USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 554 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -150:sc= -1.15 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.57) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 27 TYR OH : rot 100:sc= -2.94! USER MOD Single : A 28 THR OG1 : rot 40:sc= 0.157 USER MOD Single : A 30 THR OG1 : rot -160:sc= 0.989 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -95:sc= 0.656 USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= 0.335 (180deg=0.00729) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.316 K(o=-0.32,f=-3.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -161:sc= -5.04! (180deg=-6.7!) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 0.114 (180deg=-1.13) USER MOD Single : A 67 SER OG : rot -55:sc= 1.14 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 48:sc= 1.21 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.0452 F(o=-1.1,f=-0.045) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N CYS A 11 -8.218 3.516 -9.945 1.00 0.00 N ATOM 150 CA CYS A 11 -8.829 2.417 -10.673 1.00 0.00 C ATOM 151 C CYS A 11 -10.215 2.865 -11.143 1.00 0.00 C ATOM 152 O CYS A 11 -10.475 4.060 -11.268 1.00 0.00 O ATOM 153 CB CYS A 11 -8.898 1.145 -9.825 1.00 0.00 C ATOM 154 SG CYS A 11 -10.339 1.047 -8.702 1.00 0.00 S ATOM 0 HA CYS A 11 -8.216 2.165 -11.538 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.915 0.282 -10.491 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.987 1.072 -9.231 1.00 0.00 H new ATOM 159 N VAL A 12 -11.067 1.881 -11.390 1.00 0.00 N ATOM 160 CA VAL A 12 -12.420 2.158 -11.844 1.00 0.00 C ATOM 161 C VAL A 12 -13.409 1.801 -10.733 1.00 0.00 C ATOM 162 O VAL A 12 -13.720 2.633 -9.883 1.00 0.00 O ATOM 163 CB VAL A 12 -12.695 1.414 -13.152 1.00 0.00 C ATOM 164 CG1 VAL A 12 -12.472 2.327 -14.359 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.840 0.150 -13.256 1.00 0.00 C ATOM 0 H VAL A 12 -10.847 0.891 -11.284 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.542 3.220 -12.058 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.742 1.110 -13.150 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.674 1.774 -15.276 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.143 3.183 -14.296 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.439 2.675 -14.366 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.056 -0.359 -14.195 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.785 0.421 -13.224 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.069 -0.514 -12.423 1.00 0.00 H new ATOM 175 N SER A 13 -13.876 0.562 -10.776 1.00 0.00 N ATOM 176 CA SER A 13 -14.824 0.084 -9.784 1.00 0.00 C ATOM 177 C SER A 13 -14.086 -0.665 -8.673 1.00 0.00 C ATOM 178 O SER A 13 -12.871 -0.535 -8.534 1.00 0.00 O ATOM 179 CB SER A 13 -15.882 -0.819 -10.422 1.00 0.00 C ATOM 180 OG SER A 13 -17.197 -0.294 -10.267 1.00 0.00 O ATOM 0 H SER A 13 -13.615 -0.126 -11.483 1.00 0.00 H new ATOM 0 HA SER A 13 -15.334 0.947 -9.355 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.663 -0.940 -11.483 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.832 -1.810 -9.971 1.00 0.00 H new ATOM 0 HG SER A 13 -17.842 -0.899 -10.689 1.00 0.00 H new ATOM 186 N LEU A 14 -14.851 -1.432 -7.912 1.00 0.00 N ATOM 187 CA LEU A 14 -14.285 -2.202 -6.817 1.00 0.00 C ATOM 188 C LEU A 14 -14.296 -3.687 -7.185 1.00 0.00 C ATOM 189 O LEU A 14 -15.347 -4.328 -7.164 1.00 0.00 O ATOM 190 CB LEU A 14 -15.011 -1.887 -5.508 1.00 0.00 C ATOM 191 CG LEU A 14 -14.445 -0.725 -4.689 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.297 -0.464 -3.446 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.976 -0.967 -4.337 1.00 0.00 C ATOM 0 H LEU A 14 -15.858 -1.537 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.245 -1.922 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.054 -1.669 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.002 -2.782 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.485 0.176 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.873 0.367 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.314 -0.215 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.312 -1.357 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.598 -0.126 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.888 -1.882 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.394 -1.065 -5.253 1.00 0.00 H new ATOM 205 N THR A 15 -13.115 -4.192 -7.512 1.00 0.00 N ATOM 206 CA THR A 15 -12.977 -5.590 -7.884 1.00 0.00 C ATOM 207 C THR A 15 -13.579 -5.836 -9.269 1.00 0.00 C ATOM 208 O THR A 15 -13.316 -5.085 -10.206 1.00 0.00 O ATOM 209 CB THR A 15 -13.618 -6.438 -6.784 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.126 -5.867 -5.574 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.084 -7.871 -6.764 1.00 0.00 C ATOM 0 H THR A 15 -12.246 -3.658 -7.527 1.00 0.00 H new ATOM 0 HA THR A 15 -11.928 -5.875 -7.965 1.00 0.00 H new ATOM 0 HB THR A 15 -14.699 -6.455 -6.923 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.069 -6.561 -4.884 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.571 -8.430 -5.965 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.292 -8.350 -7.721 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.008 -7.856 -6.592 1.00 0.00 H new ATOM 219 N THR A 16 -14.376 -6.891 -9.354 1.00 0.00 N ATOM 220 CA THR A 16 -15.017 -7.246 -10.609 1.00 0.00 C ATOM 221 C THR A 16 -14.026 -7.958 -11.531 1.00 0.00 C ATOM 222 O THR A 16 -14.380 -8.355 -12.641 1.00 0.00 O ATOM 223 CB THR A 16 -15.604 -5.970 -11.216 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.816 -6.403 -11.829 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.767 -5.438 -12.381 1.00 0.00 C ATOM 0 H THR A 16 -14.593 -7.512 -8.574 1.00 0.00 H new ATOM 0 HA THR A 16 -15.831 -7.953 -10.452 1.00 0.00 H new ATOM 0 HB THR A 16 -15.682 -5.204 -10.445 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.263 -5.637 -12.246 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.227 -4.532 -12.776 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.760 -5.211 -12.032 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.717 -6.191 -13.167 1.00 0.00 H new ATOM 233 N GLN A 17 -12.805 -8.099 -11.038 1.00 0.00 N ATOM 234 CA GLN A 17 -11.760 -8.758 -11.805 1.00 0.00 C ATOM 235 C GLN A 17 -10.818 -9.522 -10.872 1.00 0.00 C ATOM 236 O GLN A 17 -9.826 -8.969 -10.399 1.00 0.00 O ATOM 237 CB GLN A 17 -10.988 -7.749 -12.659 1.00 0.00 C ATOM 238 CG GLN A 17 -10.392 -6.640 -11.791 1.00 0.00 C ATOM 239 CD GLN A 17 -10.338 -5.315 -12.554 1.00 0.00 C ATOM 240 OE1 GLN A 17 -9.671 -5.179 -13.567 1.00 0.00 O ATOM 241 NE2 GLN A 17 -11.075 -4.349 -12.014 1.00 0.00 N ATOM 0 H GLN A 17 -12.515 -7.769 -10.118 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.228 -9.473 -12.481 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.192 -8.259 -13.201 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.653 -7.314 -13.405 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.990 -6.519 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.388 -6.922 -11.473 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.610 -4.530 -11.165 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.106 -3.427 -12.449 1.00 0.00 H new ATOM 250 N ARG A 18 -11.161 -10.779 -10.636 1.00 0.00 N ATOM 251 CA ARG A 18 -10.358 -11.624 -9.769 1.00 0.00 C ATOM 252 C ARG A 18 -8.983 -11.868 -10.391 1.00 0.00 C ATOM 253 O ARG A 18 -8.701 -12.964 -10.874 1.00 0.00 O ATOM 254 CB ARG A 18 -11.045 -12.969 -9.521 1.00 0.00 C ATOM 255 CG ARG A 18 -10.973 -13.357 -8.043 1.00 0.00 C ATOM 256 CD ARG A 18 -10.609 -14.834 -7.881 1.00 0.00 C ATOM 257 NE ARG A 18 -11.834 -15.664 -7.906 1.00 0.00 N ATOM 258 CZ ARG A 18 -12.591 -15.919 -6.830 1.00 0.00 C ATOM 259 NH1 ARG A 18 -12.252 -15.411 -5.637 1.00 0.00 N ATOM 260 NH2 ARG A 18 -13.686 -16.682 -6.946 1.00 0.00 N ATOM 0 H ARG A 18 -11.985 -11.233 -11.030 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.242 -11.107 -8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.087 -12.913 -9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.571 -13.741 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.232 -12.739 -7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.933 -13.161 -7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.936 -15.141 -8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.077 -14.985 -6.942 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.120 -16.067 -8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.418 -14.830 -5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.828 -15.605 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.944 -17.069 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.262 -16.876 -6.127 1.00 0.00 H new ATOM 274 N LEU A 19 -8.162 -10.829 -10.359 1.00 0.00 N ATOM 275 CA LEU A 19 -6.820 -10.918 -10.914 1.00 0.00 C ATOM 276 C LEU A 19 -5.983 -11.875 -10.065 1.00 0.00 C ATOM 277 O LEU A 19 -6.145 -11.933 -8.847 1.00 0.00 O ATOM 278 CB LEU A 19 -6.206 -9.523 -11.055 1.00 0.00 C ATOM 279 CG LEU A 19 -6.140 -8.959 -12.475 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.409 -8.173 -12.812 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.876 -8.122 -12.674 1.00 0.00 C ATOM 0 H LEU A 19 -8.399 -9.921 -9.958 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.851 -11.332 -11.922 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.779 -8.832 -10.437 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.195 -9.550 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.085 -9.795 -13.173 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.336 -7.783 -13.827 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.275 -8.831 -12.737 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.521 -7.345 -12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.854 -7.733 -13.692 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.875 -7.292 -11.968 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.997 -8.744 -12.504 1.00 0.00 H new ATOM 293 N PRO A 20 -5.085 -12.623 -10.758 1.00 0.00 N ATOM 294 CA PRO A 20 -4.222 -13.576 -10.082 1.00 0.00 C ATOM 295 C PRO A 20 -3.098 -12.860 -9.329 1.00 0.00 C ATOM 296 O PRO A 20 -2.447 -11.971 -9.878 1.00 0.00 O ATOM 297 CB PRO A 20 -3.710 -14.495 -11.180 1.00 0.00 C ATOM 298 CG PRO A 20 -3.931 -13.746 -12.484 1.00 0.00 C ATOM 299 CD PRO A 20 -4.866 -12.582 -12.201 1.00 0.00 C ATOM 0 HA PRO A 20 -4.747 -14.148 -9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.655 -14.726 -11.036 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.247 -15.443 -11.178 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.983 -13.385 -12.882 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.362 -14.407 -13.236 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.422 -11.635 -12.507 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.804 -12.686 -12.747 1.00 0.00 H new ATOM 307 N VAL A 21 -2.905 -13.274 -8.086 1.00 0.00 N ATOM 308 CA VAL A 21 -1.870 -12.684 -7.253 1.00 0.00 C ATOM 309 C VAL A 21 -0.539 -12.705 -8.008 1.00 0.00 C ATOM 310 O VAL A 21 0.261 -11.779 -7.889 1.00 0.00 O ATOM 311 CB VAL A 21 -1.806 -13.406 -5.906 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.727 -14.490 -5.917 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.578 -12.416 -4.763 1.00 0.00 C ATOM 0 H VAL A 21 -3.447 -14.011 -7.635 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.103 -11.642 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.767 -13.892 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.702 -14.988 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.952 -15.220 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.243 -14.035 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.537 -12.956 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.638 -11.888 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.397 -11.697 -4.735 1.00 0.00 H new ATOM 323 N SER A 22 -0.344 -13.775 -8.766 1.00 0.00 N ATOM 324 CA SER A 22 0.877 -13.929 -9.540 1.00 0.00 C ATOM 325 C SER A 22 1.033 -12.757 -10.511 1.00 0.00 C ATOM 326 O SER A 22 2.148 -12.420 -10.907 1.00 0.00 O ATOM 327 CB SER A 22 0.880 -15.255 -10.303 1.00 0.00 C ATOM 328 OG SER A 22 1.590 -15.160 -11.535 1.00 0.00 O ATOM 0 H SER A 22 -1.010 -14.542 -8.861 1.00 0.00 H new ATOM 0 HA SER A 22 1.721 -13.935 -8.851 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.332 -16.029 -9.683 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.147 -15.563 -10.499 1.00 0.00 H new ATOM 0 HG SER A 22 1.571 -16.027 -11.991 1.00 0.00 H new ATOM 334 N ARG A 23 -0.100 -12.169 -10.866 1.00 0.00 N ATOM 335 CA ARG A 23 -0.101 -11.042 -11.782 1.00 0.00 C ATOM 336 C ARG A 23 0.056 -9.730 -11.012 1.00 0.00 C ATOM 337 O ARG A 23 0.407 -8.703 -11.591 1.00 0.00 O ATOM 338 CB ARG A 23 -1.396 -10.995 -12.596 1.00 0.00 C ATOM 339 CG ARG A 23 -1.122 -11.247 -14.080 1.00 0.00 C ATOM 340 CD ARG A 23 -0.583 -12.660 -14.305 1.00 0.00 C ATOM 341 NE ARG A 23 -0.650 -13.004 -15.744 1.00 0.00 N ATOM 342 CZ ARG A 23 0.198 -12.534 -16.669 1.00 0.00 C ATOM 343 NH1 ARG A 23 1.183 -11.700 -16.312 1.00 0.00 N ATOM 344 NH2 ARG A 23 0.061 -12.900 -17.950 1.00 0.00 N ATOM 0 H ARG A 23 -1.023 -12.452 -10.536 1.00 0.00 H new ATOM 0 HA ARG A 23 0.740 -11.169 -12.464 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.093 -11.743 -12.219 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.873 -10.023 -12.471 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.040 -11.109 -14.652 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.403 -10.516 -14.450 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.447 -12.725 -13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.164 -13.376 -13.724 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.388 -13.638 -16.050 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.288 -11.423 -15.336 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.829 -11.342 -17.016 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.689 -13.536 -18.221 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.706 -12.542 -18.654 1.00 0.00 H new ATOM 358 N ILE A 24 -0.212 -9.806 -9.716 1.00 0.00 N ATOM 359 CA ILE A 24 -0.104 -8.638 -8.859 1.00 0.00 C ATOM 360 C ILE A 24 1.291 -8.595 -8.234 1.00 0.00 C ATOM 361 O ILE A 24 1.921 -9.635 -8.041 1.00 0.00 O ATOM 362 CB ILE A 24 -1.239 -8.620 -7.833 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.587 -8.898 -8.501 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.248 -7.305 -7.050 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.565 -9.541 -7.516 1.00 0.00 C ATOM 0 H ILE A 24 -0.504 -10.659 -9.239 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.219 -7.725 -9.444 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.064 -9.422 -7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.007 -7.967 -8.881 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.443 -9.556 -9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.064 -7.317 -6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.300 -7.188 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.386 -6.472 -7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.515 -9.728 -8.016 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.152 -10.484 -7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.725 -8.870 -6.672 1.00 0.00 H new ATOM 377 N LYS A 25 1.735 -7.383 -7.934 1.00 0.00 N ATOM 378 CA LYS A 25 3.044 -7.192 -7.334 1.00 0.00 C ATOM 379 C LYS A 25 2.874 -6.701 -5.895 1.00 0.00 C ATOM 380 O LYS A 25 3.116 -7.448 -4.948 1.00 0.00 O ATOM 381 CB LYS A 25 3.901 -6.269 -8.202 1.00 0.00 C ATOM 382 CG LYS A 25 5.383 -6.636 -8.096 1.00 0.00 C ATOM 383 CD LYS A 25 5.934 -6.295 -6.709 1.00 0.00 C ATOM 384 CE LYS A 25 7.049 -5.252 -6.803 1.00 0.00 C ATOM 385 NZ LYS A 25 7.564 -4.921 -5.456 1.00 0.00 N ATOM 0 H LYS A 25 1.211 -6.523 -8.096 1.00 0.00 H new ATOM 0 HA LYS A 25 3.583 -8.138 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.579 -6.339 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.756 -5.234 -7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.513 -7.700 -8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.949 -6.101 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.130 -5.917 -6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.315 -7.198 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.859 -5.632 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.672 -4.351 -7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.320 -4.212 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.792 -4.538 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.942 -5.780 -5.008 1.00 0.00 H new ATOM 399 N THR A 26 2.460 -5.448 -5.776 1.00 