USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=14 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= -0.343 K(o=-0.34,f=-1.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -53:sc= -8.41! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -0.0866 K(o=-0.087,f=-3.2!) USER MOD Single : A 38 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.66) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0525 K(o=-0.053,f=-1.6) USER MOD Single : A 57 SER OG : rot 170:sc= -5.74! USER MOD Single : A 59 GLN : amide:sc= -0.577 K(o=-0.58,f=-4.7!) USER MOD Single : A 60 GLN : amide:sc=-7.23e-05 K(o=-7.2e-05,f=-0.52) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= 0.0846 K(o=0.085,f=-4.9!) USER MOD Single : A 64 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.3) 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 -2.163 -13.864 0.079 1.00 0.00 N ATOM 143 CA HIS A 11 -1.031 -13.288 -0.639 1.00 0.00 C ATOM 144 C HIS A 11 0.289 -13.630 0.058 1.00 0.00 C ATOM 145 O HIS A 11 0.493 -14.765 0.487 1.00 0.00 O ATOM 146 CB HIS A 11 -1.209 -11.768 -0.766 1.00 0.00 C ATOM 147 CG HIS A 11 -2.549 -11.377 -1.304 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.586 -11.035 -0.470 1.00 0.00 N ATOM 149 CD2 HIS A 11 -2.971 -11.302 -2.589 1.00 0.00 C ATOM 150 CE1 HIS A 11 -4.610 -10.761 -1.258 1.00 0.00 C ATOM 151 NE2 HIS A 11 -4.283 -10.910 -2.550 1.00 0.00 N ATOM 0 HA HIS A 11 -0.996 -13.718 -1.640 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.069 -11.309 0.213 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.432 -11.370 -1.419 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.386 -11.511 -3.473 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.585 -10.456 -0.907 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -4.895 -10.760 -3.352 1.00 0.00 H new ATOM 159 N ILE A 12 1.179 -12.647 0.171 1.00 0.00 N ATOM 160 CA ILE A 12 2.469 -12.847 0.815 1.00 0.00 C ATOM 161 C ILE A 12 2.298 -13.103 2.308 1.00 0.00 C ATOM 162 O ILE A 12 1.301 -12.690 2.902 1.00 0.00 O ATOM 163 CB ILE A 12 3.360 -11.602 0.631 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.770 -11.854 1.167 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.731 -10.407 1.331 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.858 -11.569 0.154 1.00 0.00 C ATOM 0 H ILE A 12 1.027 -11.701 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 12 2.938 -13.714 0.349 1.00 0.00 H new ATOM 0 HB ILE A 12 3.440 -11.388 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.932 -11.233 2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.848 -12.892 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.366 -9.531 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.748 -10.211 0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.628 -10.621 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.832 -11.769 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.720 -12.209 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.806 -10.524 -0.151 1.00 0.00 H new ATOM 178 N SER A 13 3.282 -13.762 2.917 1.00 0.00 N ATOM 179 CA SER A 13 3.232 -14.032 4.347 1.00 0.00 C ATOM 180 C SER A 13 2.993 -12.724 5.087 1.00 0.00 C ATOM 181 O SER A 13 2.197 -12.657 6.024 1.00 0.00 O ATOM 182 CB SER A 13 4.534 -14.682 4.822 1.00 0.00 C ATOM 183 OG SER A 13 4.371 -16.078 5.002 1.00 0.00 O ATOM 0 H SER A 13 4.115 -14.115 2.445 1.00 0.00 H new ATOM 0 HA SER A 13 2.418 -14.726 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.324 -14.496 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.851 -14.226 5.760 1.00 0.00 H new ATOM 0 HG SER A 13 5.217 -16.470 5.304 1.00 0.00 H new ATOM 189 N LYS A 14 3.676 -11.678 4.627 1.00 0.00 N ATOM 190 CA LYS A 14 3.538 -10.348 5.202 1.00 0.00 C ATOM 191 C LYS A 14 4.078 -9.306 4.230 1.00 0.00 C ATOM 192 O LYS A 14 5.071 -9.545 3.546 1.00 0.00 O ATOM 193 CB LYS A 14 4.292 -10.264 6.530 1.00 0.00 C ATOM 194 CG LYS A 14 5.761 -10.638 6.415 1.00 0.00 C ATOM 195 CD LYS A 14 6.352 -11.002 7.768 1.00 0.00 C ATOM 196 CE LYS A 14 7.865 -10.855 7.773 1.00 0.00 C ATOM 197 NZ LYS A 14 8.389 -10.554 9.134 1.00 0.00 N ATOM 0 H LYS A 14 4.335 -11.731 3.851 1.00 0.00 H new ATOM 0 HA LYS A 14 2.482 -10.152 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.213 -9.250 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.813 -10.923 7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.871 -11.479 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.317 -9.804 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.921 -10.363 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.084 -12.028 8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.320 -11.774 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.155 -10.058 7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.424 -10.461 9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.974 -9.664 9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.135 -11.326 9.782 1.00 0.00 H new ATOM 211 N TYR A 15 3.431 -8.149 4.169 1.00 0.00 N ATOM 212 CA TYR A 15 3.873 -7.091 3.273 1.00 0.00 C ATOM 213 C TYR A 15 4.162 -5.801 4.058 1.00 0.00 C ATOM 214 O TYR A 15 3.578 -5.571 5.115 1.00 0.00 O ATOM 215 CB TYR A 15 2.819 -6.838 2.181 1.00 0.00 C ATOM 216 CG TYR A 15 2.908 -5.465 1.614 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.857 -5.171 0.663 1.00 0.00 C ATOM 218 CD2 TYR A 15 2.078 -4.458 2.067 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.990 -3.902 0.172 1.00 0.00 C ATOM 220 CE2 TYR A 15 2.192 -3.183 1.575 1.00 0.00 C ATOM 221 CZ TYR A 15 3.154 -2.904 0.632 1.00 0.00 C ATOM 222 OH TYR A 15 3.289 -1.626 0.156 1.00 0.00 O ATOM 0 H TYR A 15 2.606 -7.922 4.724 1.00 0.00 H new ATOM 0 HA TYR A 15 4.798 -7.410 2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.946 -7.567 1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.824 -6.992 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.506 -5.954 0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.332 -4.677 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.743 -3.682 -0.570 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.531 -2.404 1.925 1.00 0.00 H new ATOM 0 HH TYR A 15 4.219 -1.335 0.259 1.00 0.00 H new ATOM 232 N ILE A 16 5.057 -4.961 3.529 1.00 0.00 N ATOM 233 CA ILE A 16 5.403 -3.696 4.179 1.00 0.00 C ATOM 234 C ILE A 16 5.089 -2.517 3.267 1.00 0.00 C ATOM 235 O ILE A 16 5.610 -2.427 2.153 1.00 0.00 O ATOM 236 CB ILE A 16 6.895 -3.634 4.572 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.181 -4.599 5.724 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.290 -2.209 4.960 1.00 0.00 C ATOM 239 CD1 ILE A 16 7.401 -6.027 5.277 1.00 0.00 C ATOM 0 H ILE A 16 5.553 -5.135 2.655 1.00 0.00 H new ATOM 0 HA ILE A 16 4.801 -3.638 5.086 1.00 0.00 H new ATOM 0 HB ILE A 16 7.492 -3.933 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.064 -4.256 6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.347 -4.571 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.345 -2.186 5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.119 -1.541 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.688 -1.883 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.598 -6.654 6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.510 -6.389 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.253 -6.069 4.599 1.00 0.00 H new ATOM 251 N LEU A 17 4.245 -1.613 3.749 1.00 0.00 N ATOM 252 CA LEU A 17 3.868 -0.440 2.976 1.00 0.00 C ATOM 253 C LEU A 17 4.570 0.799 3.506 1.00 0.00 C ATOM 254 O LEU A 17 4.315 1.235 4.627 1.00 0.00 O ATOM 255 CB LEU A 17 2.352 -0.243 3.035 1.00 0.00 C ATOM 256 CG LEU A 17 1.829 1.031 2.369 1.00 0.00 C ATOM 257 CD1 LEU A 17 1.654 0.817 0.872 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.515 1.459 3.003 1.00 0.00 C ATOM 0 H LEU A 17 3.810 -1.671 4.670 1.00 0.00 H new ATOM 0 HA LEU A 