USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 451 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 MET CE :methyl -164:sc= -0.0626 (180deg=-0.393) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.239 K(o=-0.24,f=-3.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 17:sc= 0.383 USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= 0.614 (180deg=-0.0202) USER MOD Single : A 53 ASN : amide:sc=-0.00327 X(o=-0.0033,f=-0.0033) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.082 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.14) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 12 18.631 84.560 45.930 1.00 0.00 N ATOM 114 CA ALA A 12 18.080 85.902 45.739 1.00 0.00 C ATOM 115 C ALA A 12 18.991 87.066 46.143 1.00 0.00 C ATOM 116 O ALA A 12 19.084 88.039 45.386 1.00 0.00 O ATOM 117 CB ALA A 12 16.755 85.974 46.506 1.00 0.00 C ATOM 0 HA ALA A 12 17.952 86.035 44.665 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.317 86.965 46.384 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.068 85.223 46.116 1.00 0.00 H new ATOM 0 HB3 ALA A 12 16.936 85.786 47.564 1.00 0.00 H new ATOM 123 N MET A 13 19.669 87.002 47.294 1.00 0.00 N ATOM 124 CA MET A 13 20.447 88.137 47.835 1.00 0.00 C ATOM 125 C MET A 13 21.684 88.374 46.948 1.00 0.00 C ATOM 126 O MET A 13 22.524 87.491 46.821 1.00 0.00 O ATOM 127 CB MET A 13 20.857 87.859 49.301 1.00 0.00 C ATOM 128 CG MET A 13 19.681 87.542 50.235 1.00 0.00 C ATOM 129 SD MET A 13 20.139 87.090 51.932 1.00 0.00 S ATOM 130 CE MET A 13 21.111 85.576 51.644 1.00 0.00 C ATOM 0 H MET A 13 19.698 86.168 47.880 1.00 0.00 H new ATOM 0 HA MET A 13 19.832 89.037 47.829 1.00 0.00 H new ATOM 0 HB2 MET A 13 21.556 87.023 49.318 1.00 0.00 H new ATOM 0 HB3 MET A 13 21.390 88.728 49.688 1.00 0.00 H new ATOM 0 HG2 MET A 13 19.024 88.411 50.273 1.00 0.00 H new ATOM 0 HG3 MET A 13 19.104 86.725 49.802 1.00 0.00 H new ATOM 0 HE1 MET A 13 21.219 85.029 52.581 1.00 0.00 H new ATOM 0 HE2 MET A 13 20.599 84.948 50.915 1.00 0.00 H new ATOM 0 HE3 MET A 13 22.097 85.843 51.264 1.00 0.00 H new ATOM 140 N GLU A 14 21.748 89.527 46.276 1.00 0.00 N ATOM 141 CA GLU A 14 22.710 89.800 45.186 1.00 0.00 C ATOM 142 C GLU A 14 22.765 88.696 44.089 1.00 0.00 C ATOM 143 O GLU A 14 23.802 88.458 43.478 1.00 0.00 O ATOM 144 CB GLU A 14 24.087 90.221 45.739 1.00 0.00 C ATOM 145 CG GLU A 14 24.038 91.596 46.421 1.00 0.00 C ATOM 146 CD GLU A 14 23.603 92.666 45.425 1.00 0.00 C ATOM 147 OE1 GLU A 14 24.404 93.032 44.526 1.00 0.00 O ATOM 148 OE2 GLU A 14 22.421 93.067 45.480 1.00 0.00 O ATOM 0 H GLU A 14 21.128 90.313 46.471 1.00 0.00 H new ATOM 0 HA GLU A 14 22.324 90.662 44.643 1.00 0.00 H new ATOM 0 HB2 GLU A 14 24.434 89.474 46.453 1.00 0.00 H new ATOM 0 HB3 GLU A 14 24.812 90.246 44.926 1.00 0.00 H new ATOM 0 HG2 GLU A 14 23.344 91.568 47.261 1.00 0.00 H new ATOM 0 HG3 GLU A 14 25.019 91.844 46.826 1.00 0.00 H new ATOM 155 N ILE A 15 21.620 88.043 43.842 1.00 0.00 N ATOM 156 CA ILE A 15 21.456 87.002 42.807 1.00 0.00 C ATOM 157 C ILE A 15 20.261 87.359 41.916 1.00 0.00 C ATOM 158 O ILE A 15 20.457 88.063 40.921 1.00 0.00 O ATOM 159 CB ILE A 15 21.435 85.573 43.417 1.00 0.00 C ATOM 160 CG1 ILE A 15 22.722 85.254 44.224 1.00 0.00 C ATOM 161 CG2 ILE A 15 21.303 84.510 42.319 1.00 0.00 C ATOM 162 CD1 ILE A 15 22.475 84.183 45.282 1.00 0.00 C ATOM 0 H ILE A 15 20.763 88.225 44.364 1.00 0.00 H new ATOM 0 HA ILE A 15 22.328 86.979 42.153 1.00 0.00 H new ATOM 0 HB ILE A 15 20.575 85.549 44.086 1.00 0.00 H new ATOM 0 HG12 ILE A 15 23.505 84.919 43.543 1.00 0.00 H new ATOM 0 HG13 ILE A 15 23.085 86.163 44.704 1.00 0.00 H new ATOM 0 HG21 ILE A 15 21.291 83.519 42.772 1.00 0.00 H new ATOM 0 HG22 ILE A 15 20.376 84.669 41.768 1.00 0.00 H new ATOM 0 HG23 ILE A 15 22.149 84.586 41.635 1.00 0.00 H new ATOM 0 HD11 ILE A 15 23.400 83.988 45.825 1.00 0.00 H new ATOM 0 HD12 ILE A 15 21.711 84.529 45.978 1.00 0.00 H new ATOM 0 HD13 ILE A 15 22.137 83.266 44.799 1.00 0.00 H new ATOM 174 N VAL A 16 19.031 86.935 42.250 1.00 0.00 N ATOM 175 CA VAL A 16 17.802 87.329 41.542 1.00 0.00 C ATOM 176 C VAL A 16 17.021 88.382 42.329 1.00 0.00 C ATOM 177 O VAL A 16 17.093 89.557 41.964 1.00 0.00 O ATOM 178 CB VAL A 16 16.941 86.120 41.105 1.00 0.00 C ATOM 179 CG1 VAL A 16 15.636 86.554 40.416 1.00 0.00 C ATOM 180 CG2 VAL A 16 17.696 85.260 40.077 1.00 0.00 C ATOM 0 H VAL A 16 18.860 86.300 43.030 1.00 0.00 H new ATOM 0 HA VAL A 16 18.106 87.801 40.608 1.00 0.00 H new ATOM 0 HB VAL A 16 16.723 85.567 42.019 1.00 0.00 H new ATOM 0 HG11 VAL A 16 15.066 85.671 40.128 1.00 0.00 H new ATOM 0 HG12 VAL A 16 15.045 87.159 41.104 1.00 0.00 H new ATOM 0 HG13 VAL A 16 15.871 87.140 39.528 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.074 84.415 39.782 1.00 0.00 H new ATOM 0 HG22 VAL A 16 17.929 85.863 39.199 1.00 0.00 H new ATOM 0 HG23 VAL A 16 18.621 84.892 40.520 1.00 0.00 H new ATOM 190 N CYS A 17 16.260 88.005 