0.00 N ATOM 400 CA THR A 26 2.255 -4.849 -4.468 1.00 0.00 C ATOM 401 C THR A 26 0.804 -4.390 -4.313 1.00 0.00 C ATOM 402 O THR A 26 0.059 -4.333 -5.291 1.00 0.00 O ATOM 403 CB THR A 26 3.271 -3.717 -4.303 1.00 0.00 C ATOM 404 OG1 THR A 26 3.234 -3.419 -2.910 1.00 0.00 O ATOM 405 CG2 THR A 26 2.817 -2.420 -4.974 1.00 0.00 C ATOM 0 H THR A 26 2.261 -4.831 -6.564 1.00 0.00 H new ATOM 0 HA THR A 26 2.421 -5.573 -3.671 1.00 0.00 H new ATOM 0 HB THR A 26 4.229 -4.025 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.865 -2.696 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.574 -1.650 -4.827 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.677 -2.592 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.876 -2.092 -4.533 1.00 0.00 H new ATOM 413 N TYR A 27 0.445 -4.076 -3.077 1.00 0.00 N ATOM 414 CA TYR A 27 -0.904 -3.624 -2.782 1.00 0.00 C ATOM 415 C TYR A 27 -0.888 -2.467 -1.782 1.00 0.00 C ATOM 416 O TYR A 27 0.103 -2.259 -1.082 1.00 0.00 O ATOM 417 CB TYR A 27 -1.620 -4.819 -2.149 1.00 0.00 C ATOM 418 CG TYR A 27 -0.839 -5.482 -1.013 1.00 0.00 C ATOM 419 CD1 TYR A 27 0.333 -6.159 -1.284 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.306 -5.402 0.284 1.00 0.00 C ATOM 421 CE1 TYR A 27 1.068 -6.783 -0.215 1.00 0.00 C ATOM 422 CE2 TYR A 27 -0.570 -6.027 1.353 1.00 0.00 C ATOM 423 CZ TYR A 27 0.580 -6.686 1.051 1.00 0.00 C ATOM 424 OH TYR A 27 1.275 -7.275 2.061 1.00 0.00 O ATOM 0 H TYR A 27 1.065 -4.126 -2.268 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.398 -3.272 -3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.587 -4.490 -1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.818 -5.562 -2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.699 -6.221 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.222 -4.871 0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.986 -7.316 -0.414 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.924 -5.973 2.372 1.00 0.00 H new ATOM 0 HH TYR A 27 1.805 -6.598 2.532 1.00 0.00 H new ATOM 434 N THR A 28 -1.996 -1.741 -1.746 1.00 0.00 N ATOM 435 CA THR A 28 -2.122 -0.610 -0.843 1.00 0.00 C ATOM 436 C THR A 28 -3.555 -0.505 -0.317 1.00 0.00 C ATOM 437 O THR A 28 -4.500 -0.391 -1.097 1.00 0.00 O ATOM 438 CB THR A 28 -1.654 0.642 -1.586 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.298 0.803 -1.176 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.347 1.912 -1.089 1.00 0.00 C ATOM 0 H THR A 28 -2.815 -1.915 -2.328 1.00 0.00 H new ATOM 0 HA THR A 28 -1.494 -0.736 0.039 1.00 0.00 H new ATOM 0 HB THR A 28 -1.841 0.521 -2.653 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.138 -0.074 -1.135 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.978 2.771 -1.650 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.423 1.819 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.134 2.052 -0.029 1.00 0.00 H new ATOM 448 N ILE A 29 -3.672 -0.544 1.002 1.00 0.00 N ATOM 449 CA ILE A 29 -4.973 -0.454 1.641 1.00 0.00 C ATOM 450 C ILE A 29 -5.144 0.941 2.247 1.00 0.00 C ATOM 451 O ILE A 29 -4.219 1.473 2.860 1.00 0.00 O ATOM 452 CB ILE A 29 -5.154 -1.589 2.651 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.347 -2.930 1.940 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.299 -1.284 3.619 1.00 0.00 C ATOM 455 CD1 ILE A 29 -4.067 -3.356 1.217 1.00 0.00 C ATOM 0 H ILE A 29 -2.886 -0.637 1.646 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.768 -0.582 0.906 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.243 -1.667 3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.630 -3.693 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.165 -2.852 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.406 -2.106 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.081 -0.364 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.226 -1.163 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.231 -4.312 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.800 -2.603 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.257 -3.457 1.940 1.00 0.00 H new ATOM 467 N THR A 30 -6.332 1.494 2.055 1.00 0.00 N ATOM 468 CA THR A 30 -6.635 2.816 2.576 1.00 0.00 C ATOM 469 C THR A 30 -7.490 2.710 3.840 1.00 0.00 C ATOM 470 O THR A 30 -8.117 1.680 4.084 1.00 0.00 O ATOM 471 CB THR A 30 -7.301 3.622 1.457 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.136 2.675 0.797 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.308 4.060 0.380 1.00 0.00 C ATOM 0 H THR A 30 -7.097 1.051 1.546 1.00 0.00 H new ATOM 0 HA THR A 30 -5.728 3.339 2.880 1.00 0.00 H new ATOM 0 HB THR A 30 -7.785 4.501 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.353 3.000 -0.102 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.832 4.628 -0.389 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.536 4.685 0.829 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.847 3.180 -0.069 1.00 0.00 H new ATOM 481 N GLU A 31 -7.488 3.787 4.610 1.00 0.00 N ATOM 482 CA GLU A 31 -8.255 3.828 5.843 1.00 0.00 C ATOM 483 C GLU A 31 -9.315 4.928 5.773 1.00 0.00 C ATOM 484 O GLU A 31 -10.288 4.906 6.526 1.00 0.00 O ATOM 485 CB GLU A 31 -7.338 4.024 7.052 1.00 0.00 C ATOM 486 CG GLU A 31 -7.344 2.786 7.952 1.00 0.00 C ATOM 487 CD GLU A 31 -8.367 2.934 9.080 1.00 0.00 C ATOM 488 OE1 GLU A 31 -9.570 3.017 8.750 1.00 0.00 O ATOM 489 OE2 GLU A 31 -7.924 2.960 10.250 1.00 0.00 O ATOM 0 H GLU A 31 -6.967 4.639 4.404 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.762 2.871 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.322 4.227 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.663 4.894 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.577 1.902 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.351 2.634 8.374 1.00 0.00 H new ATOM 496 N GLY A 32 -9.091 5.865 4.863 1.00 0.00 N ATOM 497 CA GLY A 32 -10.014 6.972 4.684 1.00 0.00 C ATOM 498 C GLY A 32 -11.341 6.489 4.095 1.00 0.00 C ATOM 499 O GLY A 32 -11.568 5.286 3.969 1.00 0.00 O ATOM 0 H GLY A 32 -8.282 5.880 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.193 7.459 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.570 7.718 4.025 1.00 0.00 H new ATOM 503 N SER A 33 -12.184 7.451 3.750 1.00 0.00 N ATOM 504 CA SER A 33 -13.481 7.140 3.177 1.00 0.00 C ATOM 505 C SER A 33 -13.332 6.072 2.091 1.00 0.00 C ATOM 506 O SER A 33 -14.276 5.337 1.804 1.00 0.00 O ATOM 507 CB SER A 33 -14.145 8.393 2.600 1.00 0.00 C ATOM 508 OG SER A 33 -15.208 8.861 3.424 1.00 0.00 O ATOM 0 H SER A 33 -11.993 8.447 3.857 1.00 0.00 H new ATOM 0 HA SER A 33 -14.121 6.756 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.399 9.180 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.528 8.174 1.603 1.00 0.00 H new ATOM 0 HG SER A 33 -15.605 9.662 3.023 1.00 0.00 H new ATOM 514 N LEU A 34 -12.139 6.018 1.519 1.00 0.00 N ATOM 515 CA LEU A 34 -11.853 5.052 0.472 1.00 0.00 C ATOM 516 C LEU A 34 -11.911 3.639 1.058 1.00 0.00 C ATOM 517 O LEU A 34 -12.674 2.798 0.587 1.00 0.00 O ATOM 518 CB LEU A 34 -10.525 5.380 -0.212 1.00 0.00 C ATOM 519 CG LEU A 34 -10.625 6.006 -1.605 1.00 0.00 C ATOM 520 CD1 LEU A 34 -10.475 7.527 -1.533 1.00 0.00 C ATOM 521 CD2 LEU A 34 -9.613 5.374 -2.563 1.00 0.00 C ATOM 0 H LEU A 34 -11.358 6.628 1.761 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.609 5.104 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.966 6.060 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.942 4.462 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.618 5.799 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.550 7.948 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.264 7.941 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.504 7.777 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.705 5.836 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.604 5.530 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.809 4.305 -2.645 1.00 0.00 H new ATOM 533 N ARG A 35 -11.094 3.423 2.079 1.00 0.00 N ATOM 534 CA ARG A 35 -11.042 2.128 2.735 1.00 0.00 C ATOM 535 C ARG A 35 -11.191 1.006 1.705 1.00 0.00 C ATOM 536 O ARG A 35 -12.144 0.230 1.760 1.00 0.00 O ATOM 537 CB ARG A 35 -12.147 1.997 3.785 1.00 0.00 C ATOM 538 CG ARG A 35 -11.772 0.965 4.851 1.00 0.00 C ATOM 539 CD ARG A 35 -12.485 1.259 6.172 1.00 0.00 C ATOM 540 NE ARG A 35 -13.273 0.079 6.594 1.00 0.00 N ATOM 541 CZ ARG A 35 -14.503 -0.203 