00 0.00 C ATOM 0 HA PRO A 47 -5.035 17.907 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.029 20.586 -0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.431 19.802 -2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.213 19.875 -0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.077 18.449 -1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.068 18.883 1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.747 17.434 0.610 1.00 0.00 H new ATOM 774 N GLY A 48 -3.073 19.385 -1.903 1.00 0.00 N ATOM 775 CA GLY A 48 -1.775 20.023 -1.771 1.00 0.00 C ATOM 776 C GLY A 48 -0.735 19.126 -1.127 1.00 0.00 C ATOM 777 O GLY A 48 0.423 19.517 -0.982 1.00 0.00 O ATOM 0 H GLY A 48 -3.297 19.065 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.424 20.327 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.881 20.931 -1.177 1.00 0.00 H new ATOM 781 N VAL A 49 -1.144 17.922 -0.735 1.00 0.00 N ATOM 782 CA VAL A 49 -0.230 16.978 -0.101 1.00 0.00 C ATOM 783 C VAL A 49 -0.113 15.684 -0.899 1.00 0.00 C ATOM 784 O VAL A 49 -1.066 14.909 -0.983 1.00 0.00 O ATOM 785 CB VAL A 49 -0.673 16.631 1.335 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.538 16.336 2.207 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.513 17.749 1.935 1.00 0.00 C ATOM 0 H VAL A 49 -2.098 17.579 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 49 0.741 17.473 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.294 15.736 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.208 16.093 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.088 15.492 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.186 17.212 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.811 17.477 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.928 18.668 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.402 17.904 1.324 1.00 0.00 H new ATOM 797 N VAL A 50 1.066 15.445 -1.468 1.00 0.00 N ATOM 798 CA VAL A 50 1.306 14.230 -2.239 1.00 0.00 C ATOM 799 C VAL A 50 1.864 13.135 -1.352 1.00 0.00 C ATOM 800 O VAL A 50 2.598 13.404 -0.401 1.00 0.00 O ATOM 801 CB VAL A 50 2.286 14.453 -3.412 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.052 13.178 -3.733 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.542 14.906 -4.640 1.00 0.00 C ATOM 0 H VAL A 50 1.867 16.074 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 50 0.339 13.936 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 50 2.994 15.225 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.735 13.363 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.621 12.865 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.350 12.392 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.247 15.059 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.815 14.146 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.025 15.842 -4.428 1.00 0.00 H new ATOM 813 N TYR A 51 1.529 11.899 -1.681 1.00 0.00 N ATOM 814 CA TYR A 51 2.024 10.766 -0.916 1.00 0.00 C ATOM 815 C TYR A 51 2.404 9.614 -1.835 1.00 0.00 C ATOM 816 O TYR A 51 1.540 8.943 -2.398 1.00 0.00 O ATOM 817 CB TYR A 51 0.987 10.319 0.113 1.00 0.00 C ATOM 818 CG TYR A 51 0.880 11.257 1.294 1.00 0.00 C ATOM 819 CD1 TYR A 51 1.917 11.372 2.212 1.00 0.00 C ATOM 820 CD2 TYR A 51 -0.256 12.029 1.489 1.00 0.00 C ATOM 821 CE1 TYR A 51 1.824 12.230 3.291 1.00 0.00 C ATOM 822 CE2 TYR A 51 -0.358 12.890 2.565 1.00 0.00 C ATOM 823 CZ TYR A 51 0.684 12.987 3.463 1.00 0.00 C ATOM 824 OH TYR A 51 0.585 13.842 4.537 1.00 0.00 O ATOM 0 H TYR A 51 0.923 11.655 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 51 2.921 11.081 -0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.014 10.242 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.245 9.322 0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.811 10.781 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.074 11.956 0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.639 12.307 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.249 13.484 2.702 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.280 14.301 4.511 1.00 0.00 H new