17 4.172 -0.595 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.873 -1.102 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.044 -0.239 4.080 1.00 0.00 H new ATOM 0 HG LEU A 17 2.560 1.825 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.281 1.733 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.614 0.554 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.941 0.010 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.156 2.367 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.223 0.666 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.669 1.651 4.065 1.00 0.00 H new ATOM 270 N ARG A 18 5.448 1.364 2.689 1.00 0.00 N ATOM 271 CA ARG A 18 6.184 2.555 3.078 1.00 0.00 C ATOM 272 C ARG A 18 5.833 3.724 2.172 1.00 0.00 C ATOM 273 O ARG A 18 5.863 3.605 0.947 1.00 0.00 O ATOM 274 CB ARG A 18 7.691 2.295 3.046 1.00 0.00 C ATOM 275 CG ARG A 18 8.098 1.136 2.151 1.00 0.00 C ATOM 276 CD ARG A 18 9.097 0.221 2.840 1.00 0.00 C ATOM 277 NE ARG A 18 9.953 0.947 3.775 1.00 0.00 N ATOM 278 CZ ARG A 18 10.544 0.384 4.824 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.377 -0.909 5.069 1.00 0.00 N ATOM 280 NH2 ARG A 18 11.303 1.114 5.631 1.00 0.00 N ATOM 0 H ARG A 18 5.666 1.017 1.755 1.00 0.00 H new ATOM 0 HA ARG A 18 5.898 2.809 4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.198 3.198 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.037 2.097 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.213 0.564 1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.533 1.523 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.561 -0.563 3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.716 -0.270 2.089 1.00 0.00 H new ATOM 0 HE ARG A 18 10.106 1.942 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.794 -1.474 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.832 -1.338 5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.434 2.109 5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.756 0.681 6.436 1.00 0.00 H new ATOM 294 N TRP A 19 5.499 4.855 2.783 1.00 0.00 N ATOM 295 CA TRP A 19 5.142 6.044 2.029 1.00 0.00 C ATOM 296 C TRP A 19 5.707 7.298 2.684 1.00 0.00 C ATOM 297 O TRP A 19 5.966 7.325 3.891 1.00 0.00 O ATOM 298 CB TRP A 19 3.620 6.158 1.894 1.00 0.00 C ATOM 299 CG TRP A 19 2.913 6.409 3.192 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.512 7.617 3.684 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.520 5.430 4.162 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.895 7.450 4.901 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.888 6.117 5.216 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.642 4.039 4.244 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.379 5.463 6.334 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.136 3.391 5.355 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.510 4.103 6.386 1.00 0.00 C ATOM 0 H TRP A 19 5.469 4.971 3.796 1.00 0.00 H new ATOM 0 HA TRP A 19 5.577 5.953 1.034 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.386 6.967 1.202 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.234 5.239 1.453 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.658 8.566 3.189 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.506 8.197 5.476 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.123 3.482 3.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.898 6.010 7.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.225 2.317 5.429 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.123 3.567 7.240 1.00 0.00 H new ATOM 318 N ARG A 20 5.897 8.328 1.865 1.00 0.00 N ATOM 319 CA ARG A 20 6.429 9.606 2.322 1.00 0.00 C ATOM 320 C ARG A 20 6.070 10.702 1.318 1.00 0.00 C ATOM 321 O ARG A 20 6.008 10.447 0.115 1.00 0.00 O ATOM 322 CB ARG A 20 7.953 9.509 2.505 1.00 0.00 C ATOM 323 CG ARG A 20 8.722 10.741 2.045 1.00 0.00 C ATOM 324 CD ARG A 20 9.237 10.577 0.623 1.00 0.00 C ATOM 325 NE ARG A 20 10.660 10.254 0.588 1.00 0.00 N ATOM 326 CZ ARG A 20 11.600 11.108 0.193 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.269 12.333 -0.192 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.873 10.738 0.186 1.00 0.00 N ATOM 0 H ARG A 20 5.687 8.300 0.867 1.00 0.00 H new ATOM 0 HA ARG A 20 5.986 9.858 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.170 9.333 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.318 8.642 1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.075 11.617 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.560 10.921 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.674 9.789 0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.061 11.497 0.066 1.00 0.00 H new ATOM 0 HE ARG A 20 10.950 9.321 0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.291 12.623 -0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.992 12.985 -0.494 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.132 9.798 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.593 11.394 -0.117 1.00 0.00 H new ATOM 342 N PRO A 21 5.825 11.939 1.790 1.00 0.00 N ATOM 343 CA PRO A 21 5.473 13.057 0.908 1.00 0.00 C ATOM 344 C PRO A 21 6.547 13.315 -0.142 1.00 0.00 C ATOM 345 O PRO A 21 7.673 13.688 0.187 1.00 0.00 O ATOM 346 CB PRO A 21 5.358 14.249 1.865 1.00 0.00 C ATOM 347 CG PRO A 21 5.109 13.640 3.201 1.00 0.00 C ATOM 348 CD PRO A 21 5.867 12.347 3.204 1.00 0.00 C ATOM 0 HA PRO A 21 4.560 12.863 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.270 14.845 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.544 14.913 1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.452 14.297 4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.044 13.470 3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.890 12.479 3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.400 11.606 3.853 1.00 0.00 H new ATOM 356 N LYS A 22 6.195 13.100 -1.405 1.00 0.00 N ATOM 357 CA LYS A 22 7.131 13.296 -2.507 1.00 0.00 C ATOM 358 C LYS A 22 7.525 14.764 -2.652 1.00 0.00 C ATOM 359 O LYS A 22 8.665 15.076 -2.997 1.00 0.00 O ATOM 360 CB LYS A 22 6.519 12.790 -3.815 1.00 0.00 C ATOM 361 CG LYS A 22 7.551 12.299 -4.819 1.00 0.00 C ATOM 362 CD LYS A 22 7.292 12.861 -6.208 1.00 0.00 C ATOM 363 CE LYS A 22 7.593 14.351 -6.274 1.00 0.00 C ATOM 364 NZ LYS A 22 7.321 14.914 -7.625 1.00 0.00 N ATOM 0 H LYS A 22 5.267 12.789 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 22 8.032 12.725 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.826 11.979 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.936 13.592 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.548 12.590 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.533 11.210 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.908 12.332 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.252 12.687 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.989 14.876 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.637 14.522 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.539 15.931 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.915 14.431 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.319 14.774 -7.864 1.00 0.00 H new ATOM 378 N ASN A 23 6.577 15.661 -2.397 1.00 0.00 N ATOM 379 CA ASN A 23 6.833 17.095 -2.512 1.00 0.00 C ATOM 380 C ASN A 23 7.302 17.683 -1.185 1.00 0.00 C ATOM 381 O ASN A 23 8.239 18.481 -1.147 1.00 0.00 O ATOM 382 CB ASN A 23 5.572 17.822 -2.979 1.00 0.00 C ATOM 383 CG ASN A 23 5.833 18.733 -4.162 1.00 0.00 C ATOM 384 OD1 ASN A 23 6.005 19.941 -4.004 1.00 0.00 O ATOM 385 ND2 ASN A 23 5.864 18.157 -5.358 1.00 0.00 N ATOM 0 H ASN A 23 5.628 15.423 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 23 7.625 17.233 -3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.813 17.088 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.168 18.409 -2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.036 