6.144 1.00 0.00 C ATOM 542 NH1 ARG A 35 -15.093 0.607 5.255 1.00 0.00 N ATOM 543 NH2 ARG A 35 -15.143 -1.295 6.583 1.00 0.00 N ATOM 0 H ARG A 35 -10.463 4.124 2.468 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.075 2.046 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.322 2.964 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.079 1.704 3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.037 -0.034 4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.693 0.973 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.755 1.513 6.940 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.140 2.122 6.057 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.853 -0.559 7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.606 1.438 4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.029 0.392 4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.694 -1.912 7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.079 -1.510 6.240 1.00 0.00 H new ATOM 557 N ALA A 36 -10.233 0.955 0.790 1.00 0.00 N ATOM 558 CA ALA A 36 -10.246 -0.059 -0.250 1.00 0.00 C ATOM 559 C ALA A 36 -8.835 -0.629 -0.418 1.00 0.00 C ATOM 560 O ALA A 36 -7.853 0.026 -0.074 1.00 0.00 O ATOM 561 CB ALA A 36 -10.788 0.546 -1.547 1.00 0.00 C ATOM 0 H ALA A 36 -9.443 1.599 0.748 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.904 -0.883 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.798 -0.215 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.802 0.910 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.151 1.374 -1.856 1.00 0.00 H new ATOM 567 N VAL A 37 -8.781 -1.843 -0.945 1.00 0.00 N ATOM 568 CA VAL A 37 -7.508 -2.509 -1.162 1.00 0.00 C ATOM 569 C VAL A 37 -7.063 -2.290 -2.610 1.00 0.00 C ATOM 570 O VAL A 37 -7.732 -2.735 -3.543 1.00 0.00 O ATOM 571 CB VAL A 37 -7.620 -3.988 -0.789 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.326 -4.161 0.558 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.334 -4.779 -1.886 1.00 0.00 C ATOM 0 H VAL A 37 -9.599 -2.383 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.740 -2.083 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.610 -4.386 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.393 -5.222 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.760 -3.647 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.329 -3.738 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.400 -5.827 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.338 -4.378 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.774 -4.696 -2.818 1.00 0.00 H new ATOM 583 N ILE A 38 -5.939 -1.606 -2.753 1.00 0.00 N ATOM 584 CA ILE A 38 -5.397 -1.323 -4.071 1.00 0.00 C ATOM 585 C ILE A 38 -4.366 -2.392 -4.435 1.00 0.00 C ATOM 586 O ILE A 38 -3.475 -2.695 -3.643 1.00 0.00 O ATOM 587 CB ILE A 38 -4.850 0.105 -4.131 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.929 1.122 -3.754 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.237 0.401 -5.502 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.959 1.271 -4.874 1.00 0.00 C ATOM 0 H ILE A 38 -5.388 -1.239 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.184 -1.370 -4.824 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.051 0.195 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.427 0.806 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.467 2.088 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.856 1.422 -5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.420 -0.294 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.998 0.286 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.714 2.000 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.462 1.611 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.436 0.309 -5.060 1.00 0.00 H new ATOM 602 N PHE A 39 -4.520 -2.935 -5.633 1.00 0.00 N ATOM 603 CA PHE A 39 -3.613 -3.965 -6.112 1.00 0.00 C ATOM 604 C PHE A 39 -2.757 -3.447 -7.270 1.00 0.00 C ATOM 605 O PHE A 39 -3.282 -3.094 -8.324 1.00 0.00 O ATOM 606 CB PHE A 39 -4.476 -5.125 -6.610 1.00 0.00 C ATOM 607 CG PHE A 39 -5.044 -6.003 -5.492 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.211 -6.775 -4.745 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.383 -6.011 -5.248 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.738 -7.590 -3.708 1.00 0.00 C ATOM 611 CE2 PHE A 39 -6.909 -6.826 -4.211 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.076 -7.598 -3.464 1.00 0.00 C ATOM 0 H PHE A 39 -5.260 -2.681 -6.287 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.943 -4.273 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.302 -4.724 -7.198 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.881 -5.746 -7.279 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.149 -6.769 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.045 -5.398 -5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.077 -8.203 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.971 -6.833 -4.016 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.477 -8.218 -2.676 1.00 0.00 H new ATOM 622 N ILE A 40 -1.455 -3.418 -7.034 1.00 0.00 N ATOM 623 CA ILE A 40 -0.521 -2.950 -8.044 1.00 0.00 C ATOM 624 C ILE A 40 0.175 -4.152 -8.685 1.00 0.00 C ATOM 625 O ILE A 40 0.785 -4.964 -7.991 1.00 0.00 O ATOM 626 CB ILE A 40 0.447 -1.927 -7.445 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.282 -0.973 -6.496 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.200 -1.176 -8.545 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.689 0.038 -5.882 1.00 0.00 C ATOM 0 H ILE A 40 -1.024 -3.711 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.051 -2.426 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 40 1.190 -2.464 -6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.067 -0.446 -7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.768 -1.543 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.881 -0.455 -8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.769 -1.885 -9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.487 -0.652 -9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.145 0.704 -5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.459 -0.492 -5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.155 0.623 -6.675 1.00 0.00 H new ATOM 641 N THR A 41 0.060 -4.227 -10.003 1.00 0.00 N ATOM 642 CA THR A 41 0.671 -5.316 -10.746 1.00 0.00 C ATOM 643 C THR A 41 2.056 -4.908 -11.249 1.00 0.00 C ATOM 644 O THR A 41 2.399 -3.726 -11.247 1.00 0.00 O ATOM 645 CB THR A 41 -0.288 -5.719 -11.868 1.00 0.00 C ATOM 646 OG1 THR A 41 -0.829 -4.482 -12.324 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.505 -6.488 -11.351 1.00 0.00 C ATOM 0 H THR A 41 -0.447 -3.552 -10.575 1.00 0.00 H new ATOM 0 HA THR A 41 0.834 -6.186 -10.110 1.00 0.00 H new ATOM 0 HB THR A 41 0.244 -6.329 -12.597 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.679 -4.309 -11.868 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.153 -6.750 -12.188 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.175 -7.398 -10.850 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.056 -5.865 -10.646 1.00 0.00 H new ATOM 655 N LYS A 42 2.817 -5.908 -11.668 1.00 0.00 N ATOM 656 CA LYS A 42 4.159 -5.668 -12.173 1.00 0.00 C ATOM 657 C LYS A 42 4.081 -4.774 -13.413 1.00 0.00 C ATOM 658 O LYS A 42 5.019 -4.037 -13.711 1.00 0.00 O ATOM 659 CB LYS A 42 4.886 -6.993 -12.415 1.00 0.00 C ATOM 660 CG LYS A 42 4.053 -7.921 -13.301 1.00 0.00 C ATOM 661 CD LYS A 42 4.049 -9.348 -12.749 1.00 0.00 C ATOM 662 CE LYS A 42 3.439 -9.392 -11.347 1.00 0.00 C ATOM 663 NZ LYS A 42 4.212 -10.304 -10.474 1.00 0.00 N ATOM 0 H LYS A 42 2.530 -6.887 -11.668 1.00 0.00 H new ATOM 0 HA LYS A 42 4.755 -5.135 -11.432 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.850 -6.802 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.089 -7.480 -11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.030 -7.549 -13.364 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.455 -7.920 -14.314 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.483 -9.998 -13.416 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.068 -9.733 -12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.428 -8.390 -10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.403 -9.726 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.238 -9.921 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.760 -11.240 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.182 -10.393 -10.837 1.00 0.00 H new ATOM 677 N ARG A 43 2.953 -4.870 -14.101 1.00 0.00 N ATOM 678 CA ARG A 43 2.739 -4.080 -15.301 1.00 0.00 C ATOM 679 C ARG A 43 2.586 -2.600 -14.942 1.00 0.00 C ATOM 680 O ARG A 43 2.784 -1.729 -15.788 1.00 0.00 O ATOM 681 CB ARG A 43 1.491 -4.547 -16.054 1.00 0.00 C ATOM 682 CG ARG A 43 1.465 -3.982 -17.476 1.00 0.00 C ATOM 683 CD ARG A 43 0.122 -3.315 -17.777 1.00 0.00 C ATOM 684 NE ARG A 43 -0.175 -3.405 -19.224 1.00 0.00 N ATOM 685 CZ ARG A 43 -1.396 -3.241 -19.751 1.00 0.00 C ATOM 686 NH1 ARG A 43 -2.440 -2.977 -18.955 1.00 0.00 N ATOM 687 NH2 ARG A 43 -1.572 -3.339 -21.076 1.00 0.00 N ATOM 0 H ARG A 43 2.177 -5.483 -13.850 1.00 0.00 H new ATOM 0 HA ARG A 43 3.608 -4.214 -15.945 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.471 -5.636 -16.091 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.597 -4.230 -15.516 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.270 -3.257 -17.598 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.646 -4.783 -18.193 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.670 -3.798 -17.204 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.148 -2.270 -17.467 1.00 0.00 H new ATOM 0 HE ARG A 43 0.598 -3.604 -19.859 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.306 -2.901 -17.947 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.369 -2.852 -19.357 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.777 -3.538 -21.683 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.501 -3.214 -21.478 1.00 0.00 H new ATOM 701 N GLY A 44 2.235 -2.362 -13.688 1.00 0.00 N ATOM 702 CA GLY A 44 2.054 -1.003 -13.206 1.00 0.00 C ATOM 703 C GLY A 44 0.569 -0.643 -13.128 1.00 0.00 C ATOM 704 O GLY A 44 0.215 0.466 -12.730 1.00 0.00 O ATOM 0 H GLY A 44 2.071 -3.087 -12.990 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.509 -0.899 -12.221 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.567 -0.307 -13.870 1.00 0.00 H new ATOM 708 N LEU A 45 -0.261 -1.601 -13.514 1.00 0.00 N ATOM 709 CA LEU A 45 -1.699 -1.399 -13.492 1.00 0.00 C ATOM 710 C LEU A 45 -2.215 -1.583 -12.063 1.00 0.00 C ATOM 711 O LEU A 45 -2.116 -2.672 -11.500 1.00 0.00 O ATOM 712 CB LEU A 45 -2.384 -2.309 -14.514 1.00 0.00 C ATOM 713 CG LEU A 45 -3.762 -2.842 -14.121 1.00 0.00 C ATOM 714 CD1 LEU A 45 -4.695 -1.701 -13.710 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.361 -3.696 -15.242 1.00 0.00 C ATOM 0 H LEU A 45 0.036 -2.519 -13.844 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.944 -0.380 -13.791 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.482 -1.760 -15.451 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.730 -3.159 -14.710 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.642 -3.489 -13.252 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.668 -2.108 -13.435 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.269 -1.172 -12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.813 -1.009 -14.544 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.341 -4.062 -14.936 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.464 -3.092 -16.144 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.705 -4.542 -15.445 1.00 0.00 H new ATOM 727 N LYS A 46 -2.753 -0.503 -11.519 1.00 0.00 N ATOM 728 CA LYS A 46 -3.284 -0.531 -10.166 1.00 0.00 C ATOM 729 C LYS A 46 -4.813 -0.556 -10.223 1.00 0.00 C ATOM 730 O LYS A 46 -5.420 0.160 -11.018 1.00 0.00 O ATOM 731 CB LYS A 46 -2.718 0.628 -9.344 1.00 0.00 C ATOM 732 CG LYS A 46 -1.419 1.153 -9.957 1.00 0.00 C ATOM 733 CD LYS A 46 -0.463 1.654 -8.872 1.00 0.00 C ATOM 734 CE LYS A 46 -1.144 2.693 -7.979 1.00 0.00 C ATOM 735 NZ LYS A 46 -1.124 4.024 -8.627 1.00 0.00 N ATOM 0 H LYS A 46 -2.833 0.398 -11.990 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.969 -1.439 -9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.451 1.433 -9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.534 0.298 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.939 0.362 -10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.642 1.962 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.123 0.814 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.422 2.091 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.173 2.393 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.636 2.743 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.590 4.718 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.139 4.314 -8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.629 3.976 -9.535 1.00 0.00 H new ATOM 749 N VAL A 47 -5.391 -1.390 -9.371 1.00 0.00 N ATOM 750 CA VAL A 47 -6.837 -1.518 -9.315 1.00 0.00 C ATOM 751 C VAL A 47 -7.295 -1.448 -7.856 1.00 0.00 C ATOM 752 O VAL A 47 -6.474 -1.497 -6.942 1.00 0.00 O ATOM 753 CB VAL A 47 -7.276 -2.804 -10.018 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.396 -3.960 -9.023 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.590 -2.594 -10.775 1.00 0.00 C ATOM 0 H VAL A 47 -4.884 -1.983 -8.714 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.314 -0.694 -9.846 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.508 -3.067 -10.745 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.709 -4.862 -9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.430 -4.134 -8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.134 -3.709 -8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.880 -3.523 -11.266 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.370 -2.295 -10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.457 -1.814 -11.525 1.00 0.00 H new ATOM 765 N CYS A 48 -8.603 -1.335 -7.686 1.00 0.00 N ATOM 766 CA CYS A 48 -9.180 -1.259 -6.354 1.00 0.00 C ATOM 767 C CYS A 48 -10.049 -2.498 -6.134 1.00 0.00 C ATOM 768 O CYS A 48 -10.562 -3.078 -7.090 1.00 0.00 O ATOM 769 CB CYS A 48 -9.970 0.036 -6.153 1.00 0.00 C ATOM 770 SG CYS A 48 -9.293 1.493 -7.029 1.00 0.00 S ATOM 0 H CYS A 48 -9.280 -1.294 -8.448 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.383 -1.240 -5.611 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.996 -0.126 -6.485 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.011 0.258 -5.087 1.00 0.00 H new ATOM 775 N ALA A 49 -10.190 -2.867 -4.869 1.00 0.00 N ATOM 776 CA ALA A 49 -10.989 -4.027 -4.512 1.00 0.00 C ATOM 777 C ALA A 49 -11.525 -3.853 -3.090 1.00 0.00 C ATOM 778 O ALA A 49 -10.941 -3.129 -2.286 1.00 0.00 O ATOM 779 CB ALA A 49 -10.146 -5.295 -4.666 1.00 0.00 C ATOM 0 H ALA A 49 -9.764 -2.383 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.846 -4.122 -5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.745 -6.165 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.814 -5.388 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.278 -5.237 -4.010 1.00 0.00 H new ATOM 785 N ASP A 50 -12.633 -4.529 -2.823 1.00 0.00 N ATOM 786 CA ASP A 50 -13.255 -4.459 -1.512 1.00 0.00 C ATOM 787 C ASP A 50 -12.582 -5.466 -0.578 1.00 0.00 C ATOM 788 O ASP A 50 -12.429 -6.636 -0.928 1.00 0.00 O ATOM 789 CB ASP A 50 -14.743 -4.806 -1.588 1.00 0.00 C ATOM 790 CG ASP A 50 -15.693 -3.617 -1.435 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.726 -3.057 -0.318 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.366 -3.294 -2.438 1.00 0.00 O ATOM 0 H ASP A 50 -13.116 -5.128 -3.493 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.141 -3.441 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.940 -5.288 -2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.971 -5.536 -0.811 1.00 0.00 H new ATOM 797 N PRO A 51 -12.188 -4.963 0.623 1.00 0.00 N ATOM 798 CA PRO A 51 -11.535 -5.807 1.610 1.00 0.00 C ATOM 799 C PRO A 51 -12.544 -6.735 2.290 1.00 0.00 C ATOM 800 O PRO A 51 -12.179 -7.517 3.167 1.00 0.00 O ATOM 801 CB PRO A 51 -10.872 -4.839 2.576 1.00 0.00 C ATOM 802 CG PRO A 51 -11.560 -3.501 2.364 1.00 0.00 C ATOM 803 CD PRO A 51 -12.353 -3.584 1.070 1.00 0.00 C ATOM 0 HA PRO A 51 -10.797 -6.478 1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.985 -5.177 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.802 -4.763 2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.219 -3.274 3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.825 -2.698 2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.404 -3.344 