USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 Set 1.1: A 20 GLN : amide:sc= 0.475 K(o=0.6,f=-2.6!) USER MOD Set 1.2: A 77 GLN : amide:sc= 0.124 K(o=0.6,f=-2.6) USER MOD Set 2.1: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 18 THR OG1 : rot 60:sc= -2.85! USER MOD Single : A 23 MET CE :methyl -145:sc= -0.0787 (180deg=-1.77) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0.617 (180deg=0.584) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0427) USER MOD Single : A 39 THR OG1 : rot -160:sc= -1.66! USER MOD Single : A 41 LYS NZ :NH3+ 139:sc= 1.26 (180deg=1.15) USER MOD Single : A 42 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 44 GLN : amide:sc= 0.64 K(o=0.64,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= -0.0104 (180deg=-0.165) USER MOD Single : A 51 MET CE :methyl -111:sc= -2.17! (180deg=-2.86!) USER MOD Single : A 55 GLN : amide:sc= -0.0258 K(o=-0.026,f=-0.88) USER MOD Single : A 65 LYS NZ :NH3+ -109:sc= 0.306 (180deg=-2.33!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc=-0.00435 USER MOD Single : A 82 MET CE :methyl -129:sc= -2.47 (180deg=-5.88!) USER MOD Single : A 84 MET CE :methyl 157:sc= -0.0787 (180deg=-1.31) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 18 -3.318 -8.740 -2.972 1.00 0.00 N ATOM 166 CA THR A 18 -4.357 -7.731 -3.047 1.00 0.00 C ATOM 167 C THR A 18 -3.743 -6.344 -3.194 1.00 0.00 C ATOM 168 O THR A 18 -2.832 -5.972 -2.455 1.00 0.00 O ATOM 169 CB THR A 18 -5.265 -7.789 -1.803 1.00 0.00 C ATOM 170 OG1 THR A 18 -5.920 -9.062 -1.760 1.00 0.00 O ATOM 171 CG2 THR A 18 -6.310 -6.682 -1.809 1.00 0.00 C ATOM 0 HA THR A 18 -4.968 -7.935 -3.926 1.00 0.00 H new ATOM 0 HB THR A 18 -4.639 -7.649 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.248 -9.774 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.928 -6.760 -0.915 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.813 -5.712 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.939 -6.780 -2.694 1.00 0.00 H new ATOM 179 N VAL A 19 -4.226 -5.599 -4.173 1.00 0.00 N ATOM 180 CA VAL A 19 -3.731 -4.258 -4.430 1.00 0.00 C ATOM 181 C VAL A 19 -4.884 -3.268 -4.548 1.00 0.00 C ATOM 182 O VAL A 19 -5.851 -3.506 -5.276 1.00 0.00 O ATOM 183 CB VAL A 19 -2.852 -4.215 -5.705 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.564 -4.853 -6.891 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.441 -2.787 -6.039 1.00 0.00 C ATOM 0 H VAL A 19 -4.965 -5.903 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.110 -3.970 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.951 -4.793 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.921 -4.807 -7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.791 -5.894 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.491 -4.315 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.825 -2.787 -6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.332 -2.182 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.872 -2.369 -5.209 1.00 0.00 H new ATOM 195 N GLN A 20 -4.793 -2.179 -3.805 1.00 0.00 N ATOM 196 CA GLN A 20 -5.806 -1.139 -3.861 1.00 0.00 C ATOM 197 C GLN A 20 -5.315 0.077 -4.629 1.00 0.00 C ATOM 198 O GLN A 20 -4.313 0.694 -4.261 1.00 0.00 O ATOM 199 CB GLN A 20 -6.264 -0.740 -2.462 1.00 0.00 C ATOM 200 CG GLN A 20 -7.320 -1.677 -1.899 1.00 0.00 C ATOM 201 CD GLN A 20 -7.846 -1.228 -0.553 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.126 -0.636 0.242 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.116 -1.491 -0.302 1.00 0.00 N ATOM 0 H GLN A 20 -4.029 -1.992 -3.156 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.662 -1.550 -4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.403 -0.726 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.662 0.274 -2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.149 -1.747 -2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.898 -2.677 -1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.680 -1.987 -0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.532 -1.198 0.582 1.00 0.00 H new ATOM 212 N GLU A 21 -6.017 0.395 -5.710 1.00 0.00 N ATOM 213 CA GLU A 21 -5.732 1.593 -6.484 1.00 0.00 C ATOM 214 C GLU A 21 -6.586 2.750 -5.999 1.00 0.00 C ATOM 215 O GLU A 21 -7.803 2.772 -6.194 1.00 0.00 O ATOM 216 CB GLU A 21 -5.940 1.357 -7.985 1.00 0.00 C ATOM 217 CG GLU A 21 -4.730 0.729 -8.655 1.00 0.00 C ATOM 218 CD GLU A 21 -4.921 0.459 -10.136 1.00 0.00 C ATOM 219 OE1 GLU A 21 -5.686 -0.463 -10.483 1.00 0.00 O ATOM 220 OE2 GLU A 21 -4.279 1.153 -10.957 1.00 0.00 O ATOM 0 H GLU A 21 -6.791 -0.164 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.682 1.846 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.806 0.711 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.166 2.307 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.871 1.387 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.494 -0.209 -8.152 1.00 0.00 H new ATOM 227 N ILE A 22 -5.942 3.697 -5.343 1.00 0.00 N ATOM 228 CA ILE A 22 -6.628 4.860 -4.812 1.00 0.00 C ATOM 229 C ILE A 22 -6.279 6.080 -5.651 1.00 0.00 C ATOM 230 O ILE A 22 -5.153 6.208 -6.116 1.00 0.00 O ATOM 231 CB ILE A 22 -6.247 5.118 -3.332 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.366 3.821 -2.515 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.148 6.191 -2.732 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.782 3.293 -2.383 1.00 0.00 C ATOM 0 H ILE A 22 -4.938 3.683 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.701 4.671 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.214 5.464 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.747 3.054 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.961 3.995 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.868 6.361 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.035 7.118 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.186 5.863 -2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.775 2.377 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.404 4.039 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.186 3.083 -3.373 1.00 0.00 H new ATOM 246 N MET A 23 -7.244 6.960 -5.858 1.00 0.00 N ATOM 247 CA MET A 23 -7.018 8.166 -6.625 1.00 0.00 C ATOM 248 C MET A 23 -6.898 9.336 -5.678 1.00 0.00 C ATOM 249 O MET A 23 -7.901 9.933 -5.279 1.00 0.00 O ATOM 250 CB MET A 23 -8.161 8.403 -7.605 1.00 0.00 C ATOM 251 CG MET A 23 -8.369 7.261 -8.581 1.00 0.00 C ATOM 252 SD MET A 23 -6.901 6.907 -9.571 1.00 0.00 S ATOM 253 CE MET A 23 -6.651 8.480 -10.390 1.00 0.00 C ATOM 0 H MET A 23 -8.195 6.858 -5.502 1.00 0.00 H new ATOM 0 HA MET A 23 -6.097 8.058 -7.198 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.082 8.563 -7.044 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.965 9.318 -8.165 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.654 6.365 -8.029 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.199 7.503 -9.245 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.269 8.309 -11.397 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.599 9.015 -10.447 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.933 9.074 -9.825 1.00 0.00 H new ATOM 263 N ILE A 24 -5.675 9.638 -5.295 1.00 0.00 N ATOM 264 CA ILE A 24 -5.431 10.662 -4.301 1.00 0.00 C ATOM 265 C ILE A 24 -5.564 12.045 -4.919 1.00 0.00 C ATOM 266 O ILE A 24 -4.963 12.317 -5.956 1.00 0.00 O ATOM 267 CB ILE A 24 -4.025 10.522 -3.677 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.759 9.071 -3.270 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.883 11.444 -2.475 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.782 8.519 -2.306 1.00 0.00 C ATOM 0 H ILE A 24 -4.834 9.189 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.176 10.535 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.287 10.811 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.741 8.448 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.770 9.005 