ATOM 834 N GLU A 52 3.708 9.390 -1.978 1.00 0.00 N ATOM 835 CA GLU A 52 4.209 8.319 -2.823 1.00 0.00 C ATOM 836 C GLU A 52 4.304 7.035 -2.014 1.00 0.00 C ATOM 837 O GLU A 52 4.872 7.027 -0.926 1.00 0.00 O ATOM 838 CB GLU A 52 5.578 8.707 -3.394 1.00 0.00 C ATOM 839 CG GLU A 52 6.462 7.528 -3.762 1.00 0.00 C ATOM 840 CD GLU A 52 6.164 6.984 -5.145 1.00 0.00 C ATOM 841 OE1 GLU A 52 5.253 6.139 -5.267 1.00 0.00 O ATOM 842 OE2 GLU A 52 6.841 7.406 -6.107 1.00 0.00 O ATOM 0 H GLU A 52 4.434 9.939 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 52 3.524 8.156 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.427 9.323 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.101 9.324 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.507 7.833 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.327 6.735 -3.027 1.00 0.00 H new ATOM 849 N GLY A 53 3.731 5.959 -2.538 1.00 0.00 N ATOM 850 CA GLY A 53 3.752 4.698 -1.826 1.00 0.00 C ATOM 851 C GLY A 53 4.500 3.603 -2.557 1.00 0.00 C ATOM 852 O GLY A 53 4.503 3.548 -3.783 1.00 0.00 O ATOM 0 H GLY A 53 3.254 5.937 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.210 4.850 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.727 4.372 -1.651 1.00 0.00 H new ATOM 856 N GLN A 54 5.124 2.723 -1.785 1.00 0.00 N ATOM 857 CA GLN A 54 5.873 1.601 -2.331 1.00 0.00 C ATOM 858 C GLN A 54 5.505 0.330 -1.582 1.00 0.00 C ATOM 859 O GLN A 54 5.759 0.215 -0.384 1.00 0.00 O ATOM 860 CB GLN A 54 7.378 1.855 -2.224 1.00 0.00 C ATOM 861 CG GLN A 54 7.987 2.461 -3.477 1.00 0.00 C ATOM 862 CD GLN A 54 9.283 1.787 -3.880 1.00 0.00 C ATOM 863 OE1 GLN A 54 9.423 0.569 -3.776 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.242 2.580 -4.346 1.00 0.00 N ATOM 0 H GLN A 54 5.125 2.767 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 54 5.618 1.487 -3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.566 2.520 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.882 0.913 -2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.272 2.386 -4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.170 3.522 -3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.084 3.585 -4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.137 2.183 -4.634 1.00 0.00 H new ATOM 873 N LEU A 55 4.901 -0.621 -2.281 1.00 0.00 N ATOM 874 CA LEU A 55 4.502 -1.869 -1.649 1.00 0.00 C ATOM 875 C LEU A 55 5.519 -2.965 -1.930 1.00 0.00 C ATOM 876 O LEU A 55 5.611 -3.478 -3.044 1.00 0.00 O ATOM 877 CB LEU A 55 3.116 -2.302 -2.134 1.00 0.00 C ATOM 878 CG LEU A 55 2.651 -3.672 -1.634 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.723 -3.745 -0.116 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.236 -3.959 -2.111 1.00 0.00 C ATOM 0 H LEU A 55 4.679 -0.554 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 55 4.459 -1.702 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.389 -1.553 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.116 -2.311 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 55 3.318 -4.430 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.388 -4.727 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.751 -3.583 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.081 -2.977 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.921 -4.937 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.561 -3.194 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.211 -3.952 -3.201 1.00 0.00 H new ATOM 892 N ILE A 56 6.280 -3.312 -0.902 1.00 0.00 N ATOM 893 CA ILE A 56 7.297 -4.341 -1.016 1.00 0.00 C ATOM 894 C ILE A 56 6.914 -5.569 -0.190 1.00 0.00 C ATOM 895 O ILE A 56 6.830 -5.502 1.036 1.00 0.00 O ATOM 896 CB ILE A 56 8.672 -3.813 -0.555 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.166 -2.703 -1.495 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.685 -4.948 -0.494 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.587 -1.334 -1.187 1.00 0.00 C ATOM 0 H ILE A 56 6.210 -2.892 0.025 1.00 0.00 H new ATOM 0 HA ILE A 56 7.366 -4.625 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 56 8.562 -3.394 