43.362 1.00 0.00 N ATOM 191 CA CYS A 17 15.334 88.900 44.060 1.00 0.00 C ATOM 192 C CYS A 17 16.051 89.778 45.106 1.00 0.00 C ATOM 193 O CYS A 17 16.070 89.476 46.308 1.00 0.00 O ATOM 194 CB CYS A 17 14.156 88.072 44.598 1.00 0.00 C ATOM 195 SG CYS A 17 12.817 89.180 45.095 1.00 0.00 S ATOM 0 H CYS A 17 16.271 87.058 43.741 1.00 0.00 H new ATOM 0 HA CYS A 17 14.918 89.630 43.366 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.805 87.380 43.833 1.00 0.00 H new ATOM 0 HB3 CYS A 17 14.479 87.470 45.448 1.00 0.00 H new ATOM 0 HG CYS A 17 11.820 88.480 45.548 1.00 0.00 H new ATOM 201 N ARG A 18 16.678 90.858 44.634 1.00 0.00 N ATOM 202 CA ARG A 18 17.531 91.783 45.384 1.00 0.00 C ATOM 203 C ARG A 18 16.701 92.704 46.282 1.00 0.00 C ATOM 204 O ARG A 18 16.135 93.703 45.814 1.00 0.00 O ATOM 205 CB ARG A 18 18.380 92.592 44.386 1.00 0.00 C ATOM 206 CG ARG A 18 19.474 91.766 43.683 1.00 0.00 C ATOM 207 CD ARG A 18 19.932 92.475 42.405 1.00 0.00 C ATOM 208 NE ARG A 18 21.198 91.936 41.864 1.00 0.00 N ATOM 209 CZ ARG A 18 22.387 92.533 41.933 1.00 0.00 C ATOM 210 NH1 ARG A 18 22.572 93.646 42.566 1.00 0.00 N ATOM 211 NH2 ARG A 18 23.433 92.035 41.344 1.00 0.00 N ATOM 0 H ARG A 18 16.598 91.127 43.653 1.00 0.00 H new ATOM 0 HA ARG A 18 18.188 91.215 46.042 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.723 93.023 43.631 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.848 93.423 44.913 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.322 91.626 44.354 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.092 90.774 43.441 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.153 92.385 41.648 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.055 93.538 42.611 1.00 0.00 H new ATOM 0 HE ARG A 18 21.158 91.030 41.398 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.790 94.101 43.037 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.500 94.069 42.594 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.355 91.167 40.813 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.332 92.512 41.412 1.00 0.00 H new ATOM 225 N ARG A 19 16.626 92.376 47.576 1.00 0.00 N ATOM 226 CA ARG A 19 15.918 93.149 48.619 1.00 0.00 C ATOM 227 C ARG A 19 16.547 92.958 50.005 1.00 0.00 C ATOM 228 O ARG A 19 16.701 91.822 50.456 1.00 0.00 O ATOM 229 CB ARG A 19 14.417 92.783 48.653 1.00 0.00 C ATOM 230 CG ARG A 19 14.097 91.280 48.540 1.00 0.00 C ATOM 231 CD ARG A 19 12.999 90.811 49.508 1.00 0.00 C ATOM 232 NE ARG A 19 13.567 90.418 50.821 1.00 0.00 N ATOM 233 CZ ARG A 19 13.374 90.959 52.003 1.00 0.00 C ATOM 234 NH1 ARG A 19 12.775 92.096 52.206 1.00 0.00 N ATOM 235 NH2 ARG A 19 13.787 90.354 53.069 1.00 0.00 N ATOM 0 H ARG A 19 17.070 91.536 47.946 1.00 0.00 H new ATOM 0 HA ARG A 19 16.016 94.202 48.357 1.00 0.00 H new ATOM 0 HB2 ARG A 19 13.991 93.158 49.583 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.915 93.306 47.839 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.788 91.058 47.518 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.005 90.708 48.729 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.271 91.610 49.649 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.465 89.966 49.073 1.00 0.00 H new ATOM 0 HE ARG A 19 14.196 89.615 50.804 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.417 92.632 51.416 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.663 92.451 53.156 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.263 89.455 52.993 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.636 90.776 53.985 1.00 0.00 H new ATOM 249 N GLU A 20 16.808 94.081 50.670 1.00 0.00 N ATOM 250 CA GLU A 20 17.528 94.229 51.944 1.00 0.00 C ATOM 251 C GLU A 20 18.974 93.686 51.975 1.00 0.00 C ATOM 252 O GLU A 20 19.327 92.756 51.251 1.00 0.00 O ATOM 253 CB GLU A 20 16.692 93.736 53.130 1.00 0.00 C ATOM 254 CG GLU A 20 15.329 94.437 53.248 1.00 0.00 C ATOM 255 CD GLU A 20 14.676 94.111 54.591 1.00 0.00 C ATOM 256 OE1 GLU A 20 14.978 94.785 55.601 1.00 0.00 O ATOM 257 OE2 GLU A 20 13.895 93.132 54.652 1.00 0.00 O ATOM 0 H GLU A 20 16.500 94.984 50.309 1.00 0.00 H new ATOM 0 HA GLU A 20 17.666 95.306 52.044 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.533 92.662 53.032 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.254 93.892 54.051 1.00 0.00 H new ATOM 0 HG2 GLU A 20 15.458 95.515 53.151 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.678 94.120 52.433 1.00 0.00 H new ATOM 264 N PHE A 21 19.827 94.269 52.845 1.00 0.00 N ATOM 265 CA PHE A 21 21.282 94.072 52.820 1.00 0.00 C ATOM 266 C PHE A 21 21.921 94.479 51.469 1.00 0.00 C ATOM 267 O PHE A 21 21.335 95.277 50.726 1.00 0.00 O ATOM 268 CB PHE A 21 21.625 92.652 53.330 1.00 0.00 C ATOM 269 CG PHE A 21 22.354 92.616 54.653 1.00 0.00 C ATOM 270 CD1 PHE A 21 23.699 93.019 54.738 1.00 0.00 C ATOM 271 CD2 PHE A 21 21.703 92.147 55.807 1.00 0.00 C ATOM 272 CE1 PHE A 21 24.388 92.930 55.959 1.00 0.00 C ATOM 273 