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.887 11.333 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.030 12.477 -2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.631 11.183 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.531 7.487 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.784 9.118 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.770 8.553 -2.765 1.00 0.00 H new ATOM 282 N PRO A 25 -6.375 12.922 -4.303 1.00 0.00 N ATOM 283 CA PRO A 25 -6.518 14.308 -4.745 1.00 0.00 C ATOM 284 C PRO A 25 -5.162 14.962 -4.975 1.00 0.00 C ATOM 285 O PRO A 25 -4.267 14.842 -4.135 1.00 0.00 O ATOM 286 CB PRO A 25 -7.252 14.972 -3.581 1.00 0.00 C ATOM 287 CG PRO A 25 -8.051 13.873 -2.974 1.00 0.00 C ATOM 288 CD PRO A 25 -7.227 12.625 -3.138 1.00 0.00 C ATOM 0 HA PRO A 25 -7.046 14.395 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.553 15.399 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.891 15.785 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.253 14.072 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.016 13.772 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.632 12.418 -2.249 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.854 11.751 -3.313 1.00 0.00 H new ATOM 296 N ALA A 26 -5.030 15.639 -6.110 1.00 0.00 N ATOM 297 CA ALA A 26 -3.748 16.175 -6.574 1.00 0.00 C ATOM 298 C ALA A 26 -2.958 16.866 -5.464 1.00 0.00 C ATOM 299 O ALA A 26 -1.819 16.486 -5.179 1.00 0.00 O ATOM 300 CB ALA A 26 -3.978 17.137 -7.726 1.00 0.00 C ATOM 0 H ALA A 26 -5.809 15.834 -6.739 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.149 15.328 -6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.021 17.532 -8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.466 16.612 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.612 17.959 -7.393 1.00 0.00 H new ATOM 306 N GLY A 27 -3.574 17.853 -4.826 1.00 0.00 N ATOM 307 CA GLY A 27 -2.880 18.639 -3.824 1.00 0.00 C ATOM 308 C GLY A 27 -2.787 17.940 -2.482 1.00 0.00 C ATOM 309 O GLY A 27 -2.016 18.352 -1.617 1.00 0.00 O ATOM 0 H GLY A 27 -4.544 18.124 -4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.875 18.865 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.395 19.591 -3.696 1.00 0.00 H new ATOM 313 N LYS A 28 -3.546 16.866 -2.319 1.00 0.00 N ATOM 314 CA LYS A 28 -3.616 16.155 -1.046 1.00 0.00 C ATOM 315 C LYS A 28 -2.519 15.090 -0.965 1.00 0.00 C ATOM 316 O LYS A 28 -2.484 14.275 -0.041 1.00 0.00 O ATOM 317 CB LYS A 28 -4.999 15.515 -0.892 1.00 0.00 C ATOM 318 CG LYS A 28 -5.356 15.138 0.535 1.00 0.00 C ATOM 319 CD LYS A 28 -6.714 14.476 0.607 1.00 0.00 C ATOM 320 CE LYS A 28 -7.851 15.455 0.359 1.00 0.00 C ATOM 321 NZ LYS A 28 -8.023 16.410 1.487 1.00 0.00 N ATOM 0 H LYS A 28 -4.126 16.464 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.459 16.864 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.751 16.206 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.044 14.621 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.599 14.464 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.351 16.030 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.763 13.673 -0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.840 14.018 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.657 16.010 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.778 14.902 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.860 17.003 1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.149 15.881 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.180 17.014 1.562 1.00 0.00 H new ATOM 335 N ALA A 29 -1.612 15.117 -1.934 1.00 0.00 N ATOM 336 CA ALA A 29 -0.500 14.174 -1.977 1.00 0.00 C ATOM 337 C ALA A 29 0.453 14.397 -0.808 1.00 0.00 C ATOM 338 O ALA A 29 1.203 13.500 -0.424 1.00 0.00 O ATOM 339 CB ALA A 29 0.243 14.301 -3.295 1.00 0.00 C ATOM 0 H ALA A 29 -1.625 15.785 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.905 13.165 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.071 13.592 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.438 14.087 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.630 15.315 -3.398 1.00 0.00 H new ATOM 345 N GLY A 30 0.395 15.592 -0.234 1.00 0.00 N ATOM 346 CA GLY A 30 1.241 15.930 0.893 1.00 0.00 C ATOM 347 C GLY A 30 0.949 15.080 2.116 1.00 0.00 C ATOM 348 O GLY A 30 1.736 15.046 3.060 1.00 0.00 O ATOM 0 H GLY A 30 -0.230 16.340 -0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.286 15.805 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.103 16.982 1.144 1.00 0.00 H new ATOM 352 N LEU A 31 -0.200 14.415 2.114 1.00 0.00 N ATOM 353 CA LEU A 31 -0.592 13.579 3.238 1.00 0.00 C ATOM 354 C LEU A 31 -0.204 12.116 3.018 1.00 0.00 C ATOM 355 O LEU A 31 0.287 11.463 3.935 1.00 0.00 O ATOM 356 CB LEU A 31 -2.092 13.708 3.487 1.00 0.00 C ATOM 357 CG LEU A 31 -2.553 15.114 3.872 1.00 0.00 C ATOM 358 CD1 LEU A 31 -4.039 15.126 4.183 1.00 0.00 C ATOM 359 CD2 LEU A 31 -1.750 15.628 5.063 1.00 0.00 C ATOM 0 H LEU A 31 -0.874 14.439 1.348 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.054 13.927 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.625 13.398 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.377 13.016 4.280 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.379 15.778 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.346 16.136 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.597 14.801 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.242 14.450 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.089 16.630 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.894 14.962 5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.692 15.660 4.802 1.00 0.00 H new ATOM 371 N VAL A 32 -0.415 11.608 1.804 1.00 0.00 N ATOM 372 CA VAL A 32 -0.049 10.227 1.488 1.00 0.00 C ATOM 373 C VAL A 32 1.465 10.058 1.446 1.00 0.00 C ATOM 374 O VAL A 32 2.002 9.040 1.881 1.00 0.00 O ATOM 375 CB VAL A 32 -0.638 9.743 0.143 1.00 0.00 C ATOM 376 CG1 VAL A 32 -2.104 9.384 0.287 1.00 0.00 C ATOM 377 CG2 VAL A 32 -0.459 10.792 -0.937 1.00 0.00 C ATOM 0 H VAL A 32 -0.833 12.125 1.030 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.473 9.618 2.286 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.092 8.847 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.492 9.047 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.213 8.587 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.662 10.260 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.882 10.427 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.969 11.709 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.603 10.996 -1.074 1.00 0.00 H new ATOM 387 N ILE A 33 2.144 11.063 0.919 1.00 0.00 N ATOM 388 CA ILE A 33 3.593 11.034 0.826 1.00 0.00 C ATOM 389 C ILE A 33 4.194 11.556 2.122 1.00 0.00 C ATOM 390 O ILE A 33 5.250 11.103 2.577 1.00 0.00 O ATOM 391 CB ILE A 33 4.086 11.879 -0.366 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.387 11.419 -1.646 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.598 11.774 -0.516 1.00 0.00 C ATOM 394 CD1 ILE A 33 3.572 12.362 -2.811 1.00 0.00 C ATOM 0 H ILE A 33 1.714 11.910 0.549 1.00 0.00 H new ATOM 0 HA ILE A 33 3.913 10.005 0.664 1.00 0.00 H new ATOM 0 HB ILE A 33 3.840 12.925 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.766 10.435 -1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.321 11.306 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.922 12.378 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.080 12.135 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.875 10.734 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.048 11.970 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.167 13.341 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.634 12.456 -3.038 1.00 0.00 H new ATOM 406 N GLY A 34 3.484 12.492 2.728 1.00 0.00 N ATOM 407 CA GLY A 34 3.911 13.058 3.983 1.00 0.00 C ATOM 408 C GLY A 34 4.738 