18.720 -6.191 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.716 17.151 -5.444 1.00 0.00 H new ATOM 392 N SER A 24 6.642 17.291 -0.102 1.00 0.00 N ATOM 393 CA SER A 24 6.989 17.785 1.225 1.00 0.00 C ATOM 394 C SER A 24 8.206 17.053 1.780 1.00 0.00 C ATOM 395 O SER A 24 8.648 17.331 2.897 1.00 0.00 O ATOM 396 CB SER A 24 5.799 17.627 2.175 1.00 0.00 C ATOM 397 OG SER A 24 5.782 18.657 3.148 1.00 0.00 O ATOM 0 H SER A 24 5.863 16.632 -0.117 1.00 0.00 H new ATOM 0 HA SER A 24 7.238 18.843 1.140 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.870 17.646 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.851 16.657 2.669 1.00 0.00 H new ATOM 0 HG SER A 24 5.012 18.534 3.741 1.00 0.00 H new ATOM 403 N VAL A 25 8.741 16.122 0.984 1.00 0.00 N ATOM 404 CA VAL A 25 9.914 15.328 1.360 1.00 0.00 C ATOM 405 C VAL A 25 10.012 15.120 2.870 1.00 0.00 C ATOM 406 O VAL A 25 10.957 15.576 3.514 1.00 0.00 O ATOM 407 CB VAL A 25 11.226 15.959 0.844 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.382 15.716 -0.649 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.276 17.449 1.155 1.00 0.00 C ATOM 0 H VAL A 25 8.372 15.898 0.060 1.00 0.00 H new ATOM 0 HA VAL A 25 9.779 14.356 0.885 1.00 0.00 H new ATOM 0 HB VAL A 25 12.058 15.481 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.312 16.167 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.405 14.644 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.542 16.163 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.210 17.868 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.436 17.949 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.218 17.598 2.233 1.00 0.00 H new ATOM 419 N GLY A 26 9.023 14.426 3.429 1.00 0.00 N ATOM 420 CA GLY A 26 9.012 14.165 4.857 1.00 0.00 C ATOM 421 C GLY A 26 9.576 12.800 5.203 1.00 0.00 C ATOM 422 O GLY A 26 10.398 12.256 4.465 1.00 0.00 O ATOM 0 H GLY A 26 8.229 14.040 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.591 14.934 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.990 14.237 5.228 1.00 0.00 H new ATOM 426 N ARG A 27 9.135 12.246 6.329 1.00 0.00 N ATOM 427 CA ARG A 27 9.602 10.935 6.772 1.00 0.00 C ATOM 428 C ARG A 27 8.742 9.820 6.184 1.00 0.00 C ATOM 429 O ARG A 27 7.649 10.069 5.675 1.00 0.00 O ATOM 430 CB ARG A 27 9.586 10.852 8.301 1.00 0.00 C ATOM 431 CG ARG A 27 10.086 12.113 8.987 1.00 0.00 C ATOM 432 CD ARG A 27 8.963 12.839 9.709 1.00 0.00 C ATOM 433 NE ARG A 27 8.172 11.936 10.541 1.00 0.00 N ATOM 434 CZ ARG A 27 8.115 12.014 11.867 1.00 0.00 C ATOM 435 NH1 ARG A 27 8.800 12.950 12.510 1.00 0.00 N ATOM 436 NH2 ARG A 27 7.371 11.154 12.551 1.00 0.00 N ATOM 0 H ARG A 27 8.455 12.684 6.951 1.00 0.00 H new ATOM 0 HA ARG A 27 10.625 10.806 6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.569 10.647 8.634 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.201 10.009 8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.870 11.854 9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.533 12.777 8.248 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.383 13.629 10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.314 13.320 8.978 1.00 0.00 H new ATOM 0 HE ARG A 27 7.633 11.204 10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.373 13.613 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.754 13.007 13.527 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.843 10.433 12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.327 11.214 13.568 1.00 0.00 H new ATOM 450 N TRP A 28 9.245 8.591 6.257 1.00 0.00 N ATOM 451 CA TRP A 28 8.525 7.435 5.732 1.00 0.00 C ATOM 452 C TRP A 28 7.669 6.785 6.815 1.00 0.00 C ATOM 453 O TRP A 28 7.750 7.150 7.989 1.00 0.00 O ATOM 454 CB TRP A 28 9.508 6.405 5.173 1.00 0.00 C ATOM 455 CG TRP A 28 10.164 6.832 3.895 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.241 7.662 3.764 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.790 6.447 2.567 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.558 7.818 2.436 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.682 7.082 1.681 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.788 5.628 2.041 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.600 6.921 0.300 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.708 5.470 0.670 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.610 6.113 -0.187 1.00 0.00 C ATOM 0 H TRP A 28 10.149 8.370 6.675 1.00 0.00 H new ATOM 0 HA TRP A 28 7.872 7.784 4.932 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.278 6.209 5.919 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.981 5.466 5.005 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.767 8.128 4.584 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.321 8.389 2.071 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.088 5.127 2.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.294 7.417 -0.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.937 4.840 0.253 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.522 5.968 -1.254 1.00 0.00 H new ATOM 474 N LYS A 29 6.855 5.815 6.410 1.00 0.00 N ATOM 475 CA LYS A 29 5.987 5.100 7.337 1.00 0.00 C ATOM 476 C LYS A 29 5.722 3.699 6.809 1.00 0.00 C ATOM 477 O LYS A 29 5.266 3.536 5.682 1.00 0.00 O ATOM 478 CB LYS A 29 4.670 5.854 7.528 1.00 0.00 C ATOM 479 CG LYS A 29 4.500 6.441 8.920 1.00 0.00 C ATOM 480 CD LYS A 29 3.172 6.034 9.536 1.00 0.00 C ATOM 481 CE LYS A 29 3.118 6.366 11.018 1.00 0.00 C ATOM 482 NZ LYS A 29 1.762 6.817 11.435 1.00 0.00 N ATOM 0 H LYS A 29 6.779 5.506 5.441 1.00 0.00 H new ATOM 0 HA LYS A 29 6.483 5.030 8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.612 6.658 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.841 5.177 7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.317 6.107 9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.560 7.528 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.359 6.543 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.018 4.964 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.403 5.488 11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.845 7.146 11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.766 7.034 12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.500 7.670 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.072 6.063 11.244 1.00 0.00 H new ATOM 496 N GLU A 30 6.029 2.686 7.612 1.00 0.00 N ATOM 497 CA GLU A 30 5.842 1.305 7.182 1.00 0.00 C ATOM 498 C GLU A 30 4.866 0.551 8.077 1.00 0.00 C ATOM 499 O GLU A 30 4.998 0.547 9.301 1.00 0.00 O ATOM 500 CB GLU A 30 7.184 0.569 7.153 1.00 0.00 C ATOM 501 CG GLU A 30 8.360 1.409 7.631 1.00 0.00 C ATOM 502 CD GLU A 30 8.722 1.136 9.079 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.365 0.054 9.588 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.365 2.006 9.703 1.00 0.00 O ATOM 0 H GLU A 30 6.404 2.793 8.554 1.00 0.00 H new ATOM 0 HA GLU A 30 5.418 1.338 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.111 -0.323 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.381 0.233 6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.226 1.208 7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.119 2.465 7.514 1.00 0.00 H new ATOM 511 N ALA A 31 3.897 -0.106 7.443 1.00 0.00 N ATOM 512 CA ALA A 31 2.902 -0.892 8.156 1.00 0.00 C ATOM 513 C ALA A 31 2.817 -2.287 7.551 1.00 0.00 C ATOM 514 O ALA A 31 2.835 -2.437 6.329 1.00 0.00 O ATOM 515 CB ALA A 31 1.545 -0.204 8.111 1.00 0.00 C ATOM 0 H ALA A 31 3.783 -0.107 6.429 1.00 0.00 H new ATOM 0 HA ALA A 31 3.202 -0.979 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.814 -0.807 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.620 0.778 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.229 -0.091 7.074 1.00 0.00 H new ATOM 521 N THR A 32 2.739 -3.307 8.399 1.00 0.00 N ATOM 522 CA THR A 32 2.671 -4.677 7.908 1.00 0.00 C ATOM 523 C THR A 32 1.250 -5.088 7.577 1.00 0.00 C ATOM 524 O THR A 32 0.390 -5.192 8.451 1.00 0.00 O ATOM 525 CB THR A 32 3.250 -5.704 8.900 1.00 0.00 C ATOM 526 OG1 THR A 32 4.633 -5.426 9.147 1.00 0.00 O ATOM 527 CG2 THR A 32 3.097 -7.123 8.347 1.00 0.00 C ATOM 0 H THR A 32 2.721 -3.213 9.415 1.00 0.00 H new ATOM 0 HA THR A 32 3.281 -4.680 7.005 1.00 0.00 H new ATOM 0 HB THR A 32 2.699 -5.629 9.837 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.991 -6.083 9.780 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.511 -7.837 9.059 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.041 -7.340 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.631 -7.204 7.400 1.00 0.00 H new ATOM 535 N ILE A 33 1.034 -5.351 6.303 1.00 0.00 N ATOM 536 CA ILE A 33 -0.252 -5.791 5.807 1.00 0.00 C ATOM 537 C ILE A 33 -0.044 -7.029 4.954 1.00 0.00 C ATOM 538 O ILE A 33 0.541 -6.937 3.885 1.00 0.00 O ATOM 539 CB ILE A 33 -0.940 -4.709 4.954 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.566 -3.312 5.451 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.449 -4.898 4.978 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.069 -2.393 4.356 1.00 0.00 C ATOM 0 H ILE A 33 1.750 -5.265 5.581 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.893 -6.002 6.663 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.594 -4.809 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.436 -2.860 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.205 -3.402 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.922 -4.126 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.699 -5.880 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.809 -4.824 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.177 -1.420 4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.820 -2.823 3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.846 -2.273 3.601 1.00 0.00 H new ATOM 554 N PRO A 34 -0.489 -8.206 5.418 1.00 0.00 N ATOM 555 CA PRO A 34 -0.316 -9.454 4.669 1.00 0.00 C ATOM 556 C PRO A 34 -0.870 -9.349 3.248 1.00 0.00 C ATOM 557 O PRO A 34 -1.976 -9.807 2.964 1.00 0.00 O ATOM 558 CB PRO A 34 -1.102 -10.473 5.497 1.00 0.00 C ATOM 559 CG PRO A 34 -1.111 -9.913 6.877 1.00 0.00 C ATOM 560 CD PRO A 34 -1.176 -8.422 6.706 1.00 0.00 C ATOM 0 HA PRO A 34 0.733 -9.722 4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.115 -10.598 5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.628 -11.454 5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.966 -10.280 7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.216 -10.206 7.425 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.205 -8.063 6.680 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.677 -7.900 7.522 1.00 0.00 H new ATOM 568 N GLY A 35 -0.083 -8.727 2.367 1.00 0.00 N ATOM 569 CA GLY A 35 -0.480 -8.542 0.982 1.00 0.00 C ATOM 570 C GLY A 35 -1.911 -8.056 0.836 1.00 0.00 C ATOM 571 O GLY A 35 -2.620 -8.471 -0.081 1.00 0.00 O ATOM 0 H GLY A 35 0.834 -8.344 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.192 -7.825 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.366 -9.485 0.448 1.00 0.00 H new ATOM 575 N HIS A 36 -2.334 -7.176 1.742 1.00 0.00 N ATOM 576 CA HIS A 36 -3.690 -6.631 1.713 1.00 0.00 C ATOM 577 C HIS A 36 -4.727 -7.745 1.835 1.00 0.00 C ATOM 578 O HIS A 36 -5.074 -8.397 0.850 1.00 0.00 O ATOM 579 CB HIS A 36 -3.919 -5.835 0.425 1.00 0.00 C ATOM 580 CG HIS A 36 -4.472 -4.463 0.657 1.00 0.00 C ATOM 581 ND1 HIS A 36 -3.847 -3.346 0.160 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.587 -4.085 1.329 1.00 0.00 C ATOM 583 CE1 HIS A 36 -4.587 -2.318 0.536 1.00 0.00 C ATOM 584 NE2 HIS A 36 -5.653 -2.717 1.246 1.00 0.00 N ATOM 0 H HIS A 36 -1.756 -6.825 2.506 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.804 -5.961 2.565 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.975 -5.751 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.603 -6.389 -0.218 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -2.987 -3.316 -0.388 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.288 -4.735 1.832 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.362 -1.288 0.302 1.00 0.00 H new ATOM 592 N LEU A 37 -5.211 -7.960 3.054 1.00 0.00 N ATOM 593 CA LEU A 37 -6.202 -9.000 3.312 1.00 0.00 C ATOM 594 C LEU A 37 -7.565 -8.626 2.737 1.00 0.00 C ATOM 595 O LEU A 37 -8.322 -9.495 2.306 1.00 0.00 O ATOM 596 CB LEU A 37 -6.321 -9.258 4.817 1.00 0.00 C ATOM 597 CG LEU A 37 -6.314 -8.006 5.697 1.00 0.00 C ATOM 598 CD1 LEU A 37 -7.278 -8.168 6.861 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.909 -7.721 6.205 1.00 0.00 C ATOM 0 H LEU A 37 -4.933 -7.428 3.879 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.865 -9.911 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.244 -9.808 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.498 -9.903 5.125 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.641 -7.159 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.260 -7.268 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.286 -8.326 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.980 -9.026 7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.922 -6.827 6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.555 -8.569 6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.241 -7.562 5.358 1.00 0.00 H new ATOM 611 N ASN A 38 -7.873 -7.332 2.732 1.00 0.00 N ATOM 612 CA ASN A 38 -9.150 -6.856 2.207 1.00 0.00 C ATOM 613 C ASN A 38 -9.110 -5.353 1.938 1.00 0.00 C ATOM 614 O ASN A 38 -8.767 -4.919 0.837 1.00 0.00 O ATOM 615 CB ASN A 38 -10.280 -7.185 3.186 1.00 0.00 C ATOM 616 CG ASN A 38 -10.977 -8.490 2.851 1.00 0.00 C ATOM 617 OD1 ASN A 38 -11.395 -8.710 1.714 1.00 0.00 O ATOM 618 ND2 ASN A 38 -11.103 -9.365 3.842 1.00 0.00 N ATOM 0 H ASN A 38 -7.259 -6.597 3.084 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.337 -7.365 1.262 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.876 -7.242 4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.009 -6.375 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.561 -10.261 3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.742 -9.141 4.769 1.00 0.00 H new ATOM 625 N SER A 39 -9.464 -4.563 2.948 1.00 0.00 N ATOM 626 CA SER A 39 -9.471 -3.111 2.818 1.00 0.00 C ATOM 627 C SER A 39 -8.594 -2.467 3.885 1.00 0.00 C ATOM 628 O SER A 39 -8.790 -2.690 5.080 1.00 0.00 O ATOM 629 CB SER A 39 -10.899 -2.575 2.925 1.00 0.00 C ATOM 630 OG SER A 39 -11.690 -3.393 3.770 1.00 0.00 O ATOM 0 H SER A 39 -9.750 -4.905 3.865 1.00 0.00 H new ATOM 0 HA SER A 39 -9.068 -2.857 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.880 -1.557 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.349 -2.529 1.933 1.00 0.00 H new ATOM 0 HG SER A 39 -12.598 -3.027 3.823 1.00 0.00 H new ATOM 636 N TYR A 40 -7.627 -1.669 3.448 1.00 0.00 N ATOM 637 CA TYR A 40 -6.720 -0.994 4.367 1.00 0.00 C ATOM 638 C TYR A 40 -6.667 0.504 4.083 1.00 0.00 C ATOM 639 O TYR A 40 -6.285 0.924 2.991 1.00 0.00 O ATOM 640 CB TYR A 40 -5.316 -1.593 4.262 1.00 0.00 C ATOM 641 CG TYR A 40 -4.393 -1.172 5.383 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.491 -1.747 6.644 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.422 -0.200 5.179 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.649 -1.363 7.671 1.00 0.00 C ATOM 645 CE2 TYR A 40 -2.575 0.188 6.200 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.693 -0.396 7.443 1.00 0.00 C ATOM 647 OH TYR A 40 -1.851 -0.012 8.462 1.00 0.00 O ATOM 0 H TYR A 40 -7.451 -1.474 2.462 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.097 -1.139 5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.393 -2.680 4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.875 -1.299 3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.237 -2.506 