CE2 PHE A 21 22.392 92.048 57.031 1.00 0.00 C ATOM 274 CZ PHE A 21 23.741 92.438 57.098 1.00 0.00 C ATOM 0 H PHE A 21 19.516 94.894 53.589 1.00 0.00 H new ATOM 0 HA PHE A 21 21.755 94.763 53.517 1.00 0.00 H new ATOM 0 HB2 PHE A 21 20.701 92.081 53.424 1.00 0.00 H new ATOM 0 HB3 PHE A 21 22.236 92.149 52.580 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.204 93.398 53.862 1.00 0.00 H new ATOM 0 HD2 PHE A 21 20.663 91.860 55.754 1.00 0.00 H new ATOM 0 HE1 PHE A 21 25.420 93.242 56.019 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.888 91.676 57.911 1.00 0.00 H new ATOM 0 HZ PHE A 21 24.279 92.358 58.031 1.00 0.00 H new ATOM 284 N GLY A 22 23.142 94.008 51.165 1.00 0.00 N ATOM 285 CA GLY A 22 23.867 94.342 49.937 1.00 0.00 C ATOM 286 C GLY A 22 24.268 95.812 49.823 1.00 0.00 C ATOM 287 O GLY A 22 24.234 96.575 50.795 1.00 0.00 O ATOM 0 H GLY A 22 23.657 93.375 51.777 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.765 93.727 49.881 1.00 0.00 H new ATOM 0 HA3 GLY A 22 23.247 94.079 49.080 1.00 0.00 H new ATOM 291 N HIS A 23 24.668 96.226 48.613 1.00 0.00 N ATOM 292 CA HIS A 23 24.947 97.626 48.294 1.00 0.00 C ATOM 293 C HIS A 23 24.740 97.950 46.804 1.00 0.00 C ATOM 294 O HIS A 23 23.739 98.571 46.445 1.00 0.00 O ATOM 295 CB HIS A 23 26.338 98.034 48.831 1.00 0.00 C ATOM 296 CG HIS A 23 26.299 99.356 49.546 1.00 0.00 C ATOM 297 ND1 HIS A 23 26.199 100.617 48.946 1.00 0.00 N ATOM 298 CD2 HIS A 23 26.254 99.511 50.896 1.00 0.00 C ATOM 299 CE1 HIS A 23 26.068 101.494 49.951 1.00 0.00 C ATOM 300 NE2 HIS A 23 26.119 100.853 51.133 1.00 0.00 N ATOM 0 H HIS A 23 24.807 95.592 47.826 1.00 0.00 H new ATOM 0 HA HIS A 23 24.212 98.244 48.810 1.00 0.00 H new ATOM 0 HB2 HIS A 23 26.704 97.265 49.511 1.00 0.00 H new ATOM 0 HB3 HIS A 23 27.044 98.090 48.003 1.00 0.00 H new ATOM 0 HD2 HIS A 23 26.313 98.728 51.637 1.00 0.00 H new ATOM 0 HE1 HIS A 23 25.940 102.560 49.830 1.00 0.00 H new ATOM 0 HE2 HIS A 23 26.066 101.293 52.052 1.00 0.00 H new ATOM 308 N LYS A 24 25.639 97.496 45.920 1.00 0.00 N ATOM 309 CA LYS A 24 25.560 97.709 44.454 1.00 0.00 C ATOM 310 C LYS A 24 25.518 96.399 43.670 1.00 0.00 C ATOM 311 O LYS A 24 24.509 96.067 43.063 1.00 0.00 O ATOM 312 CB LYS A 24 26.698 98.620 43.934 1.00 0.00 C ATOM 313 CG LYS A 24 26.588 100.112 44.250 1.00 0.00 C ATOM 314 CD LYS A 24 26.849 100.531 45.707 1.00 0.00 C ATOM 315 CE LYS A 24 28.145 99.988 46.321 1.00 0.00 C ATOM 316 NZ LYS A 24 29.352 100.475 45.608 1.00 0.00 N ATOM 0 H LYS A 24 26.460 96.960 46.201 1.00 0.00 H new ATOM 0 HA LYS A 24 24.614 98.222 44.281 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.639 98.255 44.344 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.756 98.506 42.852 1.00 0.00 H new ATOM 0 HG2 LYS A 24 27.290 100.648 43.611 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.588 100.445 43.974 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.871 101.620 45.757 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.010 100.201 46.319 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.200 100.284 47.369 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.127 98.898 46.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.203 100.082 46.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.314 100.171 44.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.385 101.514 45.651 1.00 0.00 H new ATOM 330 N GLU A 25 26.637 95.681 43.676 1.00 0.00 N ATOM 331 CA GLU A 25 26.846 94.418 42.959 1.00 0.00 C ATOM 332 C GLU A 25 27.677 93.465 43.830 1.00 0.00 C ATOM 333 O GLU A 25 28.814 93.788 44.172 1.00 0.00 O ATOM 334 CB GLU A 25 27.613 94.674 41.642 1.00 0.00 C ATOM 335 CG GLU A 25 26.870 95.525 40.601 1.00 0.00 C ATOM 336 CD GLU A 25 25.954 94.721 39.670 1.00 0.00 C ATOM 337 OE1 GLU A 25 25.298 93.732 40.087 1.00 0.00 O ATOM 338 OE2 GLU A 25 25.908 95.104 38.466 1.00 0.00 O ATOM 0 H GLU A 25 27.461 95.972 44.202 1.00 0.00 H new ATOM 0 HA GLU A 25 25.874 93.977 42.738 1.00 0.00 H new ATOM 0 HB2 GLU A 25 28.557 95.165 41.881 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.859 93.712 41.192 1.00 0.00 H new ATOM 0 HG2 GLU A 25 26.274 96.275 41.120 1.00 0.00 H new ATOM 0 HG3 GLU A 25 27.602 96.062 39.997 1.00 0.00 H new ATOM 345 N GLU A 26 27.110 92.311 44.172 1.00 0.00 N ATOM 346 CA GLU A 26 27.687 91.231 44.989 1.00 0.00 C ATOM 347 C GLU A 26 27.979 91.603 46.461 1.00 0.00 C ATOM 348 O GLU A 26 27.391 91.013 47.361 1.00 0.00 O ATOM 349 CB GLU A 26 28.897 90.577 44.295 1.00 0.00 C ATOM 350 CG GLU A 26 28.482 89.830 43.020 1.00 0.00 C ATOM 351 CD GLU A 26 29.616 88.974 42.456 1.00 0.00 C ATOM 352 OE1 GLU A 26 30.049 88.028 43.158 1.00 0.00 O ATOM 353 OE2 GLU A 26 30.053 89.206 41.299 1.00 0.00 O ATOM 0 H GLU A 26 26.164 92.083 43.865 1.00 0.00 H new ATOM 0 HA GLU A 26 26.896 90.484 45.062 1.00 0.00 H new ATOM 0 HB2 GLU A 26 29.632 91.343 44.046 1.00 0.00 H new ATOM 0 HB3 GLU A 26 29.380 89.883 44.983 1.00 0.00 