14.302 3.791 1.00 0.00 C ATOM 409 O GLY A 34 5.124 14.630 2.667 1.00 0.00 O ATOM 0 H GLY A 34 2.609 12.872 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.037 13.294 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.492 12.319 4.535 1.00 0.00 H new ATOM 413 N LYS A 35 5.028 14.987 4.885 1.00 0.00 N ATOM 414 CA LYS A 35 5.812 16.210 4.834 1.00 0.00 C ATOM 415 C LYS A 35 7.298 15.898 4.645 1.00 0.00 C ATOM 416 O LYS A 35 8.115 16.129 5.537 1.00 0.00 O ATOM 417 CB LYS A 35 5.592 17.038 6.102 1.00 0.00 C ATOM 418 CG LYS A 35 4.459 18.054 6.001 1.00 0.00 C ATOM 419 CD LYS A 35 3.086 17.412 5.877 1.00 0.00 C ATOM 420 CE LYS A 35 1.991 18.468 5.939 1.00 0.00 C ATOM 421 NZ LYS A 35 0.628 17.882 5.869 1.00 0.00 N ATOM 0 H LYS A 35 4.731 14.716 5.822 1.00 0.00 H new ATOM 0 HA LYS A 35 5.478 16.794 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.385 16.362 6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.516 17.564 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.475 18.695 6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.632 18.696 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.018 16.865 4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.944 16.687 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.091 19.036 6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.123 19.171 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.078 18.623 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.472 17.479 4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.535 17.133 6.584 1.00 0.00 H new ATOM 435 N GLY A 36 7.638 15.337 3.488 1.00 0.00 N ATOM 436 CA GLY A 36 9.031 15.087 3.159 1.00 0.00 C ATOM 437 C GLY A 36 9.258 13.692 2.622 1.00 0.00 C ATOM 438 O GLY A 36 10.396 13.281 2.395 1.00 0.00 O ATOM 0 H GLY A 36 6.972 15.050 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.363 15.816 2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.643 15.234 4.049 1.00 0.00 H new ATOM 442 N GLY A 37 8.176 12.953 2.427 1.00 0.00 N ATOM 443 CA GLY A 37 8.291 11.596 1.933 1.00 0.00 C ATOM 444 C GLY A 37 8.510 10.600 3.054 1.00 0.00 C ATOM 445 O GLY A 37 8.453 9.391 2.842 1.00 0.00 O ATOM 0 H GLY A 37 7.222 13.268 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.387 11.332 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.120 11.536 1.228 1.00 0.00 H new ATOM 449 N GLU A 38 8.751 11.111 4.254 1.00 0.00 N ATOM 450 CA GLU A 38 8.988 10.264 5.413 1.00 0.00 C ATOM 451 C GLU A 38 7.755 9.440 5.754 1.00 0.00 C ATOM 452 O GLU A 38 7.866 8.314 6.231 1.00 0.00 O ATOM 453 CB GLU A 38 9.394 11.108 6.617 1.00 0.00 C ATOM 454 CG GLU A 38 10.773 11.727 6.488 1.00 0.00 C ATOM 455 CD GLU A 38 11.863 10.681 6.370 1.00 0.00 C ATOM 456 OE1 GLU A 38 12.120 9.971 7.369 1.00 0.00 O ATOM 457 OE2 GLU A 38 12.471 10.570 5.289 1.00 0.00 O ATOM 0 H GLU A 38 8.787 12.111 4.449 1.00 0.00 H new ATOM 0 HA GLU A 38 9.800 9.581 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.660 11.902 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.366 10.486 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.798 12.375 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.969 12.357 7.356 1.00 0.00 H new ATOM 464 N THR A 39 6.582 10.008 5.520 1.00 0.00 N ATOM 465 CA THR A 39 5.340 9.319 5.809 1.00 0.00 C ATOM 466 C THR A 39 5.183 8.082 4.931 1.00 0.00 C ATOM 467 O THR A 39 5.070 6.971 5.447 1.00 0.00 O ATOM 468 CB THR A 39 4.134 10.251 5.622 1.00 0.00 C ATOM 469 OG1 THR A 39 4.335 11.442 6.391 1.00 0.00 O ATOM 470 CG2 THR A 39 2.843 9.576 6.057 1.00 0.00 C ATOM 0 H THR A 39 6.467 10.944 5.131 1.00 0.00 H new ATOM 0 HA THR A 39 5.377 9.004 6.852 1.00 0.00 H new ATOM 0 HB THR A 39 4.048 10.496 4.563 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.474 11.886 6.538 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.008 10.261 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.683 8.678 5.460 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.911 9.304 7.110 1.00 0.00 H new ATOM 478 N ILE A 40 5.219 8.268 3.608 1.00 0.00 N ATOM 479 CA ILE A 40 5.064 7.146 2.676 1.00 0.00 C ATOM 480 C ILE A 40 6.167 6.106 2.898 1.00 0.00 C ATOM 481 O ILE A 40 5.960 4.905 2.719 1.00 0.00 O ATOM 482 CB ILE A 40 5.052 7.622 1.199 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.794 6.448 0.244 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.349 8.334 0.841 1.00 0.00 C ATOM 485 CD1 ILE A 40 4.774 6.843 -1.220 1.00 0.00 C ATOM 0 H ILE A 40 5.353 9.175 3.161 1.00 0.00 H new ATOM 0 HA ILE A 40 4.099 6.682 2.878 1.00 0.00 H new ATOM 0 HB ILE A 40 4.235 8.335 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.564 5.692 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.840 5.987 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.312 8.656 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.477 9.204 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.188 7.653 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.586 5.961 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.985 7.576 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.736 7.276 -1.493 1.00 0.00 H new ATOM 497 N LYS A 41 7.332 6.586 3.308 1.00 0.00 N ATOM 498 CA LYS A 41 8.443 5.727 3.693 1.00 0.00 C ATOM 499 C LYS A 41 8.054 4.829 4.872 1.00 0.00 C ATOM 500 O LYS A 41 8.210 3.608 4.816 1.00 0.00 O ATOM 501 CB LYS A 41 9.639 6.612 4.053 1.00 0.00 C ATOM 502 CG LYS A 41 10.636 5.986 5.009 1.00 0.00 C ATOM 503 CD LYS A 41 11.614 7.029 5.518 1.00 0.00 C ATOM 504 CE LYS A 41 12.439 6.509 6.680 1.00 0.00 C ATOM 505 NZ LYS A 41 13.321 7.564 7.236 1.00 0.00 N ATOM 0 H LYS A 41 7.534 7.583 3.383 1.00 0.00 H new ATOM 0 HA LYS A 41 8.707 5.073 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.160 6.883 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.267 7.537 4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.108 5.534 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.178 5.186 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.278 7.331 4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.067 7.919 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.776 6.139 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.044 5.665 6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.321 7.505 8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.289 7.429 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.972 8.499 6.943 1.00 0.00 H new ATOM 519 N GLN A 42 7.511 5.441 5.916 1.00 0.00 N ATOM 520 CA GLN A 42 7.165 4.726 7.137 1.00 0.00 C ATOM 521 C GLN A 42 6.028 3.756 6.886 1.00 0.00 C ATOM 522 O GLN A 42 6.026 2.648 7.414 1.00 0.00 O ATOM 523 CB GLN A 42 6.764 5.710 8.237 1.00 0.00 C ATOM 524 CG GLN A 42 7.913 6.564 8.734 1.00 0.00 C ATOM 525 CD GLN A 42 7.461 7.662 9.676 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.395 7.471 10.891 1.00 0.00 O ATOM 527 NE2 GLN A 42 7.147 8.821 9.119 1.00 0.00 N ATOM 0 H GLN A 42 7.299 6.439 5.941 1.00 0.00 H new ATOM 0 HA GLN A 42 8.043 4.166 7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.975 6.361 7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.346 5.154 9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.638 5.929 9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.424 7.010 7.881 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.216 8.936 8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.836 9.599 9.701 1.00 0.00 H new ATOM 536 N LEU A 43 5.070 4.179 6.071 1.00 0.00 N ATOM 537 CA LEU A 43 3.879 3.385 5.792 1.00 0.00 C ATOM 538 C LEU A 43 4.244 2.001 5.262 1.00 0.00 C ATOM 539 O LEU A 43 3.710 0.990 5.721 1.00 0.00 O ATOM 540 CB LEU A 43 2.991 4.102 4.781 1.00 0.00 C ATOM 541 CG LEU A 43 2.593 5.528 5.159 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.826 6.185 4.030 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.766 5.529 6.437 1.00 0.00 C ATOM 0 H LEU A 43 5.095 5.077 5.587 1.00 0.00 H new ATOM 0 HA LEU A 43 3.337 3.261 