6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.327 0.260 4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.740 -1.818 8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.825 0.945 6.025 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.236 0.677 8.136 1.00 0.00 H new ATOM 657 N THR A 41 -7.050 1.301 5.075 1.00 0.00 N ATOM 658 CA THR A 41 -7.043 2.752 4.935 1.00 0.00 C ATOM 659 C THR A 41 -5.791 3.355 5.562 1.00 0.00 C ATOM 660 O THR A 41 -5.277 2.843 6.557 1.00 0.00 O ATOM 661 CB THR A 41 -8.290 3.386 5.584 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.347 4.784 5.275 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.275 3.198 7.095 1.00 0.00 C ATOM 0 H THR A 41 -7.369 0.966 5.984 1.00 0.00 H new ATOM 0 HA THR A 41 -7.052 2.969 3.867 1.00 0.00 H new ATOM 0 HB THR A 41 -9.171 2.887 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.143 5.178 5.689 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.165 3.654 7.527 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.263 2.134 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.386 3.671 7.512 1.00 0.00 H new ATOM 671 N ILE A 42 -5.303 4.444 4.978 1.00 0.00 N ATOM 672 CA ILE A 42 -4.111 5.108 5.489 1.00 0.00 C ATOM 673 C ILE A 42 -4.464 6.433 6.158 1.00 0.00 C ATOM 674 O ILE A 42 -4.922 7.365 5.497 1.00 0.00 O ATOM 675 CB ILE A 42 -3.088 5.370 4.365 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.777 4.074 3.617 1.00 0.00 C ATOM 677 CG2 ILE A 42 -1.815 5.977 4.935 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.418 4.286 2.162 1.00 0.00 C ATOM 0 H ILE A 42 -5.713 4.884 4.154 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.667 4.438 6.226 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.521 6.080 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.952 3.565 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.642 3.413 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.104 6.155 4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.050 6.921 5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.377 5.290 5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.210 3.324 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.251 4.767 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.535 4.921 2.094 1.00 0.00 H new ATOM 690 N LYS A 43 -4.228 6.497 7.470 1.00 0.00 N ATOM 691 CA LYS A 43 -4.496 7.693 8.274 1.00 0.00 C ATOM 692 C LYS A 43 -5.595 8.569 7.661 1.00 0.00 C ATOM 693 O LYS A 43 -6.693 8.087 7.382 1.00 0.00 O ATOM 694 CB LYS A 43 -3.204 8.496 8.457 1.00 0.00 C ATOM 695 CG LYS A 43 -2.009 7.643 8.865 1.00 0.00 C ATOM 696 CD LYS A 43 -2.264 6.906 10.172 1.00 0.00 C ATOM 697 CE LYS A 43 -2.531 5.427 9.936 1.00 0.00 C ATOM 698 NZ LYS A 43 -2.106 4.591 11.092 1.00 0.00 N ATOM 0 H LYS A 43 -3.845 5.719 8.007 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.859 7.365 9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.971 9.011 7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.367 9.264 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.791 6.922 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.128 8.277 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.402 7.021 10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.117 7.354 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.595 5.276 9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.002 5.102 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.306 3.591 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.086 4.714 11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.629 4.883 11.942 1.00 0.00 H new ATOM 712 N GLY A 44 -5.297 9.851 7.457 1.00 0.00 N ATOM 713 CA GLY A 44 -6.275 10.757 6.882 1.00 0.00 C ATOM 714 C GLY A 44 -5.632 11.925 6.159 1.00 0.00 C ATOM 715 O GLY A 44 -5.534 13.024 6.705 1.00 0.00 O ATOM 0 H GLY A 44 -4.397 10.276 7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.909 10.208 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.923 11.136 7.672 1.00 0.00 H new ATOM 719 N LEU A 45 -5.190 11.684 4.927 1.00 0.00 N ATOM 720 CA LEU A 45 -4.551 12.717 4.122 1.00 0.00 C ATOM 721 C LEU A 45 -5.554 13.794 3.717 1.00 0.00 C ATOM 722 O LEU A 45 -6.569 13.996 4.385 1.00 0.00 O ATOM 723 CB LEU A 45 -3.925 12.093 2.871 1.00 0.00 C ATOM 724 CG LEU A 45 -2.970 10.918 3.117 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.001 11.224 4.247 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.741 9.639 3.404 1.00 0.00 C ATOM 0 H LEU A 45 -5.264 10.778 4.465 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.771 13.183 4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.728 11.753 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.383 12.871 2.333 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.390 10.769 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.337 10.373 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.410 12.104 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.559 11.415 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.040 8.822 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.359 9.778 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.377 9.399 2.552 1.00 0.00 H new ATOM 738 N LYS A 46 -5.264 14.481 2.616 1.00 0.00 N ATOM 739 CA LYS A 46 -6.141 15.535 2.119 1.00 0.00 C ATOM 740 C LYS A 46 -5.939 15.737 0.615 1.00 0.00 C ATOM 741 O LYS A 46 -4.813 15.681 0.121 1.00 0.00 O ATOM 742 CB LYS A 46 -5.883 16.840 2.885 1.00 0.00 C ATOM 743 CG LYS A 46 -5.892 18.092 2.020 1.00 0.00 C ATOM 744 CD LYS A 46 -4.482 18.526 1.660 1.00 0.00 C ATOM 745 CE LYS A 46 -4.482 19.800 0.831 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.492 20.791 1.338 1.00 0.00 N ATOM 0 H LYS A 46 -4.429 14.326 2.051 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.177 15.237 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.639 16.946 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.918 16.767 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.460 17.903 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.399 18.899 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.906 18.685 2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.987 17.730 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.255 19.558 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.478 20.242 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.522 21.646 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.723 21.041 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.538 20.378 1.302 1.00 0.00 H new ATOM 760 N PRO A 47 -7.034 15.972 -0.133 1.00 0.00 N ATOM 761 CA PRO A 47 -6.972 16.178 -1.585 1.00 0.00 C ATOM 762 C PRO A 47 -6.064 17.342 -1.971 1.00 0.00 C ATOM 763 O PRO A 47 -6.416 18.506 -1.777 1.00 0.00 O ATOM 764 CB PRO A 47 -8.423 16.488 -1.969 1.00 0.00 C ATOM 765 CG PRO A 47 -9.243 15.911 -0.869 1.00 0.00 C ATOM 766 CD PRO A 47 -8.416 16.050 0.376 1.00 0.00 C ATOM 0 HA PRO A 47 -6.557 15.309 -2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.586 17.562 -2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.681 16.042 -2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.191 16.440 -0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.480 14.866 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.606 16.996 0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.628 15.256 1.092 1.00 0.00 H new ATOM 774 N GLY A 48 -4.897 17.022 -2.522 1.00 0.00 N ATOM 775 CA GLY A 48 -3.961 18.054 -2.929 1.00 0.00 C ATOM 776 C GLY A 48 -2.537 17.759 -2.502 1.00 0.00 C ATOM 777 O GLY A 48 -1.616 18.504 -2.836 1.00 0.00 O ATOM 0 H GLY A 48 -4.583 16.067 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.995 18.162 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.272 19.008 -2.504 1.00 0.00 H new ATOM 781 N VAL A 49 -2.353 16.669 -1.762 1.00 0.00 N ATOM 782 CA VAL A 49 -1.029 