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.253 -2.648 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.914 -2.971 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.649 -4.558 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.342 -5.705 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.791 -5.395 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.983 -0.604 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.501 -1.370 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.861 -1.043 -0.173 1.00 0.00 H new ATOM 911 N SER A 57 6.681 -6.688 -0.873 1.00 0.00 N ATOM 912 CA SER A 57 6.306 -7.930 -0.207 1.00 0.00 C ATOM 913 C SER A 57 7.536 -8.653 0.324 1.00 0.00 C ATOM 914 O SER A 57 8.539 -8.786 -0.370 1.00 0.00 O ATOM 915 CB SER A 57 5.540 -8.839 -1.168 1.00 0.00 C ATOM 916 OG SER A 57 4.521 -8.122 -1.844 1.00 0.00 O ATOM 0 H SER A 57 6.746 -6.758 -1.889 1.00 0.00 H new ATOM 0 HA SER A 57 5.661 -7.681 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.230 -9.269 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.100 -9.669 -0.616 1.00 0.00 H new ATOM 0 HG SER A 57 3.649 -8.352 -1.460 1.00 0.00 H new ATOM 922 N ILE A 58 7.446 -9.098 1.567 1.00 0.00 N ATOM 923 CA ILE A 58 8.539 -9.810 2.225 1.00 0.00 C ATOM 924 C ILE A 58 8.124 -11.206 2.695 1.00 0.00 C ATOM 925 O ILE A 58 7.090 -11.364 3.344 1.00 0.00 O ATOM 926 CB ILE A 58 9.097 -9.015 3.419 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.720 -7.707 2.932 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.125 -9.844 4.178 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.047 -6.475 3.489 1.00 0.00 C ATOM 0 H ILE A 58 6.618 -8.978 2.150 1.00 0.00 H new ATOM 0 HA ILE A 58 9.320 -9.919 1.473 1.00 0.00 H new ATOM 0 HB ILE A 58 8.277 -8.781 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.774 -7.691 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.675 -7.675 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.509 -9.266 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.656 -10.756 4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.947 -10.104 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.541 -5.584 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.998 -6.467 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.115 -6.483 4.577 1.00 0.00 H new ATOM 941 N GLN A 59 8.953 -12.205 2.409 1.00 0.00 N ATOM 942 CA GLN A 59 8.684 -13.572 2.850 1.00 0.00 C ATOM 943 C GLN A 59 9.691 -13.977 3.917 1.00 0.00 C ATOM 944 O GLN A 59 10.507 -13.164 4.350 1.00 0.00 O ATOM 945 CB GLN A 59 8.732 -14.565 1.689 1.00 0.00 C ATOM 946 CG GLN A 59 7.744 -15.712 1.831 1.00 0.00 C ATOM 947 CD GLN A 59 8.045 -16.863 0.892 1.00 0.00 C ATOM 948 OE1 GLN A 59 8.311 -17.982 1.329 1.00 0.00 O ATOM 949 NE2 GLN A 59 8.004 -16.594 -0.407 1.00 0.00 N ATOM 0 H GLN A 59 9.815 -12.096 1.875 1.00 0.00 H new ATOM 0 HA GLN A 59 7.676 -13.595 3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.529 -14.034 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.740 -14.972 1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.759 -16.074 2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.736 -15.344 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.779 -15.652 -0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.197 -17.330 -1.087 1.00 0.00 H new ATOM 958 N GLN A 60 9.630 -15.231 4.340 1.00 0.00 N ATOM 959 CA GLN A 60 10.543 -15.734 5.358 1.00 0.00 C ATOM 960 C GLN A 60 11.991 -15.641 4.881 1.00 0.00 C ATOM 961 O GLN A 60 12.923 -15.703 5.685 1.00 0.00 O ATOM 962 CB GLN A 60 10.200 -17.184 5.709 1.00 0.00 C ATOM 963 CG GLN A 60 10.367 -18.146 4.546 1.00 0.00 C ATOM 964 CD GLN A 60 11.101 -19.414 4.938 1.00 0.00 C ATOM 965 OE1 GLN A 60 12.195 -19.691 4.444 1.00 0.00 O ATOM 966 NE2 GLN A 60 10.501 -20.191 5.831 1.00 0.00 N ATOM 0 H GLN A 60 8.960 -15.918 3.996 1.00 0.00 H new ATOM 0 HA GLN A 60 10.432 -15.117 6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.835 -17.510 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.170 -17.230 6.063 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.385 -18.406 4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.912 -17.649 3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.595 -19.922 6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.946 -21.057 6.134 1.00 0.00 H new ATOM 975 N TYR A 61 12.173 -15.492 3.570 1.00 0.00 N ATOM 976 CA TYR A 61 13.509 -15.390 2.991 1.00 0.00 C ATOM 977 C TYR A 61 13.834 -13.935 2.632 1.00 0.00 C ATOM 978 O TYR A 61 14.961 -13.609 2.257 1.00 0.00 O ATOM 979 CB TYR A 61 13.616 -16.324 1.769 1.00 0.00 C ATOM 980 CG TYR A 61 14.082 -15.672 0.481 1.00 0.00 C ATOM 981 CD1 TYR A 61 15.433 -15.608 0.161 1.00 0.00 C ATOM 982 CD2 TYR A 61 13.169 -15.132 -0.416 1.00 0.00 C ATOM 983 CE1 TYR A 61 15.860 -15.021 -1.016 1.00 0.00 C ATOM 984 CE2 TYR A 61 13.590 -14.543 -1.595 1.00 0.00 C ATOM 985 CZ TYR A 61 14.935 -14.490 -1.889 1.00 0.00 C ATOM 986 OH TYR A 61 15.355 -13.906 -3.061 1.00 0.00 O ATOM 0 H TYR A 61 11.414 -15.439 2.891 1.00 0.00 H new ATOM 0 HA TYR A 61 14.248 -15.709 3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.303 -17.134 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.640 -16.776 1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.161 -16.023 0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.114 -15.173 -0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 61 16.913 -14.979 -1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.868 -14.127 -2.282 1.00 0.00 H new ATOM 0 HH TYR A 61 14.577 -13.583 -3.563 1.00 0.00 H new ATOM 996 N GLY A 62 12.843 -13.060 2.786 1.00 0.00 N ATOM 997 CA GLY A 62 13.039 -11.647 2.501 1.00 0.00 C ATOM 998 C GLY A 62 13.023 -11.334 1.017 1.00 0.00 C ATOM 999 O GLY A 62 13.351 -12.188 0.197 1.00 0.00 O ATOM 0 H GLY A 62 11.905 -13.305 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.258 -11.070 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.990 -11.325 2.924 1.00 0.00 H new ATOM 1003 N HIS A 63 12.644 -10.101 0.677 1.00 0.00 N ATOM 1004 CA HIS A 63 12.588 -9.668 -0.718 1.00 0.00 C ATOM 1005 C HIS A 63 11.647 -10.556 -1.526 1.00 0.00 C ATOM 1006 O HIS A 63 12.032 -11.640 -1.968 1.00 0.00 O ATOM 1007 CB HIS A 63 13.985 -9.689 -1.339 1.00 0.00 C ATOM 1008 CG HIS A 63 14.125 -8.788 -2.527 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.365 -7.651 -2.655 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.939 -8.903 -3.603 1.00 0.00 C ATOM 1011 CE1 HIS A 63 13.730 -7.101 -3.799 1.00 0.00 C ATOM 1012 NE2 HIS A 63 14.683 -7.823 -4.409 1.00 0.00 N ATOM 0 H HIS A 63 12.371 -9.385 1.350 1.00 0.00 H new ATOM 0 HA HIS A 63 12.205 -8.648 -0.739 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.714 -9.397 -0.583 1.00 0.00 H new ATOM 0 HB3 HIS A 63 14.226 -10.709 -1.637 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.652 -9.692 -3.790 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.314 -6.186 -4.194 1.00 0.00 H new ATOM 0 HE2 HIS A 63 15.131 -7.610 -5.300 1.00 0.00 H new ATOM 1020 N GLN A 64 10.412 -10.097 -1.712 1.00 0.00 N ATOM 1021 CA GLN A 64 9.425 -10.868 -2.460 1.00 0.00 C ATOM 1022 C GLN A 64 8.866 -10.094 -3.647 1.00 0.00 C ATOM 1023 O GLN A 64 8.980 -10.530 -4.793 1.00 0.00 O ATOM 1024 CB GLN A 64 8.279 -11.300 -1.546 1.00 0.00 C ATOM 1025 CG GLN A 64 8.426 -12.713 -1.017 1.00 0.00 C ATOM 1026 CD GLN A 64 9.875 -13.141 -0.887 1.00 0.00 C ATOM 1027 OE1 GLN A 64 10.551 -12.797 0.082 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.359 -13.892 -1.865 1.00 0.00 N ATOM 0 H GLN A 64 10.073 -9.202 -1.358 1.00 0.00 H new ATOM 0 HA GLN A 64 9.939 -11.748 -2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.217 -10.610 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.339 -11.221 -2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.942 -12.784 -0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.906 -13.402 -1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.763 -14.154 -2.650 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.328 -14.209 -1.833 1.00 0.00 H new ATOM 1037 N GLU A 65 8.234 -8.961 -3.365 1.00 0.00 N ATOM 1038 CA GLU A 65 7.623 -8.145 -4.409 1.00 0.00 C ATOM 1039 C GLU A 65 7.930 -6.661 -4.225 1.00 0.00 C ATOM 1040 O GLU A 65 8.011 -6.171 -3.104 1.00 0.00 O ATOM 1041 CB GLU A 65 6.110 -8.358 -4.399 1.00 0.00 C ATOM 1042 CG GLU A 65 5.474 -8.301 -5.778 1.00 0.00 C ATOM 1043 CD GLU A 65 4.030 -7.834 -5.742 1.00 0.00 C ATOM 1044 OE1 GLU A 65 3.693 -7.008 -4.866 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.236 -8.296 -6.588 1.00 0.00 O ATOM 0 H GLU A 65 8.131 -8.586 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 65 8.043 -8.455 -5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.892 -9.326 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.650 -7.600 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.052 -7.629 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.520 -9.289 -6.235 1.00 0.00 H new ATOM 1052 N VAL A 66 8.085 -5.947 -5.337 1.00 0.00 N ATOM 1053 CA VAL A 66 8.356 -4.514 -5.296 1.00 0.00 C ATOM 1054 C VAL A 66 7.475 -3.772 -6.296 1.00 0.00 C ATOM 1055 O VAL A 66 7.603 -3.958 -7.506 1.00 0.00 O ATOM 1056 CB VAL A 66 9.832 -4.189 -5.587 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.077 -2.689 -5.479 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.746 -4.955 -4.643 1.00 0.00 C ATOM 0 H VAL A 66 8.027 -6.338 -6.277 1.00 0.00 H new ATOM 0 HA VAL A 66 8.129 -4.184 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 66 10.060 -4.501 -6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.125 -2.476 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.450 -2.165 -6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.832 -2.352 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.785 -4.711 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.520 -4.678 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.589 -6.026 -4.773 1.00 0.00 H new ATOM 1068 N THR A 67 6.579 -2.936 -5.783 1.00 0.00 N ATOM 1069 CA THR A 67 5.674 -2.171 -6.631 1.00 0.00 C ATOM 1070 C THR A 67 5.625 -0.710 -6.201 1.00 0.00 C ATOM 1071 O THR A 67 5.386 -0.405 -5.033 1.00 0.00 O ATOM 1072 CB THR A 67 4.248 -2.756 -6.596 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.266 -4.115 -7.050 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.301 -1.940 -7.464 1.00 0.00 C ATOM 0 H THR A 67 6.460 -2.771 -4.783 1.00 0.00 H new ATOM 0 HA THR A 67 6.060 -2.233 -7.649 1.00 0.00 H new ATOM 0 HB THR A 67 3.891 -2.719 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.357 -4.481 -7.024 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.302 -2.375 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.266 -0.914 -7.099 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.655 -1.946 -8.495 1.00 0.00 H new ATOM 1082 N ARG A 68 5.854 0.191 -7.150 1.00 0.00 N ATOM 1083 CA ARG A 68 5.834 1.621 -6.864 1.00 0.00 C ATOM 1084 C ARG A 68 4.552 2.261 -7.376 1.00 0.00 C ATOM 1085 O ARG A 68 4.145 2.037 -8.516 1.00 0.00 O ATOM 1086 CB ARG A 68 7.047 2.304 -7.491 1.00 0.00 C ATOM 1087 CG ARG A 68 8.307 1.462 -7.433 1.00 0.00 C ATOM 1088 CD ARG A 68 9.388 2.015 -8.348 1.00 0.00 C ATOM 1089 NE ARG A 68 9.198 1.594 -9.733 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.194 1.445 -10.602 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.446 1.683 -10.232 1.00 0.00 N ATOM 1092 NH2 ARG A 68 9.938 1.057 -11.844 1.00 0.00 N ATOM 0 H ARG A 68 6.055 -0.043 -8.122 1.00 0.00 H new ATOM 0 HA ARG A 68 5.873 1.750 -5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.824 2.541 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.227 3.250 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.677 1.429 -6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.075 0.437 -7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.385 3.104 -8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.365 1.682 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 68 8.248 1.403 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.648 1.982 -9.278 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.206 1.567 -10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.977 0.873 -12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.702 0.943 -12.510 1.00 0.00 H new ATOM 