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.508 4.129 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.084 3.515 4.638 1.00 0.00 H new ATOM 0 HG LEU A 43 3.502 6.103 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.552 7.200 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.450 6.218 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.923 5.611 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.491 6.553 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.863 4.937 6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.351 5.098 7.249 1.00 0.00 H new ATOM 555 N GLN A 44 5.171 1.968 4.312 1.00 0.00 N ATOM 556 CA GLN A 44 5.615 0.715 3.712 1.00 0.00 C ATOM 557 C GLN A 44 6.237 -0.202 4.762 1.00 0.00 C ATOM 558 O GLN A 44 6.100 -1.425 4.700 1.00 0.00 O ATOM 559 CB GLN A 44 6.636 0.992 2.610 1.00 0.00 C ATOM 560 CG GLN A 44 6.090 1.818 1.459 1.00 0.00 C ATOM 561 CD GLN A 44 7.184 2.325 0.543 1.00 0.00 C ATOM 562 OE1 GLN A 44 7.574 1.655 -0.413 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.681 3.518 0.825 1.00 0.00 N ATOM 0 H GLN A 44 5.632 2.798 3.939 1.00 0.00 H new ATOM 0 HA GLN A 44 4.744 0.218 3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.491 1.511 3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.003 0.042 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.388 1.215 0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.531 2.665 1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.329 4.040 1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.416 3.916 0.240 1.00 0.00 H new ATOM 572 N GLU A 45 6.914 0.401 5.726 1.00 0.00 N ATOM 573 CA GLU A 45 7.602 -0.353 6.763 1.00 0.00 C ATOM 574 C GLU A 45 6.636 -0.805 7.859 1.00 0.00 C ATOM 575 O GLU A 45 6.655 -1.965 8.277 1.00 0.00 O ATOM 576 CB GLU A 45 8.719 0.497 7.365 1.00 0.00 C ATOM 577 CG GLU A 45 9.776 0.911 6.353 1.00 0.00 C ATOM 578 CD GLU A 45 10.893 1.720 6.977 1.00 0.00 C ATOM 579 OE1 GLU A 45 11.722 1.132 7.704 1.00 0.00 O ATOM 580 OE2 GLU A 45 10.952 2.944 6.754 1.00 0.00 O ATOM 0 H GLU A 45 7.002 1.413 5.812 1.00 0.00 H new ATOM 0 HA GLU A 45 8.030 -1.246 6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.284 1.391 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.197 -0.061 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.195 0.020 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.307 1.496 5.562 1.00 0.00 H new ATOM 587 N ARG A 46 5.783 0.106 8.305 1.00 0.00 N ATOM 588 CA ARG A 46 4.901 -0.163 9.439 1.00 0.00 C ATOM 589 C ARG A 46 3.740 -1.086 9.078 1.00 0.00 C ATOM 590 O ARG A 46 3.419 -2.004 9.832 1.00 0.00 O ATOM 591 CB ARG A 46 4.370 1.143 10.048 1.00 0.00 C ATOM 592 CG ARG A 46 3.659 2.062 9.069 1.00 0.00 C ATOM 593 CD ARG A 46 3.209 3.349 9.739 1.00 0.00 C ATOM 594 NE ARG A 46 4.283 3.988 10.500 1.00 0.00 N ATOM 595 CZ ARG A 46 4.082 4.982 11.365 1.00 0.00 C ATOM 596 NH1 ARG A 46 2.854 5.452 11.562 1.00 0.00 N ATOM 597 NH2 ARG A 46 5.103 5.504 12.030 1.00 0.00 N ATOM 0 H ARG A 46 5.681 1.037 7.902 1.00 0.00 H new ATOM 0 HA ARG A 46 5.507 -0.681 10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.683 0.896 10.857 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.204 1.685 10.493 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.326 2.297 8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.795 1.548 8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.843 4.041 8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.373 3.135 10.405 1.00 0.00 H new ATOM 0 HE ARG A 46 5.237 3.655 10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.067 5.052 11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.699 6.213 12.224 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.046 5.145 11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.946 6.265 12.691 1.00 0.00 H new ATOM 611 N ALA A 47 3.116 -0.861 7.931 1.00 0.00 N ATOM 612 CA ALA A 47 1.913 -1.603 7.577 1.00 0.00 C ATOM 613 C ALA A 47 2.237 -2.954 6.947 1.00 0.00 C ATOM 614 O ALA A 47 1.375 -3.823 6.846 1.00 0.00 O ATOM 615 CB ALA A 47 1.041 -0.778 6.648 1.00 0.00 C ATOM 0 H ALA A 47 3.418 -0.178 7.236 1.00 0.00 H new ATOM 0 HA ALA A 47 1.366 -1.800 8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.146 -1.344 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.754 0.149 7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.596 -0.545 5.739 1.00 0.00 H new ATOM 621 N GLY A 48 3.490 -3.127 6.539 1.00 0.00 N ATOM 622 CA GLY A 48 3.899 -4.371 5.908 1.00 0.00 C ATOM 623 C GLY A 48 3.339 -4.505 4.507 1.00 0.00 C ATOM 624 O GLY A 48 3.183 -5.613 3.989 1.00 0.00 O ATOM 0 H GLY A 48 4.229 -2.430 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.987 -4.418 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.565 -5.213 6.515 1.00 0.00 H new ATOM 628 N VAL A 49 3.046 -3.368 3.896 1.00 0.00 N ATOM 629 CA VAL A 49 2.487 -3.333 2.555 1.00 0.00 C ATOM 630 C VAL A 49 3.360 -2.487 1.654 1.00 0.00 C ATOM 631 O VAL A 49 4.182 -1.703 2.132 1.00 0.00 O ATOM 632 CB VAL A 49 1.057 -2.752 2.540 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.097 -3.667 3.273 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.033 -1.356 3.149 1.00 0.00 C ATOM 0 H VAL A 49 3.188 -2.448 4.313 1.00 0.00 H new ATOM 0 HA VAL A 49 2.447 -4.362 2.197 1.00 0.00 H new ATOM 0 HB VAL A 49 0.735 -2.678 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.905 -3.237 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.084 -4.644 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.420 -3.779 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.015 -0.967 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.382 -1.403 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.685 -0.697 2.575 1.00 0.00 H new ATOM 644 N LYS A 50 3.193 -2.650 0.358 1.00 0.00 N ATOM 645 CA LYS A 50 3.889 -1.814 -0.596 1.00 0.00 C ATOM 646 C LYS A 50 2.949 -0.737 -1.101 1.00 0.00 C ATOM 647 O LYS A 50 1.890 -1.036 -1.645 1.00 0.00 O ATOM 648 CB LYS A 50 4.402 -2.651 -1.772 1.00 0.00 C ATOM 649 CG LYS A 50 5.135 -1.835 -2.824 1.00 0.00 C ATOM 650 CD LYS A 50 5.530 -2.686 -4.019 1.00 0.00 C ATOM 651 CE LYS A 50 6.276 -1.876 -5.067 1.00 0.00 C ATOM 652 NZ LYS A 50 7.565 -1.350 -4.552 1.00 0.00 N ATOM 0 H LYS A 50 2.582 -3.353 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 50 4.744 -1.352 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.070 -3.424 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.559 -3.160 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.500 -1.014 -3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.027 -1.390 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.157 -3.513 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.637 -3.123 -4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.463 -2.499 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.651 -1.045 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.138 -0.998 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.381 -0.573 -3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.080 -2.110 -4.064 1.00 0.00 H new ATOM 666 N MET A 51 3.333 0.513 -0.921 1.00 0.00 N ATOM 667 CA MET A 51 2.567 1.621 -1.462 1.00 0.00 C ATOM 668 C MET A 51 3.347 2.258 -2.589 1.00 0.00 C ATOM 669 O MET A 51 4.434 2.798 -2.374 1.00 0.00 O ATOM 670 CB MET A 51 2.263 2.681 -0.397 1.00 0.00 C ATOM 671 CG MET A 51 1.298 2.223 0.681 1.00 0.00 C ATOM 672 SD MET A 51 0.829 3.572 1.781 1.00 0.00 S ATOM 673 CE MET A 51 -0.345 2.753 2.849 1.00 0.00 C ATOM 0 H MET A 51 4.169 0.787 -0.405 1.00 0.00 H new ATOM 0 HA MET A 51 1.617 1.228 -1.824 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.198 2.985 0.074 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.851 3.563 -0.886 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.405 1.807 0.215 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.756 1.423 1.263 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.345 3.140 2.655 