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.976 -2.879 0.329 1.00 0.00 H new ATOM 811 N GLN A 52 -13.791 -6.619 1.860 1.00 0.00 N ATOM 812 CA GLN A 52 -14.854 -7.438 2.417 1.00 0.00 C ATOM 813 C GLN A 52 -14.861 -8.818 1.758 1.00 0.00 C ATOM 814 O GLN A 52 -15.513 -9.741 2.247 1.00 0.00 O ATOM 815 CB GLN A 52 -16.213 -6.751 2.265 1.00 0.00 C ATOM 816 CG GLN A 52 -17.164 -7.162 3.389 1.00 0.00 C ATOM 817 CD GLN A 52 -17.397 -6.004 4.362 1.00 0.00 C ATOM 818 OE1 GLN A 52 -16.915 -4.899 4.178 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.161 -6.318 5.405 1.00 0.00 N ATOM 0 H GLN A 52 -14.090 -5.970 1.132 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.666 -7.567 3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.080 -5.669 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.650 -7.011 1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.116 -7.483 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.750 -8.015 3.926 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -18.533 -7.263 5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.375 -5.614 6.111 1.00 0.00 H new ATOM 828 N ALA A 53 -14.127 -8.919 0.660 1.00 0.00 N ATOM 829 CA ALA A 53 -14.040 -10.172 -0.071 1.00 0.00 C ATOM 830 C ALA A 53 -12.998 -11.074 0.594 1.00 0.00 C ATOM 831 O ALA A 53 -11.903 -10.623 0.926 1.00 0.00 O ATOM 832 CB ALA A 53 -13.714 -9.885 -1.538 1.00 0.00 C ATOM 0 H ALA A 53 -13.586 -8.153 0.258 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.994 -10.699 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.649 -10.825 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.500 -9.266 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.761 -9.360 -1.603 1.00 0.00 H new ATOM 838 N THR A 54 -13.376 -12.331 0.768 1.00 0.00 N ATOM 839 CA THR A 54 -12.488 -13.301 1.387 1.00 0.00 C ATOM 840 C THR A 54 -11.318 -13.623 0.456 1.00 0.00 C ATOM 841 O THR A 54 -10.177 -13.736 0.903 1.00 0.00 O ATOM 842 CB THR A 54 -13.319 -14.528 1.767 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.968 -14.147 2.976 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.449 -15.721 2.169 1.00 0.00 C ATOM 0 H THR A 54 -14.285 -12.701 0.491 1.00 0.00 H new ATOM 0 HA THR A 54 -12.038 -12.902 2.296 1.00 0.00 H new ATOM 0 HB THR A 54 -13.956 -14.810 0.929 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.530 -14.885 3.292 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.087 -16.565 2.429 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.803 -15.998 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.836 -15.451 3.029 1.00 0.00 H new ATOM 852 N TRP A 55 -11.640 -13.760 -0.822 1.00 0.00 N ATOM 853 CA TRP A 55 -10.631 -14.067 -1.821 1.00 0.00 C ATOM 854 C TRP A 55 -9.593 -12.944 -1.804 1.00 0.00 C ATOM 855 O TRP A 55 -8.407 -13.184 -2.027 1.00 0.00 O ATOM 856 CB TRP A 55 -11.266 -14.275 -3.196 1.00 0.00 C ATOM 857 CG TRP A 55 -11.434 -12.987 -4.005 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.498 -12.173 -4.048 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.461 -12.395 -4.891 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.282 -11.104 -4.893 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.005 -11.242 -5.421 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.164 -12.818 -5.232 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.323 -10.419 -6.325 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.496 -11.983 -6.136 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.029 -10.820 -6.679 1.00 0.00 C ATOM 0 H TRP A 55 -12.587 -13.664 -1.189 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.130 -15.007 -1.588 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.653 -14.973 -3.766 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.243 -14.741 -3.067 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.409 -12.334 -3.491 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.940 -10.350 -5.093 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.719 -13.715 -4.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.771 -9.523 -6.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.496 -12.263 -6.432 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.448 -10.228 -7.371 1.00 0.00 H new ATOM 876 N VAL A 56 -10.077 -11.739 -1.538 1.00 0.00 N ATOM 877 CA VAL A 56 -9.205 -10.576 -1.489 1.00 0.00 C ATOM 878 C VAL A 56 -8.273 -10.693 -0.282 1.00 0.00 C ATOM 879 O VAL A 56 -7.067 -10.485 -0.402 1.00 0.00 O ATOM 880 CB VAL A 56 -10.043 -9.296 -1.477 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.195 -8.091 -1.062 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.702 -9.059 -2.838 1.00 0.00 C ATOM 0 H VAL A 56 -11.061 -11.543 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.578 -10.530 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.835 -9.420 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.814 -7.194 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.793 -8.256 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.373 -7.964 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.292 -8.143 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.932 -8.965 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.352 -9.900 -3.079 1.00 0.00 H new ATOM 892 N ARG A 57 -8.868 -11.024 0.855 1.00 0.00 N ATOM 893 CA ARG A 57 -8.107 -11.171 2.083 1.00 0.00 C ATOM 894 C ARG A 57 -7.119 -12.333 1.960 1.00 0.00 C ATOM 895 O ARG A 57 -6.011 -12.270 2.491 1.00 0.00 O ATOM 896 CB ARG A 57 -9.029 -11.420 3.278 1.00 0.00 C ATOM 897 CG ARG A 57 -9.110 -10.183 4.174 1.00 0.00 C ATOM 898 CD ARG A 57 -10.456 -10.120 4.901 1.00 0.00 C ATOM 899 NE ARG A 57 -10.266 -9.601 6.273 1.00 0.00 N ATOM 900 CZ ARG A 57 -11.222 -9.597 7.213 1.00 0.00 C ATOM 901 NH1 ARG A 57 -12.438 -10.085 6.935 1.00 0.00 N ATOM 902 NH2 ARG A 57 -10.961 -9.105 8.432 1.00 0.00 N ATOM 0 H ARG A 57 -9.869 -11.195 0.951 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.562 -10.241 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.026 -11.683 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.661 -12.268 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.300 -10.204 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.975 -9.284 3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.145 -9.478 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.906 -11.112 4.938 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.351 -9.223 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.637 -10.460 6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.165 -10.082 7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.035 -8.734 8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.688 -9.102 9.147 1.00 0.00 H new ATOM 916 N ASP A 58 -7.555 -13.366 1.256 1.00 0.00 N ATOM 917 CA ASP A 58 -6.724 -14.541 1.057 1.00 0.00 C ATOM 918 C ASP A 58 -5.563 -14.186 0.125 1.00 0.00 C ATOM 919 O ASP A 58 -4.420 -14.564 0.379 1.00 0.00 O ATOM 920 CB ASP A 58 -7.519 -15.676 0.409 1.00 0.00 C ATOM 921 CG ASP A 58 -7.474 -17.009 1.161 1.00 0.00 C ATOM 922 OD1 ASP A 58 -8.017 -17.044 2.286 1.00 0.00 O ATOM 923 OD2 ASP A 58 -6.898 -17.961 0.592 1.00 0.00 O ATOM 0 H ASP A 58 -8.474 -13.414 0.816 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.361 -14.866 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.559 -15.364 0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.141 -15.833 -0.601 1.00 0.00 H new ATOM 928 N VAL A 59 -5.897 -13.465 -0.935 1.00 0.00 N ATOM 929 CA VAL A 59 -4.897 -13.055 -1.906 1.00 0.00 C ATOM 930 C VAL A 59 -3.933 -12.064 -1.252 1.00 0.00 C ATOM 931 O VAL A 59 -2.735 -12.083 -1.529 1.00 0.00 O ATOM 932 CB VAL A 59 -5.579 -12.490 -3.154 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.615 -11.616 -3.958 1.00 0.00 C ATOM 934 CG2 VAL A 59 -6.153 -13.613 -4.021 1.00 0.00 C ATOM 0 H VAL A 59 -6.846 -13.154 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.309 -13.913 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.407 -11.862 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.125 -11.227 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.275 -10.785 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.757 -12.212 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.632 -13.184 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.349 -14.279 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.888 -14.177 -3.446 1.00 0.00 H new ATOM 944 N VAL A 60 -4.492 -11.221 -0.397 1.00 0.00 N ATOM 945 CA VAL A 60 -3.698 -10.224 0.300 1.00 0.00 C ATOM 946 C VAL A 60 -2.614 -10.924 1.122 1.00 0.00 C ATOM 947 O VAL A 60 -1.476 -10.461 1.180 1.00 0.00 O ATOM 948 CB VAL A 60 -4.605 -9.328 1.146 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.781 -8.422 2.062 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.542 -8.505 0.260 1.00 0.00 C ATOM 0 H VAL A 60 -5.487 -11.208 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.194 -9.572 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.219 -9.972 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.450 -7.796 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.174 -9.034 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.130 -7.789 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.176 -7.877 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.953 -7.876 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.166 -9.175 -0.331 1.00 0.00 H new ATOM 960 N ARG A 61 -3.006 -12.030 1.739 1.00 0.00 N ATOM 961 CA ARG A 61 -2.084 -12.799 2.556 1.00 0.00 C ATOM 962 C ARG A 61 -0.905 -13.284 1.710 1.00 0.00 C ATOM 963 O ARG A 61 0.246 -13.197 2.135 1.00 0.00 O ATOM 964 CB ARG A 61 -2.781 -14.006 3.187 1.00 0.00 C ATOM 965 CG ARG A 61 -1.798 -14.838 4.010 1.00 0.00 C ATOM 966 CD ARG A 61 -1.384 -14.098 5.284 1.00 0.00 C ATOM 967 NE ARG A 61 -1.910 -14.804 6.473 1.00 0.00 N ATOM 968 CZ ARG A 61 -1.424 -14.652 7.713 1.00 0.00 C ATOM 969 NH1 ARG A 61 -0.398 -13.819 7.934 1.00 0.00 N ATOM 970 NH2 ARG A 61 -1.964 -15.334 8.732 1.00 0.00 N ATOM 0 H ARG A 61 -3.951 -12.411 1.689 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.722 -12.147 3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.598 -13.667 3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.222 -14.625 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.255 -15.793 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.915 -15.061 3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.297 -14.034 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.763 -13.076 5.260 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.691 -15.446 6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.014 -13.300 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.029 -13.704 8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.745 -15.969 8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.594 -15.219 9.676 1.00 0.00 H new ATOM 984 N SER A 62 -1.232 -13.786 0.529 1.00 0.00 N ATOM 985 CA SER A 62 -0.214 -14.286 -0.380 1.00 0.00 C ATOM 986 C SER A 62 0.559 -13.117 -0.993 1.00 0.00 C ATOM 987 O SER A 62 1.761 -13.221 -1.234 1.00 0.00 O ATOM 988 CB SER A 62 -0.835 -15.148 -1.481 1.00 0.00 C ATOM 989 OG SER A 62 0.012 -16.233 -1.851 1.00 0.00 O ATOM 0 H SER A 62 -2.188 -13.858 0.180 1.00 0.00 H new ATOM 0 HA SER A 62 0.475 -14.911 0.188 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.794 -15.537 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.035 -14.530 -2.356 1.00 0.00 H new ATOM 0 HG SER A 62 -0.420 -16.760 -2.555 1.00 0.00 H new ATOM 995 N MET A 63 -0.162 -12.030 -1.228 1.00 0.00 N ATOM 996 CA MET A 63 0.442 -10.843 -1.809 1.00 0.00 C ATOM 997 C MET A 63 1.678 -10.415 -1.018 1.00 0.00 C ATOM 998 O MET A 63 2.707 -10.077 -1.603 1.00 0.00 O ATOM 999 CB MET A 63 -0.579 -9.703 -1.818 1.00 0.00 C ATOM 1000 CG MET A 63 -1.468 -9.773 -3.063 1.00 0.00 C ATOM 1001 SD MET A 63 -0.475 -9.565 -4.532 1.00 0.00 S ATOM 1002 CE MET A 63 0.425 -8.087 -4.093 1.00 0.00 C ATOM 0 H MET A 63 -1.158 -11.947 -1.027 1.00 0.00 H new ATOM 0 HA MET A 63 0.749 -11.076 -2.829 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.197 -9.756 -0.922 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.060 -8.745 -1.791 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.986 -10.731 -3.097 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.233 -8.998 -3.018 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.829 -7.626 -4.994 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.246 -7.386 -3.597 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.242 -8.345 -3.420 1.00 0.00 H new ATOM 1012 N ASP A 64 1.539 -10.442 0.299 1.00 0.00 N ATOM 1013 CA ASP A 64 2.632 -10.060 1.176 1.00 0.00 C ATOM 1014 C ASP A 64 3.732 -11.121 1.103 1.00 0.00 C ATOM 1015 O ASP A 64 4.913 -10.807 1.250 1.00 0.00 O ATOM 1016 CB ASP A 64 2.164 -9.961 2.629 1.00 0.00 C ATOM 1017 CG ASP A 64 2.819 -8.846 3.446 1.00 0.00 C ATOM 1018 OD1 ASP A 64 3.913 -8.407 3.032 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.210 -8.457 4.465 1.00 0.00 O ATOM 0 H ASP A 64 0.685 -10.723 0.780 1.00 0.00 H new ATOM 0 HA ASP A 64 3.002 -9.088 0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.084 -9.811 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.357 -10.914 3.123 1.00 0.00 H new ATOM 1024 N ARG A 65 3.306 -12.355 0.879 1.00 0.00 N ATOM 1025 CA ARG A 65 4.240 -13.464 0.786 1.00 0.00 C ATOM 1026 C ARG A 65 5.109 -13.322 -0.465 1.00 0.00 C ATOM 1027 O ARG A 65 6.321 -13.527 -0.409 1.00 0.00 O ATOM 1028 CB ARG A 65 3.502 -14.803 0.737 1.00 0.00 C ATOM 1029 CG ARG A 65 4.385 -15.894 0.128 1.00 0.00 C ATOM 1030 CD ARG A 65 4.083 -17.257 0.754 1.00 0.00 C ATOM 1031 NE ARG A 65 5.259 -17.738 1.511 1.00 0.00 N ATOM 1032 CZ ARG A 65 6.312 -18.353 0.954 1.00 0.00 C ATOM 1033 NH1 ARG A 65 6.342 -18.565 -0.368 1.00 0.00 N ATOM 1034 NH2 ARG A 65 7.335 -18.755 1.720 1.00 0.00 N ATOM 0 H ARG A 65 2.326 -12.612 0.759 1.00 0.00 H new ATOM 0 HA ARG A 65 4.870 -13.442 1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.201 -15.093 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.590 -14.698 0.149 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.222 -15.940 -0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.435 -15.644 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.221 -17.179 1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.823 -17.974 -0.024 1.00 0.00 H new ATOM 0 HE ARG A 65 5.270 -17.593 2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.564 -18.258 -0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.143 -19.033 -0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.313 -18.593 2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.136 -19.223 1.296 1.00 0.00 H new ATOM 1048 N LYS A 66 4.457 -12.972 -1.563 1.00 0.00 N ATOM 1049 CA LYS A 66 5.156 -12.801 -2.826 1.00 0.00 C ATOM 1050 C LYS A 66 5.903 -11.466 -2.813 1.00 0.00 C ATOM 1051 O LYS A 66 6.929 -11.319 -3.475 1.00 0.00 O ATOM 1052 CB LYS A 66 4.185 -12.952 -4.000 1.00 0.00 C ATOM 1053 CG LYS A 66 3.301 -11.712 -4.144 1.00 0.00 C ATOM 1054 CD LYS A 66 3.033 -11.397 -5.617 1.00 0.00 C ATOM 1055 CE LYS A 66 4.307 -10.915 -6.315 1.00 0.00 C ATOM 1056 NZ LYS A 66 4.831 -9.698 -5.655 1.00 0.00 N ATOM 0 H LYS A 66 3.452 -12.802 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 66 5.903 -13.584 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.745 -13.113 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.561 -13.833 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.356 -11.873 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.785 -10.859 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.653 -12.286 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.260 -10.632 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.061 -11.702 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.097 -10.705 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.426 -9.169 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.037 -9.100 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.399 -9.969 -4.827 1.00 0.00 H new ATOM 1070 N SER A 67 5.358 -10.527 -2.053 1.00 0.00 N ATOM 1071 CA SER A 67 5.960 -9.208 -1.947 1.00 0.00 C ATOM 1072 C SER A 67 6.388 -8.945 -0.501 1.00 0.00 C ATOM 1073 O SER A 67 6.172 -7.855 0.025 1.00 0.00 O ATOM 1074 CB SER A 67 4.993 -8.121 -2.419 1.00 0.00 C ATOM 1075 OG SER A 67 5.505 -6.813 -2.184 1.00 0.00 O ATOM 0 H SER A 67 4.507 -10.653 -1.505 1.00 0.00 H new ATOM 0 HA SER A 67 6.838 -9.180 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.797 -8.248 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.039 -8.235 -1.903 1.00 0.00 H new ATOM 0 HG SER A 67 5.739 -6.719 -1.237 1.00 0.00 H new ATOM 1316 N GLN A 83 30.706 -20.666 -1.850 1.00 0.00 N ATOM 