H new ATOM 0 HG2 GLU A 26 27.623 89.195 43.237 1.00 0.00 H new ATOM 0 HG3 GLU A 26 28.164 90.550 42.266 1.00 0.00 H new ATOM 360 N GLU A 27 28.866 92.583 46.679 1.00 0.00 N ATOM 361 CA GLU A 27 29.081 93.371 47.909 1.00 0.00 C ATOM 362 C GLU A 27 29.971 94.582 47.563 1.00 0.00 C ATOM 363 O GLU A 27 29.565 95.735 47.695 1.00 0.00 O ATOM 364 CB GLU A 27 29.795 92.531 49.003 1.00 0.00 C ATOM 365 CG GLU A 27 28.898 91.957 50.102 1.00 0.00 C ATOM 366 CD GLU A 27 28.294 93.001 51.048 1.00 0.00 C ATOM 367 OE1 GLU A 27 28.112 94.172 50.679 1.00 0.00 O ATOM 368 OE2 GLU A 27 27.998 92.635 52.216 1.00 0.00 O ATOM 0 H GLU A 27 29.507 92.872 45.940 1.00 0.00 H new ATOM 0 HA GLU A 27 28.111 93.686 48.293 1.00 0.00 H new ATOM 0 HB2 GLU A 27 30.314 91.705 48.517 1.00 0.00 H new ATOM 0 HB3 GLU A 27 30.556 93.154 49.472 1.00 0.00 H new ATOM 0 HG2 GLU A 27 28.087 91.398 49.635 1.00 0.00 H new ATOM 0 HG3 GLU A 27 29.478 91.246 50.691 1.00 0.00 H new ATOM 375 N ASP A 28 31.154 94.305 47.016 1.00 0.00 N ATOM 376 CA ASP A 28 32.218 95.279 46.719 1.00 0.00 C ATOM 377 C ASP A 28 32.924 94.988 45.384 1.00 0.00 C ATOM 378 O ASP A 28 32.749 93.924 44.786 1.00 0.00 O ATOM 379 CB ASP A 28 33.235 95.287 47.878 1.00 0.00 C ATOM 380 CG ASP A 28 34.453 94.396 47.626 1.00 0.00 C ATOM 381 OD1 ASP A 28 34.339 93.151 47.665 1.00 0.00 O ATOM 382 OD2 ASP A 28 35.533 94.971 47.318 1.00 0.00 O ATOM 0 H ASP A 28 31.414 93.354 46.754 1.00 0.00 H new ATOM 0 HA ASP A 28 31.757 96.262 46.620 1.00 0.00 H new ATOM 0 HB2 ASP A 28 33.572 96.310 48.049 1.00 0.00 H new ATOM 0 HB3 ASP A 28 32.737 94.959 48.790 1.00 0.00 H new ATOM 387 N ALA A 29 33.791 95.924 44.954 1.00 0.00 N ATOM 388 CA ALA A 29 34.763 95.708 43.870 1.00 0.00 C ATOM 389 C ALA A 29 35.973 96.657 43.998 1.00 0.00 C ATOM 390 O ALA A 29 36.345 97.320 43.013 1.00 0.00 O ATOM 391 CB ALA A 29 34.028 95.862 42.523 1.00 0.00 C ATOM 0 H ALA A 29 33.835 96.861 45.355 1.00 0.00 H new ATOM 0 HA ALA A 29 35.175 94.701 43.933 1.00 0.00 H new ATOM 0 HB1 ALA A 29 34.731 95.706 41.705 1.00 0.00 H new ATOM 0 HB2 ALA A 29 33.227 95.125 42.459 1.00 0.00 H new ATOM 0 HB3 ALA A 29 33.605 96.864 42.452 1.00 0.00 H new ATOM 397 N SER A 30 36.529 96.833 45.205 1.00 0.00 N ATOM 398 CA SER A 30 37.431 97.963 45.499 1.00 0.00 C ATOM 399 C SER A 30 38.635 97.685 46.417 1.00 0.00 C ATOM 400 O SER A 30 39.339 98.633 46.773 1.00 0.00 O ATOM 401 CB SER A 30 36.602 99.152 46.012 1.00 0.00 C ATOM 402 OG SER A 30 35.846 98.841 47.167 1.00 0.00 O ATOM 0 H SER A 30 36.372 96.209 45.996 1.00 0.00 H new ATOM 0 HA SER A 30 37.911 98.189 44.547 1.00 0.00 H new ATOM 0 HB2 SER A 30 37.270 99.984 46.235 1.00 0.00 H new ATOM 0 HB3 SER A 30 35.929 99.486 45.223 1.00 0.00 H new ATOM 0 HG SER A 30 35.341 99.632 47.450 1.00 0.00 H new ATOM 408 N GLU A 31 38.924 96.437 46.790 1.00 0.00 N ATOM 409 CA GLU A 31 40.052 96.063 47.663 1.00 0.00 C ATOM 410 C GLU A 31 40.685 94.701 47.251 1.00 0.00 C ATOM 411 O GLU A 31 40.778 94.415 46.051 1.00 0.00 O ATOM 412 CB GLU A 31 39.572 96.105 49.120 1.00 0.00 C ATOM 413 CG GLU A 31 40.687 96.247 50.167 1.00 0.00 C ATOM 414 CD GLU A 31 40.357 95.424 51.408 1.00 0.00 C ATOM 415 OE1 GLU A 31 39.563 95.889 52.268 1.00 0.00 O ATOM 416 OE2 GLU A 31 40.807 94.260 51.504 1.00 0.00 O ATOM 0 H GLU A 31 38.370 95.635 46.489 1.00 0.00 H new ATOM 0 HA GLU A 31 40.864 96.781 47.551 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.879 96.938 49.234 1.00 0.00 H new ATOM 0 HB3 GLU A 31 39.012 95.193 49.329 1.00 0.00 H new ATOM 0 HG2 GLU A 31 41.636 95.916 49.745 1.00 0.00 H new ATOM 0 HG3 GLU A 31 40.808 97.295 50.439 1.00 0.00 H new ATOM 423 N GLY A 32 41.140 93.866 48.194 1.00 0.00 N ATOM 424 CA GLY A 32 41.615 92.498 47.941 1.00 0.00 C ATOM 425 C GLY A 32 43.032 92.400 47.362 1.00 0.00 C ATOM 426 O GLY A 32 43.906 93.207 47.683 1.00 0.00 O ATOM 0 H GLY A 32 41.190 94.129 49.178 1.00 0.00 H new ATOM 0 HA2 GLY A 32 41.582 91.939 48.876 1.00 0.00 H new ATOM 0 HA3 GLY A 32 40.923 92.011 47.254 1.00 0.00 H new ATOM 430 N VAL A 33 43.259 91.379 46.528 1.00 0.00 N ATOM 431 CA VAL A 33 44.541 90.973 45.881 1.00 0.00 C ATOM 432 C VAL A 33 45.639 90.450 46.829 1.00 0.00 C ATOM 433 O VAL A 33 46.411 89.578 46.429 1.00 0.00 O ATOM 434 CB VAL A 33 45.067 92.068 44.911 1.00 0.00 C ATOM 435 CG1 VAL A 33 46.290 91.614 44.097 1.00 0.00 C ATOM 436 CG2 VAL A 33 43.982 92.456 43.899 1.00 0.00 C ATOM 0 H VAL A 33 42.498 90.756 46.257 1.00 0.00 H new ATOM 0 HA VAL A 33 44.277 90.093 45.295 1.00 0.00 H new ATOM 0 HB VAL A 33 45.349 92.908 45.547 1.00 0.00 H new ATOM 0 HG11 VAL A 33 46.610 92.422 43.439 1.00 0.00 H new ATOM 0 HG12 VAL A 33 47.103 91.355 44.775 1.00 0.00 H new ATOM 0 HG13 VAL A 33 46.026 90.742 43.499 1.00 0.00 H new ATOM 0 HG21 VAL A 33 44.368 93.224 43.228 1.00 0.00 H new ATOM 0 HG22 VAL A 33 43.695 91.579 43.319 1.00 0.00 H new ATOM 0 HG23 VAL A 33 43.111 92.842 44.429 1.00 0.00 H new ATOM 446 N THR A 34 45.664 