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.327 1.681 2.655 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.080 2.938 3.890 1.00 0.00 H new ATOM 683 N ILE A 52 2.818 2.182 -3.789 1.00 0.00 N ATOM 684 CA ILE A 52 3.439 2.857 -4.903 1.00 0.00 C ATOM 685 C ILE A 52 2.577 4.033 -5.336 1.00 0.00 C ATOM 686 O ILE A 52 1.502 3.873 -5.916 1.00 0.00 O ATOM 687 CB ILE A 52 3.734 1.899 -6.087 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.337 2.671 -7.266 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.483 1.144 -6.515 1.00 0.00 C ATOM 690 CD1 ILE A 52 4.776 1.783 -8.412 1.00 0.00 C ATOM 0 H ILE A 52 1.968 1.665 -4.016 1.00 0.00 H new ATOM 0 HA ILE A 52 4.408 3.232 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 52 4.463 1.162 -5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.603 3.388 -7.634 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.194 3.245 -6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.724 0.482 -7.346 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.110 0.554 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.718 1.855 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.192 2.398 -9.210 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.534 1.083 -8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.918 1.228 -8.792 1.00 0.00 H new ATOM 702 N LEU A 53 3.041 5.214 -4.983 1.00 0.00 N ATOM 703 CA LEU A 53 2.370 6.446 -5.342 1.00 0.00 C ATOM 704 C LEU A 53 2.863 6.905 -6.703 1.00 0.00 C ATOM 705 O LEU A 53 4.010 7.337 -6.837 1.00 0.00 O ATOM 706 CB LEU A 53 2.642 7.516 -4.274 1.00 0.00 C ATOM 707 CG LEU A 53 1.611 7.621 -3.141 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.287 8.132 -3.677 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.425 6.279 -2.446 1.00 0.00 C ATOM 0 H LEU A 53 3.894 5.347 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 53 1.294 6.281 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.618 7.318 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.707 8.485 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 53 1.986 8.332 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.433 8.201 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.430 9.118 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.088 7.445 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.690 6.381 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.076 5.541 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.376 5.953 -2.024 1.00 0.00 H new ATOM 721 N ILE A 54 2.016 6.781 -7.721 1.00 0.00 N ATOM 722 CA ILE A 54 2.413 7.150 -9.069 1.00 0.00 C ATOM 723 C ILE A 54 2.453 8.666 -9.217 1.00 0.00 C ATOM 724 O ILE A 54 1.490 9.306 -9.640 1.00 0.00 O ATOM 725 CB ILE A 54 1.484 6.539 -10.146 1.00 0.00 C ATOM 726 CG1 ILE A 54 1.424 5.012 -10.005 1.00 0.00 C ATOM 727 CG2 ILE A 54 1.955 6.923 -11.547 1.00 0.00 C ATOM 728 CD1 ILE A 54 2.753 4.324 -10.218 1.00 0.00 C ATOM 0 H ILE A 54 1.061 6.431 -7.637 1.00 0.00 H new ATOM 0 HA ILE A 54 3.411 6.742 -9.228 1.00 0.00 H new ATOM 0 HB ILE A 54 0.482 6.941 -9.996 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.052 4.763 -9.011 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.703 4.619 -10.722 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.288 6.483 -12.288 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.946 8.008 -11.649 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.968 6.552 -11.705 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.628 3.247 -10.102 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.118 4.541 -11.222 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.472 4.687 -9.484 1.00 0.00 H new ATOM 740 N GLN A 55 3.583 9.219 -8.833 1.00 0.00 N ATOM 741 CA GLN A 55 3.899 10.611 -9.075 1.00 0.00 C ATOM 742 C GLN A 55 5.216 10.672 -9.829 1.00 0.00 C ATOM 743 O GLN A 55 5.421 11.519 -10.696 1.00 0.00 O ATOM 744 CB GLN A 55 3.999 11.389 -7.762 1.00 0.00 C ATOM 745 CG GLN A 55 4.702 10.625 -6.650 1.00 0.00 C ATOM 746 CD GLN A 55 5.469 11.534 -5.710 1.00 0.00 C ATOM 747 OE1 GLN A 55 5.094 12.686 -5.497 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.555 11.024 -5.148 1.00 0.00 N ATOM 0 H GLN A 55 4.316 8.710 -8.339 1.00 0.00 H new ATOM 0 HA GLN A 55 3.105 11.070 -9.664 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.532 12.322 -7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.995 11.654 -7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.964 10.060 -6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.388 9.901 -7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.831 10.063 -5.351 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.115 11.592 -4.512 1.00 0.00 H new ATOM 862 N ASP A 64 -5.119 13.583 -10.163 1.00 0.00 N ATOM 863 CA ASP A 64 -5.322 12.559 -9.139 1.00 0.00 C ATOM 864 C ASP A 64 -4.193 11.539 -9.182 1.00 0.00 C ATOM 865 O ASP A 64 -3.747 11.139 -10.256 1.00 0.00 O ATOM 866 CB ASP A 64 -6.666 11.842 -9.323 1.00 0.00 C ATOM 867 CG ASP A 64 -7.862 12.745 -9.095 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.190 13.026 -7.926 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.488 13.171 -10.089 1.00 0.00 O ATOM 0 HA ASP A 64 -5.327 13.058 -8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.716 11.432 -10.332 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.718 11.000 -8.633 1.00 0.00 H new ATOM 874 N LYS A 65 -3.761 11.103 -8.013 1.00 0.00 N ATOM 875 CA LYS A 65 -2.561 10.291 -7.891 1.00 0.00 C ATOM 876 C LYS A 65 -2.907 8.817 -7.889 1.00 0.00 C ATOM 877 O LYS A 65 -3.633 8.353 -7.010 1.00 0.00 O ATOM 878 CB LYS A 65 -1.810 10.641 -6.603 1.00 0.00 C ATOM 879 CG LYS A 65 -1.468 12.120 -6.486 1.00 0.00 C ATOM 880 CD LYS A 65 -0.547 12.558 -7.610 1.00 0.00 C ATOM 881 CE LYS A 65 -0.460 14.071 -7.716 1.00 0.00 C ATOM 882 NZ LYS A 65 0.177 14.691 -6.527 1.00 0.00 N ATOM 0 H LYS A 65 -4.227 11.299 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.923 10.502 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.416 10.347 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.890 10.058 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.383 12.711 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.991 12.311 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.449 12.148 -7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.906 12.148 -8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.108 14.337 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.462 14.481 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.542 15.201 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.606 13.950 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.913 15.357 -6.836 1.00 0.00 H new ATOM 896 N PRO A 66 -2.409 8.070 -8.884 1.00 0.00 N ATOM 897 CA PRO A 66 -2.555 6.619 -8.928 1.00 0.00 C ATOM 898 C PRO A 66 -1.800 5.961 -7.781 1.00 0.00 C ATOM 899 O PRO A 66 -0.573 5.883 -7.789 1.00 0.00 O ATOM 900 CB PRO A 66 -1.938 6.227 -10.280 1.00 0.00 C ATOM 901 CG PRO A 66 -1.898 7.492 -11.064 1.00 0.00 C ATOM 902 CD PRO A 66 -1.682 8.579 -10.053 1.00 0.00 C ATOM 0 HA PRO A 66 -3.592 6.299 -8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.939 5.810 -10.152 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.538 5.469 -10.783 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.094 7.474 -11.799 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.828 7.644 -11.612 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.624 8.731 -9.839 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.079 9.535 -10.394 1.00 0.00 H new ATOM 910 N LEU A 67 -2.536 5.516 -6.786 1.00 0.00 N ATOM 911 CA LEU A 67 -1.951 4.867 -5.631 1.00 0.00 C ATOM 912 C LEU A 67 -2.179 3.371 -5.738 1.00 0.00 C ATOM 913 O LEU A 67 -3.268 2.942 -6.097 1.00 0.00 O ATOM 914 CB LEU A 67 -2.589 5.441 -4.348 1.00 0.00 C ATOM 915 CG LEU A 67 -2.185 4.786 -3.013 1.00 0.00 C ATOM 916 CD1 LEU A 67 -2.548 5.669 -1.833 