1317 CA GLN A 83 31.841 -21.569 -1.924 1.00 0.00 C ATOM 1318 C GLN A 83 31.904 -22.231 -3.301 1.00 0.00 C ATOM 1319 O GLN A 83 30.894 -22.318 -3.998 1.00 0.00 O ATOM 1320 CB GLN A 83 31.781 -22.619 -0.813 1.00 0.00 C ATOM 1321 CG GLN A 83 33.186 -23.031 -0.370 1.00 0.00 C ATOM 1322 CD GLN A 83 33.359 -22.856 1.139 1.00 0.00 C ATOM 1323 OE1 GLN A 83 33.490 -23.810 1.890 1.00 0.00 O ATOM 1324 NE2 GLN A 83 33.353 -21.589 1.542 1.00 0.00 N ATOM 0 HA GLN A 83 32.752 -20.988 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 83 31.230 -22.221 0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 83 31.236 -23.495 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 83 33.366 -24.071 -0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 83 33.928 -22.431 -0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 83 33.239 -20.838 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 83 33.462 -21.368 2.532 1.00 0.00 H new ATOM 1333 N SER A 84 33.100 -22.680 -3.654 1.00 0.00 N ATOM 1334 CA SER A 84 33.307 -23.331 -4.936 1.00 0.00 C ATOM 1335 C SER A 84 34.768 -23.771 -5.069 1.00 0.00 C ATOM 1336 O SER A 84 35.640 -23.261 -4.367 1.00 0.00 O ATOM 1337 CB SER A 84 32.924 -22.405 -6.092 1.00 0.00 C ATOM 1338 OG SER A 84 31.556 -22.551 -6.462 1.00 0.00 O ATOM 0 H SER A 84 33.936 -22.605 -3.074 1.00 0.00 H new ATOM 0 HA SER A 84 32.664 -24.210 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 84 33.114 -21.370 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 84 33.557 -22.619 -6.953 1.00 0.00 H new ATOM 0 HG SER A 84 30.995 -22.519 -5.659 1.00 0.00 H new ATOM 1344 N THR A 85 34.987 -24.713 -5.974 1.00 0.00 N ATOM 1345 CA THR A 85 36.326 -25.227 -6.208 1.00 0.00 C ATOM 1346 C THR A 85 36.738 -25.000 -7.664 1.00 0.00 C ATOM 1347 O THR A 85 35.907 -24.643 -8.499 1.00 0.00 O ATOM 1348 CB THR A 85 36.346 -26.700 -5.793 1.00 0.00 C ATOM 1349 OG1 THR A 85 36.054 -26.672 -4.399 1.00 0.00 O ATOM 1350 CG2 THR A 85 37.747 -27.311 -5.870 1.00 0.00 C ATOM 0 H THR A 85 34.261 -25.134 -6.554 1.00 0.00 H new ATOM 0 HA THR A 85 37.064 -24.695 -5.608 1.00 0.00 H new ATOM 0 HB THR A 85 35.668 -27.266 -6.432 1.00 0.00 H new ATOM 0 HG1 THR A 85 36.045 -27.587 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 85 37.705 -28.357 -5.565 1.00 0.00 H new ATOM 0 HG22 THR A 85 38.117 -27.246 -6.893 1.00 0.00 H new ATOM 0 HG23 THR A 85 38.418 -26.766 -5.206 1.00 0.00 H new ATOM 1358 N ASN A 86 38.018 -25.216 -7.924 1.00 0.00 N ATOM 1359 CA ASN A 86 38.550 -25.039 -9.265 1.00 0.00 C ATOM 1360 C ASN A 86 38.548 -26.386 -9.991 1.00 0.00 C ATOM 1361 O ASN A 86 38.365 -27.431 -9.368 1.00 0.00 O ATOM 1362 CB ASN A 86 39.991 -24.527 -9.223 1.00 0.00 C ATOM 1363 CG ASN A 86 40.824 -25.313 -8.209 1.00 0.00 C ATOM 1364 OD1 ASN A 86 40.745 -24.846 -6.965 1.00 0.00 O flip ATOM 1365 ND2 ASN A 86 41.493 -26.280 -8.533 1.00 0.00 N flip ATOM 0 H ASN A 86 38.703 -25.512 -7.229 1.00 0.00 H new ATOM 0 HA ASN A 86 37.924 -24.312 -9.783 1.00 0.00 H new ATOM 0 HB2 ASN A 86 40.440 -24.613 -10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 86 39.997 -23.469 -8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 86 41.509 -26.586 -9.506 1.00 0.00 H new ATOM 0 HD22 ASN A 86 42.036 -26.783 -7.831 1.00 0.00 H new ATOM 1372 N THR A 87 38.755 -26.318 -11.298 1.00 0.00 N ATOM 1373 CA THR A 87 38.780 -27.519 -12.115 1.00 0.00 C ATOM 1374 C THR A 87 40.221 -27.982 -12.339 1.00 0.00 C ATOM 1375 O THR A 87 41.157 -27.387 -11.809 1.00 0.00 O ATOM 1376 CB THR A 87 38.028 -27.222 -13.415 1.00 0.00 C ATOM 1377 OG1 THR A 87 38.864 -26.287 -14.093 1.00 0.00 O ATOM 1378 CG2 THR A 87 36.727 -26.454 -13.175 1.00 0.00 C ATOM 0 H THR A 87 38.907 -25.450 -11.811 1.00 0.00 H new ATOM 0 HA THR A 87 38.280 -28.348 -11.615 1.00 0.00 H new ATOM 0 HB THR A 87 37.808 -28.157 -13.930 1.00 0.00 H new ATOM 0 HG1 THR A 87 38.453 -26.041 -14.948 1.00 0.00 H new ATOM 0 HG21 THR A 87 36.233 -26.269 -14.129 1.00 0.00 H new ATOM 0 HG22 THR A 87 36.070 -27.042 -12.534 1.00 0.00 H new ATOM 0 HG23 THR A 87 36.950 -25.503 -12.691 1.00 0.00 H new ATOM 1386 N ALA A 88 40.353 -29.040 -13.126 1.00 0.00 N ATOM 1387 CA ALA A 88 41.663 -29.590 -13.427 1.00 0.00 C ATOM 1388 C ALA A 88 41.503 -30.809 -14.338 1.00 0.00 C ATOM 1389 O ALA A 88 41.059 -31.866 -13.893 1.00 0.00 O ATOM 1390 CB ALA A 88 42.387 -29.928 -12.123 1.00 0.00 C ATOM 0 H ALA A 88 39.574 -29.531 -13.564 1.00 0.00 H new ATOM 0 HA ALA A 88 42.273 -28.859 -13.958 1.00 0.00 H new ATOM 0 HB1 ALA A 88 43.370 -30.341 -12.349 1.00 0.00 H new ATOM 0 HB2 ALA A 88 42.502 -29.024 -11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 88 41.806 -30.661 -11.564 1.00 0.00 H new ATOM 1396 N VAL A 89 41.876 -30.621 -15.595 1.00 0.00 N ATOM 1397 CA VAL A 89 41.779 -31.692 -16.573 1.00 0.00 C ATOM 1398 C VAL A 89 42.882 -31.523 -17.619 1.00 0.00 C ATOM 1399 O VAL A 89 42.991 -30.471 -18.247 1.00 0.00 O ATOM 1400 CB VAL A 89 40.376 -31.718 -17.183 1.00 0.00 C ATOM 1401 CG1 VAL A 89 40.119 -30.465 -18.021 1.00 0.00 C ATOM 1402 CG2 VAL A 89 40.163 -32.986 -18.013 1.00 0.00 C ATOM 0 H VAL A 89 42.246 -29.743 -15.959 1.00 0.00 H new ATOM 0 HA VAL A 89 41.929 -32.660 -16.095 1.00 0.00 H new ATOM 0 HB VAL A 89 39.655 -31.727 -16.365 1.00 0.00 H new ATOM 0 HG11 VAL A 89 39.115 -30.509 -18.443 1.00 0.00 H new ATOM 0 HG12 VAL A 89 40.209 -29.581 -17.390 1.00 0.00 H new ATOM 0 HG13 VAL A 89 40.850 -30.411 -18.828 1.00 0.00 H new ATOM 0 HG21 VAL A 89 39.158 -32.980 -18.435 1.00 0.00 H new ATOM 0 HG22 VAL A 89 40.895 -33.020 -18.819 1.00 0.00 H new ATOM 0 HG23 VAL A 89 40.283 -33.862 -17.376 1.00 0.00 H new ATOM 1412 N THR A 90 43.673 -32.575 -17.773 1.00 0.00 N ATOM 1413 CA THR A 90 44.765 -32.556 -18.732 1.00 0.00 C ATOM 1414 C THR A 90 44.637 -33.727 -19.708 1.00 0.00 C ATOM 1415 O THR A 90 44.062 -34.761 -19.371 1.00 0.00 O ATOM 1416 CB THR A 90 46.080 -32.557 -17.952 1.00 0.00 C ATOM 1417 OG1 THR A 90 46.115 -31.275 -17.329 1.00 0.00 O ATOM 1418 CG2 THR A 90 47.305 -32.559 -18.868 1.00 0.00 C ATOM 0 H THR A 90 43.580 -33.446 -17.250 1.00 0.00 H new ATOM 0 HA THR A 90 44.736 -31.656 -19.346 1.00 0.00 H new ATOM 0 HB THR A 90 46.114 -33.429 -17.299 1.00 0.00 H new ATOM 0 HG1 THR A 90 46.936 -31.191 -16.800 1.00 0.00 H new ATOM 0 HG21 THR A 90 48.212 -32.560 -18.263 1.00 0.00 H new ATOM 0 HG22 THR A 90 47.288 -33.449 -19.497 1.00 0.00 H new ATOM 0 HG23 THR A 90 47.290 -31.670 -19.498 1.00 0.00 H new ATOM 1426 N LEU A 91 45.182 -33.525 -20.899 1.00 0.00 N ATOM 1427 CA LEU A 91 45.136 -34.552 -21.927 1.00 0.00 C ATOM 1428 C LEU A 91 46.546 -35.096 -22.162 1.00 0.00 C ATOM 1429 O LEU A 91 47.503 -34.329 -22.261 1.00 0.00 O ATOM 1430 CB LEU A 91 44.465 -34.014 -23.192 1.00 0.00 C ATOM 1431 CG LEU A 91 44.990 -34.569 -24.517 1.00 0.00 C ATOM 1432 CD1 LEU A 91 44.691 -36.065 -24.642 1.00 0.00 C ATOM 1433 CD2 LEU A 91 44.439 -33.774 -25.703 1.00 0.00 C ATOM 0 H LEU A 91 45.658 -32.666 -21.175 1.00 0.00 H new ATOM 0 HA LEU A 91 44.521 -35.391 -21.600 1.00 0.00 H new ATOM 0 HB2 LEU A 91 43.397 -34.224 -23.130 1.00 0.00 H new ATOM 0 HB3 LEU A 91 44.576 -32.930 -23.205 1.00 0.00 H new ATOM 0 HG LEU A 91 46.074 -34.454 -24.529 1.00 0.00 H new ATOM 0 HD11 LEU A 91 45.075 -36.435 -25.593 1.00 0.00 H new ATOM 0 HD12 LEU A 91 45.171 -36.602 -23.824 1.00 0.00 H new ATOM 0 HD13 LEU A 91 43.614 -36.226 -24.598 1.00 0.00 H new ATOM 0 HD21 LEU A 91 44.828 -34.190 -26.632 1.00 0.00 H new ATOM 0 HD22 LEU A 91 43.351 -33.833 -25.707 1.00 0.00 H new ATOM 0 HD23 LEU A 91 44.745 -32.731 -25.616 1.00 0.00 H new ATOM 1445 N THR A 92 46.631 -36.416 -22.245 1.00 0.00 N ATOM 1446 CA THR A 92 47.909 -37.071 -22.466 1.00 0.00 C ATOM 1447 C THR A 92 48.448 -36.730 -23.857 1.00 0.00 C ATOM 1448 O THR A 92 47.679 -36.552 -24.799 1.00 0.00 O ATOM 1449 CB THR A 92 47.716 -38.571 -22.240 1.00 0.00 C ATOM 1450 OG1 THR A 92 48.963 -39.144 -22.626 1.00 0.00 O ATOM 1451 CG2 THR A 92 46.707 -39.186 -23.212 1.00 0.00 C ATOM 0 H THR A 92 45.836 -37.049 -22.163 1.00 0.00 H new ATOM 0 HA THR A 92 48.663 -36.716 -21.763 1.00 0.00 H new ATOM 0 HB THR A 92 47.384 -38.743 -21.216 1.00 0.00 H new ATOM 0 HG1 THR A 92 48.926 -40.116 -22.509 1.00 0.00 H new ATOM 0 HG21 THR A 92 46.608 -40.252 -23.008 1.00 0.00 H new ATOM 0 HG22 THR A 92 45.739 -38.701 -23.087 1.00 0.00 H new ATOM 0 HG23 THR A 92 47.054 -39.044 -24.235 1.00 0.00 H new