16.280 -1.292 1.00 0.00 C ATOM 783 C VAL A 49 -0.485 15.109 -2.100 1.00 0.00 C ATOM 784 O VAL A 49 -1.038 14.010 -2.066 1.00 0.00 O ATOM 785 CB VAL A 49 -1.050 15.895 0.202 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.305 15.361 0.642 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.460 17.086 1.052 1.00 0.00 C ATOM 0 H VAL A 49 -3.104 16.041 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.379 17.145 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.786 15.103 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.266 15.096 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.556 14.477 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.065 16.127 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.470 16.797 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.749 17.899 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.456 17.417 0.758 1.00 0.00 H new ATOM 797 N VAL A 50 0.608 15.347 -2.819 1.00 0.00 N ATOM 798 CA VAL A 50 1.226 14.303 -3.624 1.00 0.00 C ATOM 799 C VAL A 50 2.141 13.440 -2.762 1.00 0.00 C ATOM 800 O VAL A 50 3.128 13.924 -2.205 1.00 0.00 O ATOM 801 CB VAL A 50 2.022 14.895 -4.806 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.968 15.985 -4.330 1.00 0.00 C ATOM 803 CG2 VAL A 50 2.782 13.803 -5.547 1.00 0.00 C ATOM 0 H VAL A 50 1.081 16.250 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 50 0.426 13.685 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 50 1.312 15.344 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.518 16.387 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.395 16.783 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.670 15.568 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.336 14.244 -6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.478 13.316 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.077 13.066 -5.932 1.00 0.00 H new ATOM 813 N TYR A 51 1.795 12.164 -2.639 1.00 0.00 N ATOM 814 CA TYR A 51 2.571 11.236 -1.827 1.00 0.00 C ATOM 815 C TYR A 51 3.344 10.252 -2.692 1.00 0.00 C ATOM 816 O TYR A 51 3.119 10.148 -3.898 1.00 0.00 O ATOM 817 CB TYR A 51 1.647 10.456 -0.888 1.00 0.00 C ATOM 818 CG TYR A 51 1.668 10.939 0.545 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.681 10.553 1.413 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.669 11.771 1.032 1.00 0.00 C ATOM 821 CE1 TYR A 51 2.698 10.984 2.726 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.678 12.206 2.343 1.00 0.00 C ATOM 823 CZ TYR A 51 1.695 11.810 3.186 1.00 0.00 C ATOM 824 OH TYR A 51 1.709 12.240 4.493 1.00 0.00 O ATOM 0 H TYR A 51 0.981 11.748 -3.092 1.00 0.00 H new ATOM 0 HA TYR A 51 3.282 11.824 -1.247 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.627 10.519 -1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.930 9.404 -0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.468 9.905 1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.129 12.083 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.493 10.675 3.388 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.107 12.853 2.706 1.00 0.00 H new ATOM 0 HH TYR A 51 0.933 12.816 4.656 1.00 0.00 H new ATOM 834 N GLU A 52 4.240 9.517 -2.051 1.00 0.00 N ATOM 835 CA GLU A 52 5.043 8.510 -2.725 1.00 0.00 C ATOM 836 C GLU A 52 4.849 7.171 -2.030 1.00 0.00 C ATOM 837 O GLU A 52 4.947 7.085 -0.806 1.00 0.00 O ATOM 838 CB GLU A 52 6.522 8.907 -2.714 1.00 0.00 C ATOM 839 CG GLU A 52 7.453 7.817 -3.217 1.00 0.00 C ATOM 840 CD GLU A 52 7.863 8.021 -4.662 1.00 0.00 C ATOM 841 OE1 GLU A 52 8.585 9.002 -4.942 1.00 0.00 O ATOM 842 OE2 GLU A 52 7.465 7.200 -5.515 1.00 0.00 O ATOM 0 H GLU A 52 4.430 9.602 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 52 4.723 8.430 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.654 9.797 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.809 9.176 -1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.345 7.789 -2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.962 6.849 -3.116 1.00 0.00 H new ATOM 849 N GLY A 53 4.554 6.132 -2.800 1.00 0.00 N ATOM 850 CA GLY A 53 4.333 4.831 -2.206 1.00 0.00 C ATOM 851 C GLY A 53 4.978 3.697 -2.971 1.00 0.00 C ATOM 852 O GLY A 53 4.947 3.663 -4.202 1.00 0.00 O ATOM 0 H GLY A 53 4.465 6.167 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.719 4.836 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.260 4.649 -2.139 1.00 0.00 H new ATOM 856 N GLN A 54 5.545 2.756 -2.230 1.00 0.00 N ATOM 857 CA GLN A 54 6.188 1.591 -2.819 1.00 0.00 C ATOM 858 C GLN A 54 5.696 0.326 -2.130 1.00 0.00 C ATOM 859 O GLN A 54 5.544 0.298 -0.908 1.00 0.00 O ATOM 860 CB GLN A 54 7.714 1.688 -2.706 1.00 0.00 C ATOM 861 CG GLN A 54 8.205 2.960 -2.035 1.00 0.00 C ATOM 862 CD GLN A 54 9.684 3.208 -2.269 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.067 4.180 -2.919 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.524 2.326 -1.738 1.00 0.00 N ATOM 0 H GLN A 54 5.572 2.778 -1.211 1.00 0.00 H new ATOM 0 HA GLN A 54 5.927 1.554 -3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.082 0.829 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.147 1.626 -3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.634 3.809 -2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.016 2.898 -0.963 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.163 1.534 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.530 2.441 -1.862 1.00 0.00 H new ATOM 873 N LEU A 55 5.442 -0.717 -2.910 1.00 0.00 N ATOM 874 CA LEU A 55 4.963 -1.972 -2.353 1.00 0.00 C ATOM 875 C LEU A 55 6.109 -2.966 -2.204 1.00 0.00 C ATOM 876 O LEU A 55 6.547 -3.562 -3.186 1.00 0.00 O ATOM 877 CB LEU A 55 3.884 -2.588 -3.266 1.00 0.00 C ATOM 878 CG LEU A 55 2.419 -2.201 -2.984 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.750 -3.214 -2.059 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.315 -0.794 -2.409 1.00 0.00 C ATOM 0 H LEU A 55 5.559 -0.718 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 55 4.537 -1.761 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.114 -2.312 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.965 -3.673 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 55 1.890 -2.211 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.718 -2.915 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.766 -4.199 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.288 -3.253 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.268 -0.554 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.872 -0.741 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.730 -0.079 -3.119 1.00 0.00 H new ATOM 892 N ILE A 56 6.564 -3.180 -0.969 1.00 0.00 N ATOM 893 CA ILE A 56 7.621 -4.145 -0.714 1.00 0.00 C ATOM 894 C ILE A 56 7.070 -5.261 0.151 1.00 0.00 C ATOM 895 O ILE A 56 6.687 -5.041 1.296 1.00 0.00 O ATOM 896 CB ILE A 56 8.849 -3.522 -0.029 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.312 -2.277 -0.788 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.970 -4.548 0.041 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.590 -1.011 -0.385 1.00 0.00 C ATOM 0 H ILE A 56 6.217 -2.700 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 56 7.956 -4.527 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 56 8.577 -3.222 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.381 -2.141 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.170 -2.441 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.839 -4.105 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.636 -5.413 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.239 -4.862 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.973 -0.173 -0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.522 -1.125 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.753 -0.821 0.676 1.00 0.00 H new ATOM 911 N SER A 57 6.997 -6.446 -0.424 