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.862 3.444 -2.831 1.00 0.00 C ATOM 0 H LEU A 67 -3.553 5.593 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.877 5.051 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.344 6.502 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.672 5.369 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.104 4.649 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.250 5.179 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.031 6.624 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.625 5.839 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.556 3.008 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.944 3.578 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.574 2.778 -3.644 1.00 0.00 H new ATOM 929 N ARG A 68 -1.164 2.578 -5.439 1.00 0.00 N ATOM 930 CA ARG A 68 -1.340 1.136 -5.381 1.00 0.00 C ATOM 931 C ARG A 68 -0.754 0.567 -4.100 1.00 0.00 C ATOM 932 O ARG A 68 0.464 0.540 -3.915 1.00 0.00 O ATOM 933 CB ARG A 68 -0.717 0.448 -6.594 1.00 0.00 C ATOM 934 CG ARG A 68 -1.411 0.782 -7.897 1.00 0.00 C ATOM 935 CD ARG A 68 -0.857 -0.019 -9.061 1.00 0.00 C ATOM 936 NE ARG A 68 -1.530 0.332 -10.311 1.00 0.00 N ATOM 937 CZ ARG A 68 -0.988 0.205 -11.519 1.00 0.00 C ATOM 938 NH1 ARG A 68 0.236 -0.288 -11.660 1.00 0.00 N ATOM 939 NH2 ARG A 68 -1.688 0.555 -12.587 1.00 0.00 N ATOM 0 H ARG A 68 -0.219 2.903 -5.235 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.412 0.940 -5.392 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.332 0.735 -6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.743 -0.631 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.479 0.587 -7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.299 1.846 -8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.213 0.166 -9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.981 -1.084 -8.865 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.480 0.699 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.769 -0.573 -10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.644 -0.382 -12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.635 0.919 -12.479 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.280 0.461 -13.517 1.00 0.00 H new ATOM 953 N ILE A 69 -1.633 0.149 -3.203 1.00 0.00 N ATOM 954 CA ILE A 69 -1.222 -0.561 -2.004 1.00 0.00 C ATOM 955 C ILE A 69 -1.245 -2.054 -2.286 1.00 0.00 C ATOM 956 O ILE A 69 -2.314 -2.657 -2.376 1.00 0.00 O ATOM 957 CB ILE A 69 -2.153 -0.262 -0.817 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.218 1.227 -0.546 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.684 -0.997 0.430 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.555 1.654 0.002 1.00 0.00 C ATOM 0 H ILE A 69 -2.640 0.290 -3.284 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.219 -0.228 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.152 -0.612 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.435 1.499 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.016 1.771 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.356 -0.773 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.686 -2.071 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.674 -0.675 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.549 2.730 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.338 1.409 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.747 1.133 0.940 1.00 0.00 H new ATOM 972 N ILE A 70 -0.074 -2.633 -2.453 1.00 0.00 N ATOM 973 CA ILE A 70 0.039 -4.027 -2.836 1.00 0.00 C ATOM 974 C ILE A 70 0.467 -4.875 -1.643 1.00 0.00 C ATOM 975 O ILE A 70 1.464 -4.571 -0.985 1.00 0.00 O ATOM 976 CB ILE A 70 1.067 -4.212 -3.977 1.00 0.00 C ATOM 977 CG1 ILE A 70 0.976 -3.050 -4.971 1.00 0.00 C ATOM 978 CG2 ILE A 70 0.825 -5.536 -4.691 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.020 -3.104 -6.064 1.00 0.00 C ATOM 0 H ILE A 70 0.819 -2.157 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.942 -4.350 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 70 2.068 -4.222 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.014 -3.049 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.078 -2.110 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.554 -5.656 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.928 -6.356 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.181 -5.544 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.894 -2.250 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.015 -3.074 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.905 -4.027 -6.632 1.00 0.00 H new ATOM 991 N GLY A 71 -0.302 -5.915 -1.348 1.00 0.00 N ATOM 992 CA GLY A 71 0.079 -6.839 -0.303 1.00 0.00 C ATOM 993 C GLY A 71 -1.089 -7.658 0.208 1.00 0.00 C ATOM 994 O GLY A 71 -1.839 -8.244 -0.574 1.00 0.00 O ATOM 0 H GLY A 71 -1.182 -6.133 -1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.850 -7.510 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.518 -6.283 0.526 1.00 0.00 H new ATOM 998 N ASP A 72 -1.240 -7.680 1.521 1.00 0.00 N ATOM 999 CA ASP A 72 -2.268 -8.474 2.186 1.00 0.00 C ATOM 1000 C ASP A 72 -3.571 -7.699 2.315 1.00 0.00 C ATOM 1001 O ASP A 72 -3.574 -6.550 2.742 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.755 -8.891 3.563 1.00 0.00 C ATOM 1003 CG ASP A 72 -2.868 -9.182 4.555 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.522 -10.233 4.439 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -3.092 -8.348 5.449 1.00 0.00 O ATOM 0 H ASP A 72 -0.652 -7.147 2.162 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.477 -9.359 1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.131 -9.778 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.120 -8.100 3.962 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.699 -8.351 1.958 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.031 -7.725 1.916 1.00 0.00 C ATOM 1012 C PRO A 73 -6.406 -7.018 3.213 1.00 0.00 C ATOM 1013 O PRO A 73 -7.207 -6.083 3.212 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.981 -8.904 1.693 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.154 -9.978 1.081 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.753 -9.777 1.577 1.00 0.00 C ATOM 0 HA PRO A 73 -6.071 -6.956 1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.420 -9.236 2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.806 -8.624 1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.527 -10.962 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.191 -9.923 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.536 -10.424 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.021 -10.010 0.804 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.828 -7.477 4.313 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.142 -6.950 5.628 1.00 0.00 C ATOM 1026 C TYR A 74 -5.329 -5.687 5.904 1.00 0.00 C ATOM 1027 O TYR A 74 -5.890 -4.622 6.178 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.861 -8.027 6.681 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.187 -7.639 8.105 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.484 -7.736 8.591 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.193 -7.197 8.969 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.780 -7.409 9.900 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.482 -6.864 10.276 1.00 0.00 C ATOM 1034 CZ TYR A 74 -6.777 -6.970 10.736 1.00 0.00 C ATOM 1035 OH TYR A 74 -7.066 -6.649 12.042 1.00 0.00 O ATOM 0 H TYR A 74 -5.131 -8.222 4.317 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.197 -6.679 5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.432 -8.920 6.425 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.806 -8.297 6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.274 -8.072 7.935 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.177 -7.113 8.612 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.792 -7.497 10.266 