1106 N PHE A 69 3.920 3.054 -6.522 1.00 0.00 N ATOM 1107 CA PHE A 69 2.674 3.727 -6.880 1.00 0.00 C ATOM 1108 C PHE A 69 2.455 4.987 -6.045 1.00 0.00 C ATOM 1109 O PHE A 69 2.546 4.958 -4.820 1.00 0.00 O ATOM 1110 CB PHE A 69 1.491 2.769 -6.701 1.00 0.00 C ATOM 1111 CG PHE A 69 1.192 2.435 -5.265 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.072 1.669 -4.516 1.00 0.00 C ATOM 1113 CD2 PHE A 69 0.031 2.893 -4.665 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.797 1.366 -3.197 1.00 0.00 C ATOM 1115 CE2 PHE A 69 -0.250 2.592 -3.345 1.00 0.00 C ATOM 1116 CZ PHE A 69 0.635 1.828 -2.610 1.00 0.00 C ATOM 0 H PHE A 69 4.248 3.249 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 69 2.746 4.027 -7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.604 3.213 -7.153 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.697 1.846 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.982 1.305 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.663 3.493 -5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.490 0.768 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.160 2.954 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.419 1.592 -1.578 1.00 0.00 H new ATOM 1126 N ASP A 70 2.141 6.087 -6.722 1.00 0.00 N ATOM 1127 CA ASP A 70 1.880 7.354 -6.048 1.00 0.00 C ATOM 1128 C ASP A 70 0.381 7.512 -5.841 1.00 0.00 C ATOM 1129 O ASP A 70 -0.411 6.995 -6.627 1.00 0.00 O ATOM 1130 CB ASP A 70 2.424 8.528 -6.868 1.00 0.00 C ATOM 1131 CG ASP A 70 3.517 8.109 -7.830 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.187 7.570 -8.907 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.706 8.320 -7.508 1.00 0.00 O ATOM 0 H ASP A 70 2.061 6.126 -7.738 1.00 0.00 H new ATOM 0 HA ASP A 70 2.386 7.352 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.608 8.985 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.812 9.290 -6.192 1.00 0.00 H new ATOM 1138 N PHE A 71 -0.016 8.206 -4.781 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.435 8.381 -4.506 1.00 0.00 C ATOM 1140 C PHE A 71 -1.736 9.687 -3.769 1.00 0.00 C ATOM 1141 O PHE A 71 -0.932 10.177 -2.968 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.961 7.182 -3.713 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.444 7.107 -2.302 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.240 6.480 -2.023 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.167 7.660 -1.256 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.235 6.408 -0.726 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.697 7.591 0.042 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.495 6.964 0.307 1.00 0.00 C ATOM 0 H PHE A 71 0.612 8.649 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.949 8.440 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.050 7.225 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.690 6.266 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.334 6.043 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.108 8.150 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.175 5.918 -0.521 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.269 8.027 0.848 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.126 6.908 1.321 1.00 0.00 H new ATOM 1158 N THR A 72 -2.917 10.229 -4.055 1.00 0.00 N ATOM 1159 CA THR A 72 -3.395 11.461 -3.449 1.00 0.00 C ATOM 1160 C THR A 72 -4.915 11.420 -3.343 1.00 0.00 C ATOM 1161 O THR A 72 -5.584 10.844 -4.201 1.00 0.00 O ATOM 1162 CB THR A 72 -2.976 12.699 -4.265 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.033 12.407 -5.666 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.569 13.140 -3.890 1.00 0.00 C ATOM 0 H THR A 72 -3.572 9.819 -4.720 1.00 0.00 H new ATOM 0 HA THR A 72 -2.947 11.541 -2.458 1.00 0.00 H new ATOM 0 HB THR A 72 -3.668 13.509 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.767 13.200 -6.177 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.293 14.015 -4.478 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.537 13.390 -2.830 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.868 12.331 -4.093 1.00 0.00 H new