1.00 0.00 N ATOM 912 CA SER A 57 6.442 -7.597 0.257 1.00 0.00 C ATOM 913 C SER A 57 7.517 -8.587 0.685 1.00 0.00 C ATOM 914 O SER A 57 8.404 -8.935 -0.092 1.00 0.00 O ATOM 915 CB SER A 57 5.452 -8.265 -0.682 1.00 0.00 C ATOM 916 OG SER A 57 4.193 -8.441 -0.063 1.00 0.00 O ATOM 0 H SER A 57 7.320 -6.636 -1.373 1.00 0.00 H new ATOM 0 HA SER A 57 5.947 -7.264 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.336 -7.660 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.843 -9.233 -0.997 1.00 0.00 H new ATOM 0 HG SER A 57 3.535 -8.721 -0.733 1.00 0.00 H new ATOM 922 N ILE A 58 7.422 -9.036 1.933 1.00 0.00 N ATOM 923 CA ILE A 58 8.380 -9.989 2.479 1.00 0.00 C ATOM 924 C ILE A 58 7.727 -11.335 2.786 1.00 0.00 C ATOM 925 O ILE A 58 6.721 -11.411 3.497 1.00 0.00 O ATOM 926 CB ILE A 58 9.045 -9.447 3.757 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.587 -8.037 3.507 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.156 -10.383 4.207 1.00 0.00 C ATOM 929 CD1 ILE A 58 10.485 -7.513 4.612 1.00 0.00 C ATOM 0 H ILE A 58 6.690 -8.754 2.585 1.00 0.00 H new ATOM 0 HA ILE A 58 9.142 -10.134 1.713 1.00 0.00 H new ATOM 0 HB ILE A 58 8.301 -9.394 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.143 -8.034 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.747 -7.354 3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.619 -9.989 5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.740 -11.369 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.906 -10.462 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.827 -6.510 4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.928 -7.481 5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.346 -8.172 4.724 1.00 0.00 H new ATOM 941 N GLN A 59 8.319 -12.398 2.255 1.00 0.00 N ATOM 942 CA GLN A 59 7.817 -13.747 2.477 1.00 0.00 C ATOM 943 C GLN A 59 8.619 -14.424 3.582 1.00 0.00 C ATOM 944 O GLN A 59 9.533 -13.823 4.149 1.00 0.00 O ATOM 945 CB GLN A 59 7.911 -14.569 1.189 1.00 0.00 C ATOM 946 CG GLN A 59 6.562 -14.876 0.559 1.00 0.00 C ATOM 947 CD GLN A 59 6.221 -16.354 0.595 1.00 0.00 C ATOM 948 OE1 GLN A 59 6.428 -17.026 1.606 1.00 0.00 O ATOM 949 NE2 GLN A 59 5.695 -16.868 -0.512 1.00 0.00 N ATOM 0 H GLN A 59 9.150 -12.351 1.666 1.00 0.00 H new ATOM 0 HA GLN A 59 6.771 -13.685 2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.524 -14.029 0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.423 -15.507 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.786 -14.316 1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.562 -14.533 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.541 -16.274 -1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.446 -17.856 -0.547 1.00 0.00 H new ATOM 958 N GLN A 60 8.286 -15.673 3.882 1.00 0.00 N ATOM 959 CA GLN A 60 8.998 -16.414 4.915 1.00 0.00 C ATOM 960 C GLN A 60 10.437 -16.669 4.479 1.00 0.00 C ATOM 961 O GLN A 60 11.299 -16.994 5.295 1.00 0.00 O ATOM 962 CB GLN A 60 8.291 -17.740 5.210 1.00 0.00 C ATOM 963 CG GLN A 60 8.172 -18.654 4.001 1.00 0.00 C ATOM 964 CD GLN A 60 7.682 -20.042 4.367 1.00 0.00 C ATOM 965 OE1 GLN A 60 8.091 -20.611 5.379 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.799 -20.595 3.543 1.00 0.00 N ATOM 0 H GLN A 60 7.533 -16.191 3.429 1.00 0.00 H new ATOM 0 HA GLN A 60 9.006 -15.817 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.834 -18.263 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.293 -17.531 5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.487 -18.209 3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.143 -18.732 3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.487 -20.088 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.433 -21.527 3.738 1.00 0.00 H new ATOM 975 N TYR A 61 10.683 -16.514 3.180 1.00 0.00 N ATOM 976 CA TYR A 61 12.012 -16.717 2.613 1.00 0.00 C ATOM 977 C TYR A 61 12.693 -15.379 2.324 1.00 0.00 C ATOM 978 O TYR A 61 13.857 -15.335 1.927 1.00 0.00 O ATOM 979 CB TYR A 61 11.908 -17.545 1.328 1.00 0.00 C ATOM 980 CG TYR A 61 13.243 -17.972 0.759 1.00 0.00 C ATOM 981 CD1 TYR A 61 14.054 -18.875 1.435 1.00 0.00 C ATOM 982 CD2 TYR A 61 13.690 -17.472 -0.458 1.00 0.00 C ATOM 983 CE1 TYR A 61 15.273 -19.267 0.915 1.00 0.00 C ATOM 984 CE2 TYR A 61 14.907 -17.859 -0.984 1.00 0.00 C ATOM 985 CZ TYR A 61 15.695 -18.756 -0.294 1.00 0.00 C ATOM 986 OH TYR A 61 16.908 -19.144 -0.815 1.00 0.00 O ATOM 0 H TYR A 61 9.974 -16.247 2.497 1.00 0.00 H new ATOM 0 HA TYR A 61 12.619 -17.256 3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.310 -18.434 1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.374 -16.964 0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.727 -19.277 2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.076 -16.769 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.892 -19.970 1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.240 -17.461 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 61 17.055 -18.693 -1.673 1.00 0.00 H new ATOM 996 N GLY A 62 11.957 -14.288 2.527 1.00 0.00 N ATOM 997 CA GLY A 62 12.506 -12.963 2.283 1.00 0.00 C ATOM 998 C GLY A 62 11.662 -12.156 1.314 1.00 0.00 C ATOM 999 O GLY A 62 10.732 -12.684 0.708 1.00 0.00 O ATOM 0 H GLY A 62 10.991 -14.297 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.583 -12.425 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.517 -13.059 1.887 1.00 0.00 H new ATOM 1003 N HIS A 63 11.986 -10.872 1.170 1.00 0.00 N ATOM 1004 CA HIS A 63 11.248 -9.989 0.268 1.00 0.00 C ATOM 1005 C HIS A 63 11.362 -10.463 -1.178 1.00 0.00 C ATOM 1006 O HIS A 63 12.431 -10.888 -1.618 1.00 0.00 O ATOM 1007 CB HIS A 63 11.761 -8.552 0.388 1.00 0.00 C ATOM 1008 CG HIS A 63 13.254 -8.447 0.458 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.068 -9.435 -0.040 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.025 -7.458 0.974 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.306 -9.031 0.180 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.331 -7.838 0.794 1.00 0.00 N ATOM 0 H HIS A 63 12.754 -10.420 1.666 1.00 0.00 H new ATOM 0 HA HIS A 63 10.198 -10.017 0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.405 -7.977 -0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.332 -8.096 1.280 1.00 0.00 H new ATOM 0 HD1 HIS A 63 13.776 -10.303 -0.488 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.678 -6.546 1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.187 -9.590 -0.099 1.00 0.00 H new ATOM 1020 N GLN A 64 10.252 -10.396 -1.914 1.00 0.00 N ATOM 1021 CA GLN A 64 10.237 -10.829 -3.311 1.00 0.00 C ATOM 1022 C GLN A 64 9.293 -9.979 -4.159 1.00 0.00 C ATOM 1023 O GLN A 64 9.016 -10.322 -5.309 1.00 0.00 O ATOM 1024 CB GLN A 64 9.823 -12.301 -3.420 1.00 0.00 C ATOM 1025 CG GLN A 64 9.970 -13.092 -2.128 1.00 0.00 C ATOM 1026 CD GLN A 64 11.158 -14.035 -2.158 1.00 0.00 C ATOM 1027 OE1 GLN A 64 12.091 -13.852 -2.939 1.00 0.00 O ATOM 1028 NE2 GLN A 64 11.130 -15.051 -1.303 1.00 0.00 N ATOM 0 H GLN A 64 9.357 -10.048 -1.569 1.00 0.00 H new ATOM 0 HA GLN A 64 11.251 -10.705 -3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.784 -12.351 -3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.423 -12.778 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.080 -12.401 -1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.060 -13.665 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.336 -15.165 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.902 -15.717 -1.277 1.00 0.00 H new ATOM 1037 N GLU A 65 8.792 -8.878 -3.602 1.00 0.00 N ATOM 1038 CA GLU A 65 7.876 -8.017 -4.347 1.00 0.00 C ATOM 1039 C GLU A 65 8.107 -6.541 -4.048 1.00 0.00 C ATOM 1040 O GLU A 65 7.890 -6.082 -2.934 1.00 0.00 O ATOM 1041 CB GLU A 65 6.430 -8.389 -4.017 1.00 0.00 C ATOM 1042 CG GLU A 65 5.539 -8.522 -5.241 1.00 0.00 C ATOM 1043 CD GLU A 65 4.927 -9.903 -5.369 