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.698 -6.522 10.935 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.248 -6.358 12.496 1.00 0.00 H new ATOM 1045 N LYS A 75 -4.007 -5.801 5.810 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.128 -4.665 6.055 1.00 0.00 C ATOM 1047 C LYS A 75 -3.213 -3.639 4.931 1.00 0.00 C ATOM 1048 O LYS A 75 -2.984 -2.458 5.162 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.680 -5.115 6.282 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.157 -6.108 5.265 1.00 0.00 C ATOM 1051 CD LYS A 75 0.184 -6.689 5.695 1.00 0.00 C ATOM 1052 CE LYS A 75 0.040 -7.579 6.921 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.356 -7.995 7.471 1.00 0.00 N ATOM 0 H LYS A 75 -3.524 -6.666 5.567 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.473 -4.182 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.036 -4.236 6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.603 -5.559 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.880 -6.914 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.050 -5.618 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.612 -7.265 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.880 -5.879 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.521 -7.048 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.539 -8.465 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.209 -8.599 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.883 -8.525 6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.899 -7.152 7.746 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.555 -4.079 3.725 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.791 -3.153 2.624 1.00 0.00 C ATOM 1069 C VAL A 76 -4.947 -2.216 2.959 1.00 0.00 C ATOM 1070 O VAL A 76 -4.873 -1.016 2.708 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.079 -3.894 1.292 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.694 -2.963 0.259 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.800 -4.497 0.737 1.00 0.00 C ATOM 0 H VAL A 76 -3.674 -5.063 3.486 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.879 -2.571 2.488 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.794 -4.689 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.883 -3.515 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.633 -2.564 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.007 -2.141 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.017 -5.014 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.074 -3.705 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.390 -5.206 1.457 1.00 0.00 H new ATOM 1083 N GLN A 77 -5.991 -2.760 3.572 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.154 -1.965 3.918 1.00 0.00 C ATOM 1085 C GLN A 77 -6.852 -1.084 5.118 1.00 0.00 C ATOM 1086 O GLN A 77 -7.202 0.092 5.128 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.369 -2.850 4.199 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.484 -2.684 3.176 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.006 -1.257 3.092 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.420 -0.801 2.029 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.023 -0.550 4.210 1.00 0.00 N ATOM 0 H GLN A 77 -6.053 -3.743 3.837 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.393 -1.330 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.054 -3.893 4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.757 -2.618 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.119 -2.990 2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.307 -3.352 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.672 -0.958 5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.387 0.403 4.205 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.185 -1.652 6.119 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.795 -0.887 7.293 1.00 0.00 C ATOM 1102 C GLN A 78 -4.848 0.238 6.910 1.00 0.00 C ATOM 1103 O GLN A 78 -4.894 1.317 7.486 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.135 -1.771 8.347 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.084 -2.763 8.995 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.603 -3.218 10.358 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -4.402 -3.260 10.630 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -6.537 -3.553 11.231 1.00 0.00 N ATOM 0 H GLN A 78 -5.906 -2.633 6.139 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.705 -0.465 7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.312 -2.317 7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.703 -1.137 9.121 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.069 -2.307 9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.198 -3.630 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.521 -3.505 10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.273 -3.859 12.167 1.00 0.00 H new ATOM 1117 N ALA A 79 -3.988 -0.021 5.938 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.067 0.989 5.455 1.00 0.00 C ATOM 1119 C ALA A 79 -3.798 2.007 4.592 1.00 0.00 C ATOM 1120 O ALA A 79 -3.467 3.192 4.595 1.00 0.00 O ATOM 1121 CB ALA A 79 -1.932 0.342 4.680 1.00 0.00 C ATOM 0 H ALA A 79 -3.910 -0.924 5.469 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.642 1.512 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.249 1.113 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.394 -0.347 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.338 -0.205 3.829 1.00 0.00 H new ATOM 1127 N CYS A 80 -4.800 1.536 3.862 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.631 2.409 3.052 1.00 0.00 C ATOM 1129 C CYS A 80 -6.378 3.386 3.936 1.00 0.00 C ATOM 1130 O CYS A 80 -6.234 4.591 3.781 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.614 1.591 2.215 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.689 2.578 1.151 1.00 0.00 S ATOM 0 H CYS A 80 -5.056 0.550 3.816 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.987 2.970 2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.051 0.893 1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.234 0.995 2.884 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.481 1.791 0.484 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.146 2.873 4.890 1.00 0.00 N ATOM 1139 CA GLU A 81 -7.883 3.742 5.792 1.00 0.00 C ATOM 1140 C GLU A 81 -6.926 4.528 6.673 1.00 0.00 C ATOM 1141 O GLU A 81 -7.273 5.589 7.164 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.900 2.955 6.630 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.332 1.756 7.375 1.00 0.00 C ATOM 1144 CD GLU A 81 -8.028 2.028 8.837 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -7.295 2.984 9.146 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -8.527 1.264 9.696 1.00 0.00 O ATOM 0 H GLU A 81 -7.272 1.875 5.056 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.450 4.451 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.352 3.632 7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.699 2.610 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.041 0.930 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.418 1.432 6.878 1.00 0.00 H new ATOM 1153 N MET A 82 -5.716 4.011 6.848 1.00 0.00 N ATOM 1154 CA MET A 82 -4.675 4.728 7.581 1.00 0.00 C ATOM 1155 C MET A 82 -4.381 6.059 6.908 1.00 0.00 C ATOM 1156 O MET A 82 -4.418 7.111 7.543 1.00 0.00 O ATOM 1157 CB MET A 82 -3.392 3.897 7.638 1.00 0.00 C ATOM 1158 CG MET A 82 -2.287 4.513 8.482 1.00 0.00 C ATOM 1159 SD MET A 82 -0.690 3.701 8.235 1.00 0.00 S ATOM 1160 CE MET A 82 -1.129 1.970 8.425 1.00 0.00 C ATOM 0 H MET A 82 -5.430 3.099 6.493 1.00 0.00 H new ATOM 0 HA MET A 82 -5.033 4.905 8.595 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.629 2.910 8.035 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.021 3.752 6.623 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.194 5.571 8.237 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.562 4.453 9.535 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.456 