90.879 48.105 1.00 0.00 N ATOM 447 CA THR A 34 46.530 90.337 49.170 1.00 0.00 C ATOM 448 C THR A 34 48.041 90.535 48.911 1.00 0.00 C ATOM 449 O THR A 34 48.462 91.185 47.948 1.00 0.00 O ATOM 450 CB THR A 34 46.186 88.842 49.444 1.00 0.00 C ATOM 451 OG1 THR A 34 44.837 88.510 49.158 1.00 0.00 O ATOM 452 CG2 THR A 34 46.402 88.377 50.891 1.00 0.00 C ATOM 0 H THR A 34 45.064 91.635 48.434 1.00 0.00 H new ATOM 0 HA THR A 34 46.317 90.920 50.066 1.00 0.00 H new ATOM 0 HB THR A 34 46.885 88.341 48.774 1.00 0.00 H new ATOM 0 HG1 THR A 34 44.686 87.561 49.349 1.00 0.00 H new ATOM 0 HG21 THR A 34 46.135 87.324 50.979 1.00 0.00 H new ATOM 0 HG22 THR A 34 47.449 88.509 51.163 1.00 0.00 H new ATOM 0 HG23 THR A 34 45.776 88.967 51.560 1.00 0.00 H new ATOM 460 N THR A 35 48.898 90.004 49.785 1.00 0.00 N ATOM 461 CA THR A 35 50.305 89.653 49.523 1.00 0.00 C ATOM 462 C THR A 35 50.564 88.303 50.190 1.00 0.00 C ATOM 463 O THR A 35 50.214 88.107 51.356 1.00 0.00 O ATOM 464 CB THR A 35 51.292 90.743 49.996 1.00 0.00 C ATOM 465 OG1 THR A 35 52.623 90.286 49.876 1.00 0.00 O ATOM 466 CG2 THR A 35 51.114 91.170 51.453 1.00 0.00 C ATOM 0 H THR A 35 48.621 89.795 50.744 1.00 0.00 H new ATOM 0 HA THR A 35 50.476 89.583 48.449 1.00 0.00 H new ATOM 0 HB THR A 35 51.079 91.598 49.355 1.00 0.00 H new ATOM 0 HG1 THR A 35 53.238 90.987 50.177 1.00 0.00 H new ATOM 0 HG21 THR A 35 51.848 91.938 51.699 1.00 0.00 H new ATOM 0 HG22 THR A 35 50.110 91.569 51.595 1.00 0.00 H new ATOM 0 HG23 THR A 35 51.258 90.308 52.105 1.00 0.00 H new ATOM 474 N GLY A 36 51.116 87.330 49.459 1.00 0.00 N ATOM 475 CA GLY A 36 51.242 85.958 49.962 1.00 0.00 C ATOM 476 C GLY A 36 51.821 84.952 48.961 1.00 0.00 C ATOM 477 O GLY A 36 51.178 83.934 48.703 1.00 0.00 O ATOM 0 H GLY A 36 51.483 87.467 48.517 1.00 0.00 H new ATOM 0 HA2 GLY A 36 51.874 85.969 50.850 1.00 0.00 H new ATOM 0 HA3 GLY A 36 50.258 85.610 50.276 1.00 0.00 H new ATOM 564 N THR A 43 59.361 86.532 49.238 1.00 0.00 N ATOM 565 CA THR A 43 59.410 86.022 50.612 1.00 0.00 C ATOM 566 C THR A 43 59.061 87.091 51.661 1.00 0.00 C ATOM 567 O THR A 43 59.728 88.126 51.703 1.00 0.00 O ATOM 568 CB THR A 43 60.812 85.473 50.967 1.00 0.00 C ATOM 569 OG1 THR A 43 61.454 84.886 49.856 1.00 0.00 O ATOM 570 CG2 THR A 43 60.757 84.431 52.075 1.00 0.00 C ATOM 0 HA THR A 43 58.664 85.228 50.641 1.00 0.00 H new ATOM 0 HB THR A 43 61.379 86.341 51.303 1.00 0.00 H new ATOM 0 HG1 THR A 43 61.007 85.171 49.032 1.00 0.00 H new ATOM 0 HG21 THR A 43 61.764 84.075 52.290 1.00 0.00 H new ATOM 0 HG22 THR A 43 60.331 84.877 52.973 1.00 0.00 H new ATOM 0 HG23 THR A 43 60.136 83.594 51.756 1.00 0.00 H new ATOM 578 N LYS A 44 58.085 86.832 52.527 1.00 0.00 N ATOM 579 CA LYS A 44 57.681 87.753 53.617 1.00 0.00 C ATOM 580 C LYS A 44 58.178 87.321 55.006 1.00 0.00 C ATOM 581 O LYS A 44 58.348 86.128 55.274 1.00 0.00 O ATOM 582 CB LYS A 44 56.161 88.022 53.564 1.00 0.00 C ATOM 583 CG LYS A 44 55.273 86.788 53.852 1.00 0.00 C ATOM 584 CD LYS A 44 54.202 86.560 52.768 1.00 0.00 C ATOM 585 CE LYS A 44 53.129 87.668 52.704 1.00 0.00 C ATOM 586 NZ LYS A 44 51.949 87.399 53.576 1.00 0.00 N ATOM 0 H LYS A 44 57.539 85.971 52.502 1.00 0.00 H new ATOM 0 HA LYS A 44 58.187 88.702 53.442 1.00 0.00 H new ATOM 0 HB2 LYS A 44 55.919 88.802 54.285 1.00 0.00 H new ATOM 0 HB3 LYS A 44 55.909 88.411 52.577 1.00 0.00 H new ATOM 0 HG2 LYS A 44 55.903 85.902 53.927 1.00 0.00 H new ATOM 0 HG3 LYS A 44 54.785 86.914 54.818 1.00 0.00 H new ATOM 0 HD2 LYS A 44 54.692 86.486 51.797 1.00 0.00 H new ATOM 0 HD3 LYS A 44 53.712 85.604 52.951 1.00 0.00 H new ATOM 0 HE2 LYS A 44 53.579 88.617 52.996 1.00 0.00 H new ATOM 0 HE3 LYS A 44 52.792 87.779 51.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 51.075 87.584 53.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 51.963 86.405 53.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 51.985 88.019 54.410 1.00 0.00 H new ATOM 600 N ALA A 45 58.385 88.301 55.886 1.00 0.00 N ATOM 601 CA ALA A 45 58.776 88.131 57.287 1.00 0.00 C ATOM 602 C ALA A 45 60.112 87.373 57.538 1.00 0.00 C ATOM 603 O ALA A 45 60.250 86.716 58.573 1.00 0.00 O ATOM 604 CB ALA A 45 57.592 87.581 58.079 1.00 0.00 C ATOM 0 H ALA A 45 58.280 89.283 55.629 1.00 0.00 H new ATOM 0 HA ALA A 45 59.026 89.123 57.663 1.00 0.00 H new ATOM 0 HB1 ALA A 45 57.880 87.453 59.122 1.00 0.00 H new ATOM 0 HB2 ALA A 45 56.757 88.278 58.016 1.00 0.00 H new ATOM 0 HB3 ALA A 45 57.293 86.618 57.665 1.00 0.00 H new ATOM 610 N ILE A 46 61.071 87.476 56.616 1.00 0.00 N ATOM 611 CA ILE A 46 62.434 86.936 56.776 1.00 0.00 C ATOM 612 C ILE A 46 63.441 87.989 56.235 1.00 0.00 C ATOM 613 O ILE A 46 63.626 88.065 55.022 1.00 0.00 O ATOM 614 CB ILE A 46 62.598 85.560 56.074 1.00 0.00 C ATOM 615 CG1 ILE A 46 61.514 84.542 56.512 1.00 0.00 C ATOM 616 CG2 ILE A 46 63.996 84.986 56.404 1.00 0.00 C ATOM 617 CD1 ILE A 46 61.637 83.149 55.879 1.00 0.00 C ATOM 0 H ILE A 46 60.926 