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.223 -10.331 -4.430 1.00 0.00 O ATOM 1045 OE2 GLU A 65 5.149 -10.557 -6.410 1.00 0.00 O ATOM 0 H GLU A 65 9.000 -8.565 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 65 8.068 -8.174 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.423 -9.331 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.011 -7.632 -3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.743 -7.779 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.122 -8.302 -6.136 1.00 0.00 H new ATOM 1052 N VAL A 66 8.535 -5.797 -5.061 1.00 0.00 N ATOM 1053 CA VAL A 66 8.775 -4.368 -4.906 1.00 0.00 C ATOM 1054 C VAL A 66 8.240 -3.579 -6.104 1.00 0.00 C ATOM 1055 O VAL A 66 8.579 -3.872 -7.251 1.00 0.00 O ATOM 1056 CB VAL A 66 10.272 -4.076 -4.703 1.00 0.00 C ATOM 1057 CG1 VAL A 66 11.113 -5.030 -5.534 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.591 -2.624 -5.028 1.00 0.00 C ATOM 0 H VAL A 66 8.723 -6.159 -5.996 1.00 0.00 H new ATOM 0 HA VAL A 66 8.236 -4.044 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 66 10.519 -4.236 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.170 -4.812 -5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.907 -6.056 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.867 -4.908 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.655 -2.443 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.332 -2.418 -6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.015 -1.970 -4.374 1.00 0.00 H new ATOM 1068 N THR A 67 7.411 -2.575 -5.829 1.00 0.00 N ATOM 1069 CA THR A 67 6.838 -1.740 -6.884 1.00 0.00 C ATOM 1070 C THR A 67 6.865 -0.265 -6.490 1.00 0.00 C ATOM 1071 O THR A 67 6.453 0.097 -5.389 1.00 0.00 O ATOM 1072 CB THR A 67 5.387 -2.148 -7.203 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.272 -3.576 -7.217 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.949 -1.586 -8.548 1.00 0.00 C ATOM 0 H THR A 67 7.121 -2.319 -4.885 1.00 0.00 H new ATOM 0 HA THR A 67 7.451 -1.890 -7.773 1.00 0.00 H new ATOM 0 HB THR A 67 4.739 -1.738 -6.428 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.347 -3.828 -7.419 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.921 -1.888 -8.751 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.010 -0.498 -8.525 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.601 -1.970 -9.332 1.00 0.00 H new ATOM 1082 N ARG A 68 7.354 0.580 -7.391 1.00 0.00 N ATOM 1083 CA ARG A 68 7.436 2.015 -7.126 1.00 0.00 C ATOM 1084 C ARG A 68 6.395 2.788 -7.931 1.00 0.00 C ATOM 1085 O ARG A 68 6.331 2.669 -9.155 1.00 0.00 O ATOM 1086 CB ARG A 68 8.837 2.535 -7.452 1.00 0.00 C ATOM 1087 CG ARG A 68 9.945 1.803 -6.712 1.00 0.00 C ATOM 1088 CD ARG A 68 11.274 2.532 -6.830 1.00 0.00 C ATOM 1089 NE ARG A 68 11.414 3.581 -5.824 1.00 0.00 N ATOM 1090 CZ ARG A 68 12.586 4.055 -5.410 1.00 0.00 C ATOM 1091 NH1 ARG A 68 13.716 3.577 -5.913 1.00 0.00 N ATOM 1092 NH2 ARG A 68 12.628 5.009 -4.489 1.00 0.00 N ATOM 0 H ARG A 68 7.699 0.299 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 68 7.232 2.171 -6.067 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.008 2.446 -8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.888 3.596 -7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.676 1.703 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.046 0.794 -7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.090 1.817 -6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.360 2.970 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 68 10.565 3.972 -5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.689 2.843 -6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.612 3.944 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.762 5.379 -4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.527 5.372 -4.172 1.00 0.00 H new ATOM 1106 N PHE A 69 5.584 3.581 -7.235 1.00 0.00 N ATOM 1107 CA PHE A 69 4.548 4.378 -7.886 1.00 0.00 C ATOM 1108 C PHE A 69 4.171 5.592 -7.045 1.00 0.00 C ATOM 1109 O PHE A 69 3.954 5.486 -5.839 1.00 0.00 O ATOM 1110 CB PHE A 69 3.308 3.522 -8.167 1.00 0.00 C ATOM 1111 CG PHE A 69 2.704 2.893 -6.942 1.00 0.00 C ATOM 1112 CD1 PHE A 69 3.164 1.674 -6.470 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.670 3.523 -6.267 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.604 1.095 -5.347 1.00 0.00 C ATOM 1115 CE2 PHE A 69 1.108 2.949 -5.143 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.574 1.734 -4.683 1.00 0.00 C ATOM 0 H PHE A 69 5.624 3.689 -6.221 1.00 0.00 H new ATOM 0 HA PHE A 69 4.951 4.736 -8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.554 4.142 -8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.576 2.735 -8.872 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.969 1.171 -6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.300 4.473 -6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.971 0.144 -4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.304 3.451 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.134 1.283 -3.805 1.00 0.00 H new ATOM 1126 N ASP A 70 4.084 6.745 -7.701 1.00 0.00 N ATOM 1127 CA ASP A 70 3.716 7.982 -7.025 1.00 0.00 C ATOM 1128 C ASP A 70 2.220 8.209 -7.173 1.00 0.00 C ATOM 1129 O ASP A 70 1.644 7.917 -8.221 1.00 0.00 O ATOM 1130 CB ASP A 70 4.493 9.166 -7.607 1.00 0.00 C ATOM 1131 CG ASP A 70 4.626 9.086 -9.115 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.662 9.456 -9.817 1.00 0.00 O ATOM 1133 OD2 ASP A 70 5.695 8.652 -9.594 1.00 0.00 O ATOM 0 H ASP A 70 4.264 6.847 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 70 3.967 7.899 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.989 10.095 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.486 9.201 -7.159 1.00 0.00 H new ATOM 1138 N PHE A 71 1.582 8.694 -6.116 1.00 0.00 N ATOM 1139 CA PHE A 71 0.145 8.910 -6.146 1.00 0.00 C ATOM 1140 C PHE A 71 -0.256 10.161 -5.372 1.00 0.00 C ATOM 1141 O PHE A 71 0.315 10.465 -4.324 1.00 0.00 O ATOM 1142 CB PHE A 71 -0.554 7.677 -5.570 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.253 7.443 -4.112 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.867 6.717 -3.734 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.082 7.951 -3.120 1.00 0.00 C ATOM 1146 CE1 PHE A 71 1.154 6.501 -2.399 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -0.798 7.736 -1.783 1.00 0.00 C ATOM 1148 CZ PHE A 71 0.322 7.011 -1.424 1.00 0.00 C ATOM 0 H PHE A 71 2.033 8.943 -5.236 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.162 9.063 -7.180 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.631 7.787 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.253 6.798 -6.141 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.523 6.315 -4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.958 8.520 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.029 5.933 -2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.451 8.135 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.546 6.844 -0.381 1.00 0.00 H new ATOM 1158 N THR A 72 -1.251 10.875 -5.890 1.00 0.00 N ATOM 1159 CA THR A 72 -1.742 12.085 -5.244 1.00 0.00 C ATOM 1160 C THR A 72 -3.058 11.813 -4.528 1.00 0.00 C ATOM 1161 O THR A 72 -3.952 11.171 -5.082 1.00 0.00 O ATOM 1162 CB THR A 72 -1.952 13.224 -6.259 1.00 0.00 C ATOM 1163 OG1 THR A 72 -2.752 12.763 -7.355 1.00 0.00 O ATOM 1164 CG2 THR A 72 -0.619 13.737 -6.779 1.00 0.00 C ATOM 0 H THR A 72 -1.733 10.635 -6.756 1.00 0.00 H new ATOM 0 HA THR A 72 -0.985 12.393 -4.523 1.00 0.00 H new ATOM 0 HB THR A 72 -2.466 14.041 -5.753 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.882 13.494 -7.995 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.793 14.541 -7.494 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.024 14.114 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.083 12.925 -7.269 1.00 0.00 H new