1.501 9.143 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.155 1.892 8.785 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.043 1.465 7.463 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.103 6.005 5.611 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.752 7.202 4.863 1.00 0.00 C ATOM 1172 C VAL A 83 -5.002 7.950 4.405 1.00 0.00 C ATOM 1173 O VAL A 83 -5.024 9.179 4.384 1.00 0.00 O ATOM 1174 CB VAL A 83 -2.849 6.877 3.649 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.610 6.130 4.104 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.592 6.076 2.587 1.00 0.00 C ATOM 0 H VAL A 83 -4.114 5.148 5.059 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.188 7.845 5.538 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.552 7.823 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.982 5.907 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.052 6.746 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.904 5.199 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.922 5.869 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.938 5.136 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.448 6.649 2.232 1.00 0.00 H new ATOM 1186 N MET A 84 -6.049 7.202 4.068 1.00 0.00 N ATOM 1187 CA MET A 84 -7.302 7.789 3.612 1.00 0.00 C ATOM 1188 C MET A 84 -7.948 8.586 4.731 1.00 0.00 C ATOM 1189 O MET A 84 -8.552 9.627 4.493 1.00 0.00 O ATOM 1190 CB MET A 84 -8.259 6.701 3.118 1.00 0.00 C ATOM 1191 CG MET A 84 -9.592 7.236 2.626 1.00 0.00 C ATOM 1192 SD MET A 84 -10.661 5.942 1.962 1.00 0.00 S ATOM 1193 CE MET A 84 -10.853 4.886 3.397 1.00 0.00 C ATOM 0 H MET A 84 -6.052 6.183 4.103 1.00 0.00 H new ATOM 0 HA MET A 84 -7.084 8.461 2.782 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.780 6.148 2.311 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.438 5.993 3.927 1.00 0.00 H new ATOM 0 HG2 MET A 84 -10.103 7.737 3.448 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.415 7.986 1.855 1.00 0.00 H new ATOM 0 HE1 MET A 84 -11.766 4.300 3.298 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.997 4.215 3.472 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.912 5.500 4.295 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.797 8.098 5.956 1.00 0.00 N ATOM 1204 CA ASP A 85 -8.322 8.801 7.122 1.00 0.00 C ATOM 1205 C ASP A 85 -7.670 10.167 7.246 1.00 0.00 C ATOM 1206 O ASP A 85 -8.331 11.148 7.571 1.00 0.00 O ATOM 1207 CB ASP A 85 -8.079 7.998 8.397 1.00 0.00 C ATOM 1208 CG ASP A 85 -8.643 8.664 9.629 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -9.880 8.649 9.804 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.852 9.196 10.437 1.00 0.00 O ATOM 0 H ASP A 85 -7.318 7.223 6.168 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.397 8.924 6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.526 7.010 8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.007 7.851 8.529 1.00 0.00 H new ATOM 1215 N ILE A 86 -6.370 10.217 6.973 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.625 11.470 6.974 1.00 0.00 C ATOM 1217 C ILE A 86 -6.142 12.383 5.867 1.00 0.00 C ATOM 1218 O ILE A 86 -6.306 13.589 6.054 1.00 0.00 O ATOM 1219 CB ILE A 86 -4.115 11.226 6.749 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.606 10.103 7.655 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -3.323 12.497 7.006 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -2.148 9.756 7.431 1.00 0.00 C ATOM 0 H ILE A 86 -5.807 9.397 6.747 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.767 11.938 7.948 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.974 10.928 5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.745 10.396 8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.212 9.212 7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.263 12.304 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.659 13.279 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.478 12.821 8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.857 8.953 8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.005 9.432 6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.531 10.634 7.624 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.412 11.783 4.715 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.888 12.515 3.552 1.00 0.00 C ATOM 1236 C LEU A 87 -8.258 13.131 3.814 1.00 0.00 C ATOM 1237 O LEU A 87 -8.553 14.231 3.348 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.970 11.585 2.339 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.676 10.852 1.982 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.869 10.013 0.730 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.530 11.831 1.801 1.00 0.00 C ATOM 0 H LEU A 87 -6.307 10.780 4.562 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.179 13.317 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.748 10.844 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.286 12.170 1.475 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.422 10.187 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.939 9.498 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.656 9.279 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.151 10.659 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.621 11.285 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.770 12.528 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.374 12.384 2.727 1.00 0.00 H new ATOM 1253 N ARG A 88 -9.089 12.415 4.563 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.449 12.861 4.843 1.00 0.00 C ATOM 1255 C ARG A 88 -10.519 13.597 6.177 1.00 0.00 C ATOM 1256 O ARG A 88 -11.605 13.892 6.679 1.00 0.00 O ATOM 1257 CB ARG A 88 -11.405 11.666 4.871 1.00 0.00 C ATOM 1258 CG ARG A 88 -11.303 10.765 3.649 1.00 0.00 C ATOM 1259 CD ARG A 88 -11.653 11.502 2.372 1.00 0.00 C ATOM 1260 NE ARG A 88 -13.069 11.859 2.314 1.00 0.00 N ATOM 1261 CZ ARG A 88 -13.586 12.695 1.413 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -12.806 13.271 0.509 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -14.885 12.954 1.410 1.00 0.00 N ATOM 0 H ARG A 88 -8.844 11.521 4.988 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.746 13.546 4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.205 11.074 5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.428 12.033 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.290 10.369 3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.971 9.912 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.048 12.406 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.401 10.879 1.514 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.698 11.445 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.805 13.075 0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.207 13.910 -0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.495 12.513 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.276 13.594 0.719 1.00 0.00 H new ATOM 1277 N GLU A 89 -9.363 13.891 6.748 1.00 0.00 N ATOM 1278 CA GLU A 89 -9.304 14.548 8.042 1.00 0.00 C ATOM 1279 C GLU A 89 -8.874 16.003 7.879 1.00 0.00 C ATOM 1280 O GLU A 89 -7.657 16.262 7.756 1.00 0.00 O ATOM 1281 CB GLU A 89 -8.343 13.801 8.972 1.00 0.00 C ATOM 1282 CG GLU A 89 -8.436 14.248 10.420 1.00 0.00 C ATOM 1283 CD GLU A 89 -7.515 13.468 11.331 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -6.344 13.870 11.486 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -7.959 12.452 11.906 1.00 0.00 O ATOM 1286 OXT GLU A 89 -9.758 16.880 7.857 1.00 0.00 O ATOM 0 H GLU A 89 -8.453 13.685 6.336 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.298 14.533 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.551 12.733 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.322 13.946 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.192 15.308 10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.464 14.135 10.766 1.00 0.00 H new