87.943 55.721 1.00 0.00 H new ATOM 0 HA ILE A 46 62.632 86.752 57.832 1.00 0.00 H new ATOM 0 HB ILE A 46 62.486 85.721 55.002 1.00 0.00 H new ATOM 0 HG12 ILE A 46 61.553 84.436 57.596 1.00 0.00 H new ATOM 0 HG13 ILE A 46 60.534 84.950 56.267 1.00 0.00 H new ATOM 0 HG21 ILE A 46 64.118 84.020 55.914 1.00 0.00 H new ATOM 0 HG22 ILE A 46 64.764 85.672 56.048 1.00 0.00 H new ATOM 0 HG23 ILE A 46 64.093 84.861 57.482 1.00 0.00 H new ATOM 0 HD11 ILE A 46 60.835 82.510 56.247 1.00 0.00 H new ATOM 0 HD12 ILE A 46 61.564 83.234 54.795 1.00 0.00 H new ATOM 0 HD13 ILE A 46 62.600 82.712 56.145 1.00 0.00 H new ATOM 629 N PRO A 47 64.082 88.804 57.093 1.00 0.00 N ATOM 630 CA PRO A 47 65.036 89.843 56.690 1.00 0.00 C ATOM 631 C PRO A 47 66.411 89.263 56.312 1.00 0.00 C ATOM 632 O PRO A 47 67.443 89.584 56.915 1.00 0.00 O ATOM 633 CB PRO A 47 65.072 90.833 57.857 1.00 0.00 C ATOM 634 CG PRO A 47 64.816 89.936 59.065 1.00 0.00 C ATOM 635 CD PRO A 47 63.834 88.895 58.531 1.00 0.00 C ATOM 0 HA PRO A 47 64.728 90.350 55.775 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.033 91.342 57.927 1.00 0.00 H new ATOM 0 HB3 PRO A 47 64.309 91.605 57.757 1.00 0.00 H new ATOM 0 HG2 PRO A 47 65.735 89.474 59.424 1.00 0.00 H new ATOM 0 HG3 PRO A 47 64.394 90.496 59.899 1.00 0.00 H new ATOM 0 HD2 PRO A 47 63.987 87.930 59.015 1.00 0.00 H new ATOM 0 HD3 PRO A 47 62.804 89.192 58.731 1.00 0.00 H new ATOM 718 N ALA A 52 70.846 84.460 50.258 1.00 0.00 N ATOM 719 CA ALA A 52 69.972 84.365 49.080 1.00 0.00 C ATOM 720 C ALA A 52 69.838 85.686 48.286 1.00 0.00 C ATOM 721 O ALA A 52 68.771 86.000 47.748 1.00 0.00 O ATOM 722 CB ALA A 52 68.634 83.699 49.453 1.00 0.00 C ATOM 0 HA ALA A 52 70.460 83.707 48.362 1.00 0.00 H new ATOM 0 HB1 ALA A 52 68.000 83.637 48.569 1.00 0.00 H new ATOM 0 HB2 ALA A 52 68.821 82.696 49.836 1.00 0.00 H new ATOM 0 HB3 ALA A 52 68.133 84.292 50.218 1.00 0.00 H new ATOM 728 N ASN A 53 70.928 86.448 48.190 1.00 0.00 N ATOM 729 CA ASN A 53 71.000 87.795 47.615 1.00 0.00 C ATOM 730 C ASN A 53 70.502 87.896 46.157 1.00 0.00 C ATOM 731 O ASN A 53 70.126 88.983 45.717 1.00 0.00 O ATOM 732 CB ASN A 53 72.480 88.242 47.727 1.00 0.00 C ATOM 733 CG ASN A 53 72.753 89.598 47.094 1.00 0.00 C ATOM 734 OD1 ASN A 53 73.404 89.704 46.064 1.00 0.00 O ATOM 735 ND2 ASN A 53 72.304 90.663 47.712 1.00 0.00 N ATOM 0 H ASN A 53 71.834 86.126 48.529 1.00 0.00 H new ATOM 0 HA ASN A 53 70.326 88.448 48.170 1.00 0.00 H new ATOM 0 HB2 ASN A 53 72.762 88.278 48.779 1.00 0.00 H new ATOM 0 HB3 ASN A 53 73.114 87.494 47.252 1.00 0.00 H new ATOM 0 HD21 ASN A 53 72.497 91.591 47.335 1.00 0.00 H new ATOM 0 HD22 ASN A 53 71.762 90.564 48.570 1.00 0.00 H new ATOM 742 N LYS A 54 70.498 86.781 45.414 1.00 0.00 N ATOM 743 CA LYS A 54 70.059 86.664 44.021 1.00 0.00 C ATOM 744 C LYS A 54 68.847 85.747 43.896 1.00 0.00 C ATOM 745 O LYS A 54 67.829 86.148 43.319 1.00 0.00 O ATOM 746 CB LYS A 54 71.276 86.178 43.200 1.00 0.00 C ATOM 747 CG LYS A 54 71.083 86.262 41.688 1.00 0.00 C ATOM 748 CD LYS A 54 72.369 85.749 41.012 1.00 0.00 C ATOM 749 CE LYS A 54 72.345 85.998 39.507 1.00 0.00 C ATOM 750 NZ LYS A 54 73.616 85.565 38.884 1.00 0.00 N ATOM 0 H LYS A 54 70.819 85.889 45.791 1.00 0.00 H new ATOM 0 HA LYS A 54 69.723 87.625 43.632 1.00 0.00 H new ATOM 0 HB2 LYS A 54 72.148 86.771 43.477 1.00 0.00 H new ATOM 0 HB3 LYS A 54 71.494 85.145 43.471 1.00 0.00 H new ATOM 0 HG2 LYS A 54 70.226 85.663 41.380 1.00 0.00 H new ATOM 0 HG3 LYS A 54 70.879 87.289 41.387 1.00 0.00 H new ATOM 0 HD2 LYS A 54 73.235 86.245 41.450 1.00 0.00 H new ATOM 0 HD3 LYS A 54 72.482 84.682 41.204 1.00 0.00 H new ATOM 0 HE2 LYS A 54 71.512 85.458 39.057 1.00 0.00 H new ATOM 0 HE3 LYS A 54 72.181 87.058 39.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 73.579 85.743 37.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 74.406 86.099 39.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 73.757 84.549 39.054 1.00 0.00 H new ATOM 764 N TYR A 55 68.927 84.539 44.461 1.00 0.00 N ATOM 765 CA TYR A 55 67.795 83.585 44.484 1.00 0.00 C ATOM 766 C TYR A 55 67.922 82.496 45.562 1.00 0.00 C ATOM 767 O TYR A 55 66.912 82.019 46.071 1.00 0.00 O ATOM 768 CB TYR A 55 67.667 82.912 43.092 1.00 0.00 C ATOM 769 CG TYR A 55 66.244 82.779 42.607 1.00 0.00 C ATOM 770 CD1 TYR A 55 65.680 83.820 41.852 1.00 0.00 C ATOM 771 CD2 TYR A 55 65.483 81.621 42.883 1.00 0.00 C ATOM 772 CE1 TYR A 55 64.374 83.695 41.326 1.00 0.00 C ATOM 773 CE2 TYR A 55 64.176 81.498 42.367 1.00 0.00 C ATOM 774 CZ TYR A 55 63.631 82.521 41.567 1.00 0.00 C ATOM 775 OH TYR A 55 62.405 82.380 40.997 1.00 0.00 O ATOM 0 H TYR A 55 69.770 84.188 44.915 1.00 0.00 H new ATOM 0 HA TYR A 55 66.905 84.164 44.730 1.00 0.00 H new ATOM 0 HB2 TYR A 55 68.236 83.492 42.365 1.00 0.00 H new ATOM 0 HB3 TYR A 55 68.120 81.922 43.135 1.00 0.00 H new ATOM 0 HD1 TYR A 55 66.247 84.721 41.672 1.00 0.00 H new ATOM 0 HD2 TYR A 55 65.902 80.831 43.488 1.00 0.00 H new ATOM 0 HE1 TYR A 55 63.947 84.496 40.741 1.00 0.00 H new ATOM 0 HE2 TYR A 55 63.591 80.617 42.586 1.00 0.00 H new ATOM 0 HH TYR A 55 62.020 81.517 41.258 1.00 0.00 H new ATOM 785 N GLY A 56 69.143 82.078 45.900 1.00 0.00 N ATOM 786 CA GLY A 56 69.407 80.908 46.750 1.00 0.00 C ATOM 787 C GLY A 56 70.909 80.601 46.870 1.00 0.00 C ATOM 788 O GLY A 56 71.712 81.535 46.884 1.00 0.00 O ATOM 0 H GLY A 56 69.992 82.548 45.587 1.00 0.00 H new ATOM 0 HA2 GLY A 56 68.994 81.083 47.743 1.00 0.00 H new ATOM 0 HA3 GLY A 56 68.893 80.039 46.339 1.00 0.00 H new ATOM 792 N PRO A 57 71.321 79.319 46.951 1.00 0.00 N ATOM 793 CA PRO A 57 72.729 78.910 46.897 1.00 0.00 C ATOM 794 C PRO A 57 73.234 78.819 45.443 1.00 0.00 C ATOM 795 O PRO A 57 72.508 79.138 44.502 1.00 0.00 O ATOM 796 CB PRO A 57 72.730 77.571 47.639 1.00 0.00 C ATOM 797 CG PRO A 57 71.414 76.940 47.191 1.00 0.00 C ATOM 798 CD PRO A 57 70.467 78.134 47.070 1.00 0.00 C ATOM 0 HA PRO A 57 73.415 79.622 47.355 1.00 0.00 H new ATOM 0 HB2 PRO A 57 73.588 76.957 47.365 1.00 0.00 H new ATOM 0 HB3 PRO A 57 72.767 77.707 48.720 1.00 0.00 H new ATOM 0 HG2 PRO A 57 71.523 76.417 46.241 1.00 0.00 H new ATOM 0 HG3 PRO A 57 71.051 76.212 47.916 1.00 0.00 H new ATOM 0 HD2 PRO A 57 69.819 78.031 46.199 1.00 0.00 H new ATOM 0 HD3 PRO A 57 69.818 78.207 47.943 1.00 0.00 H new ATOM 806 N THR A 58 74.483 78.410 45.236 1.00 0.00 N ATOM 807 CA THR A 58 75.057 78.168 43.877 1.00 0.00 C ATOM 808 C THR A 58 76.224 77.152 43.868 1.00 0.00 C ATOM 809 O THR A 58 76.518 76.565 42.838 1.00 0.00 O ATOM 810 CB THR A 58 75.543 79.476 43.211 1.00 0.00 C ATOM 811 OG1 THR A 58 74.690 80.574 43.489 1.00 0.00 O ATOM 812 CG2 THR A 58 75.572 79.385 41.680 1.00 0.00 C ATOM 0 H THR A 58 75.142 78.231 45.994 1.00 0.00 H new ATOM 0 HA THR A 58 74.231 77.744 43.307 1.00 0.00 H new ATOM 0 HB THR A 58 76.541 79.622 43.624 1.00 0.00 H new ATOM 0 HG1 THR A 58 75.038 81.378 43.049 1.00 0.00 H new ATOM 0 HG21 THR A 58 75.921 80.331 41.266 1.00 0.00 H new ATOM 0 HG22 THR A 58 76.247 78.585 41.376 1.00 0.00 H new ATOM 0 HG23 THR A 58 74.569 79.174 41.309 1.00 0.00 H new ATOM 820 N ILE A 59 76.907 76.943 45.009 1.00 0.00 N ATOM 821 CA ILE A 59 78.063 76.036 45.132 1.00 0.00 C ATOM 822 C ILE A 59 78.145 75.403 46.547 1.00 0.00 C ATOM 823 O ILE A 59 79.184 74.913 46.980 1.00 0.00 O ATOM 824 CB ILE A 59 79.333 76.807 44.685 1.00 0.00 C ATOM 825 CG1 ILE A 59 80.343 75.974 43.875 1.00 0.00 C ATOM 826 CG2 ILE A 59 79.990 77.634 45.802 1.00 0.00 C ATOM 827 CD1 ILE A 59 81.008 74.786 44.586 1.00 0.00 C ATOM 0 H ILE A 59 76.667 77.407 45.885 1.00 0.00 H new ATOM 0 HA ILE A 59 77.956 75.175 44.472 1.00 0.00 H new ATOM 0 HB ILE A 59 78.947 77.536 43.973 1.00 0.00 H new ATOM 0 HG12 ILE A 59 79.834 75.595 42.989 1.00 0.00 H new ATOM 0 HG13 ILE A 59 81.130 76.643 43.528 1.00 0.00 H new ATOM 0 HG21 ILE A 59 80.871 78.142 45.409 1.00 0.00 H new ATOM 0 HG22 ILE A 59 79.280 78.373 46.173 1.00 0.00 H new ATOM 0 HG23 ILE A 59 80.286 76.974 46.617 1.00 0.00 H new ATOM 0 HD11 ILE A 59 81.694 74.289 43.900 1.00 0.00 H new ATOM 0 HD12 ILE A 59 81.560 75.144 45.455 1.00 0.00 H new ATOM 0 HD13 ILE A 59 80.243 74.080 44.908 1.00 0.00 H new ATOM 839 N GLY A 60 77.056 75.447 47.322 1.00 0.00 N ATOM 840 CA GLY A 60 77.112 75.395 48.782 1.00 0.00 C ATOM 841 C GLY A 60 77.598 76.724 49.396 1.00 0.00 C ATOM 842 O GLY A 60 77.442 77.799 48.802 1.00 0.00 O ATOM 0 H GLY A 60 76.109 75.520 46.950 1.00 0.00 H new ATOM 0 HA2 GLY A 60 76.123 75.157 49.173 1.00 0.00 H new ATOM 0 HA3 GLY A 60 77.779 74.590 49.090 1.00 0.00 H new ATOM 846 N ASP A 61 78.188 76.663 50.584 1.00 0.00 N ATOM 847 CA ASP A 61 78.573 77.851 51.382 1.00 0.00 C ATOM 848 C ASP A 61 80.015 78.326 51.097 1.00 0.00 C ATOM 849 O ASP A 61 80.919 78.174 51.915 1.00 0.00 O ATOM 850 CB ASP A 61 78.265 77.601 52.867 1.00 0.00 C ATOM 851 CG ASP A 61 76.790 77.267 53.098 1.00 0.00 C ATOM 852 OD1 ASP A 61 75.912 77.981 52.566 1.00 0.00 O ATOM 853 OD2 ASP A 61 76.532 76.248 53.770 1.00 0.00 O ATOM 0 H ASP A 61 78.422 75.780 51.038 1.00 0.00 H new ATOM 0 HA ASP A 61 77.963 78.698 51.068 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.884 76.782 53.233 1.00 0.00 H new ATOM 0 HB3 ASP A 61 78.532 78.485 53.446 1.00 0.00 H new ATOM 858 N LYS A 62 80.207 78.893 49.892 1.00 0.00 N ATOM 859 CA LYS A 62 81.465 79.504 49.421 1.00 0.00 C ATOM 860 C LYS A 62 81.168 80.554 48.340 1.00 0.00 C ATOM 861 O LYS A 62 81.338 80.304 47.147 1.00 0.00 O ATOM 862 CB LYS A 62 82.412 78.383 48.958 1.00 0.00 C ATOM 863 CG LYS A 62 83.835 78.855 48.660 1.00 0.00 C ATOM 864 CD LYS A 62 84.710 77.650 48.304 1.00 0.00 C ATOM 865 CE LYS A 62 86.081 78.046 47.752 1.00 0.00 C ATOM 866 NZ LYS A 62 86.882 76.841 47.413 1.00 0.00 N ATOM 0 H LYS A 62 79.465 78.940 49.194 1.00 0.00 H new ATOM 0 HA LYS A 62 81.969 80.042 50.224 1.00 0.00 H new ATOM 0 HB2 LYS A 62 82.450 77.612 49.728 1.00 0.00 H new ATOM 0 HB3 LYS A 62 81.999 77.919 48.062 1.00 0.00 H new ATOM 0 HG2 LYS A 62 83.828 79.568 47.836 1.00 0.00 H new ATOM 0 HG3 LYS A 62 84.246 79.373 49.526 1.00 0.00 H new ATOM 0 HD2 LYS A 62 84.847 77.033 49.192 1.00 0.00 H new ATOM 0 HD3 LYS A 62 84.191 77.037 47.567 1.00 0.00 H new ATOM 0 HE2 LYS A 62 85.955 78.666 46.864 1.00 0.00 H new ATOM 0 HE3 LYS A 62 86.614 78.647 48.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 87.808 77.133 47.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 87.019 76.264 48.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 86.380 76.282 46.694 1.00 0.00 H new ATOM 880 N ILE A 63 80.582 81.685 48.765 1.00 0.00 N ATOM 881 CA ILE A 63 80.080 82.792 47.915 1.00 0.00 C ATOM 882 C ILE A 63 80.181 84.115 48.697 1.00 0.00 C ATOM 883 O ILE A 63 80.842 85.055 48.280 1.00 0.00 O ATOM 884 CB ILE A 63 78.612 82.557 47.443 1.00 0.00 C ATOM 885 CG1 ILE A 63 78.387 81.195 46.749 1.00 0.00 C ATOM 886 CG2 ILE A 63 78.193 83.709 46.495 1.00 0.00 C ATOM 887 CD1 ILE A 63 76.948 80.898 46.316 1.00 0.00 C ATOM 0 H ILE A 63 80.435 81.867 49.758 1.00 0.00 H new ATOM 0 HA ILE A 63 80.699 82.836 47.019 1.00 0.00 H new ATOM 0 HB ILE A 63 77.992 82.542 48.339 1.00 0.00 H new ATOM 0 HG12 ILE A 63 79.029 81.146 45.869 1.00 0.00 H new ATOM 0 HG13 ILE A 63 78.713 80.405 47.426 1.00 0.00 H new ATOM 0 HG21 ILE A 63 77.167 83.551 46.161 1.00 0.00 H new ATOM 0 HG22 ILE A 63 78.260 84.659 47.025 1.00 0.00 H new ATOM 0 HG23 ILE A 63 78.857 83.729 45.631 1.00 0.00 H new ATOM 0 HD11 ILE A 63 76.906 79.918 45.841 1.00 0.00 H new ATOM 0 HD12 ILE A 63 76.296 80.906 47.190 1.00 0.00 H new ATOM 0 HD13 ILE A 63 76.616 81.658 45.609 1.00 0.00 H new ATOM 987 N LEU A 70 85.687 85.517 47.483 1.00 0.00 N ATOM 988 CA LEU A 70 85.934 86.620 46.533 1.00 0.00 C ATOM 989 C LEU A 70 84.701 87.534 46.313 1.00 0.00 C ATOM 990 O LEU A 70 84.810 88.602 45.717 1.00 0.00 O ATOM 991 CB LEU A 70 86.479 86.045 45.204 1.00 0.00 C ATOM 992 CG LEU A 70 87.801 86.704 44.748 1.00 0.00 C ATOM 993 CD1 LEU A 70 88.316 86.026 43.474 1.00 0.00 C ATOM 994 CD2 LEU A 70 87.650 88.200 44.454 1.00 0.00 C ATOM 0 HA LEU A 70 86.687 87.273 46.974 1.00 0.00 H new ATOM 0 HB2 LEU A 70 86.636 84.972 45.318 1.00 0.00 H new ATOM 0 HB3 LEU A 70 85.728 86.176 44.425 1.00 0.00 H new ATOM 0 HG LEU A 70 88.502 86.582 45.574 1.00 0.00 H new ATOM 0 HD11 LEU A 70 89.248 86.498 43.162 1.00 0.00 H new ATOM 0 HD12 LEU A 70 88.493 84.969 43.671 1.00 0.00 H new ATOM 0 HD13 LEU A 70 87.574 86.128 42.682 1.00 0.00 H new ATOM 0 HD21 LEU A 70 88.610 88.608 44.138 1.00 0.00 H new ATOM 0 HD22 LEU A 70 86.917 88.343 43.660 1.00 0.00 H new ATOM 0 HD23 LEU A 70 87.315 88.716 45.354 1.00 0.00 H new ATOM 1006 N ILE A 71 83.535 87.137 46.860 1.00 0.00 N ATOM 1007 CA ILE A 71 82.219 87.789 46.727 1.00 0.00 C ATOM 1008 C ILE A 71 81.617 87.701 45.318 1.00 0.00 C ATOM 1009 O ILE A 71 82.322 87.733 44.313 1.00 0.00 O ATOM 1010 CB ILE A 71 82.231 89.196 47.393 1.00 0.00 C ATOM 1011 CG1 ILE A 71 81.418 89.233 48.708 1.00 0.00 C ATOM 1012 CG2 ILE A 71 81.735 90.332 46.486 1.00 0.00 C ATOM 1013 CD1 ILE A 71 81.982 88.336 49.818 1.00 0.00 C ATOM 0 H ILE A 71 83.485 86.301 47.442 1.00 0.00 H new ATOM 0 HA ILE A 71 81.493 87.211 47.299 1.00 0.00 H new ATOM 0 HB ILE A 71 83.287 89.369 47.600 1.00 0.00 H new ATOM 0 HG12 ILE A 71 81.379 90.260 49.070 1.00 0.00 H new ATOM 0 HG13 ILE A 71 80.392 88.931 48.497 1.00 0.00 H new ATOM 0 HG21 ILE A 71 81.777 91.276 47.029 1.00 0.00 H new ATOM 0 HG22 ILE A 71 82.369 90.394 45.601 1.00 0.00 H new ATOM 0 HG23 ILE A 71 80.707 90.133 46.183 1.00 0.00 H new ATOM 0 HD11 ILE A 71 81.355 88.419 50.706 1.00 0.00 H new ATOM 0 HD12 ILE A 71 81.995 87.301 49.478 1.00 0.00 H new ATOM 0 HD13 ILE A 71 82.997 88.651 50.060 1.00 0.00 H new ATOM 1025 N ALA A 72 80.279 87.641 45.261 1.00 0.00 N ATOM 1026 CA ALA A 72 79.429 87.524 44.071 1.00 0.00 C ATOM 1027 C ALA A 72 79.672 86.262 43.206 1.00 0.00 C ATOM 1028 O ALA A 72 80.709 86.099 42.558 1.00 0.00 O ATOM 1029 CB ALA A 72 79.472 88.830 43.261 1.00 0.00 C ATOM 0 H ALA A 72 79.721 87.676 46.114 1.00 0.00 H new ATOM 0 HA ALA A 72 78.413 87.372 44.435 1.00 0.00 H new ATOM 0 HB1 ALA A 72 78.838 88.733 42.380 1.00 0.00 H new ATOM 0 HB2 ALA A 72 79.112 89.653 43.878 1.00 0.00 H new ATOM 0 HB3 ALA A 72 80.497 89.032 42.950 1.00 0.00 H new ATOM 1035 N GLU A 73 78.653 85.394 43.169 1.00 0.00 N ATOM 1036 CA GLU A 73 78.638 84.103 42.469 1.00 0.00 C ATOM 1037 C GLU A 73 79.949 83.293 42.529 1.00 0.00 C ATOM 1038 O GLU A 73 80.498 83.077 43.616 1.00 0.00 O ATOM 1039 CB GLU A 73 77.972 84.230 41.079 1.00 0.00 C ATOM 1040 CG GLU A 73 78.674 85.102 40.030 1.00 0.00 C ATOM 1041 CD GLU A 73 77.791 85.228 38.786 1.00 0.00 C ATOM 1042 OE1 GLU A 73 77.234 84.213 38.325 1.00 0.00 O ATOM 1043 OE2 GLU A 73 77.580 86.374 38.303 1.00 0.00 O ATOM 0 H GLU A 73 77.773 85.582 43.650 1.00 0.00 H new ATOM 0 HA GLU A 73 77.990 83.445 43.047 1.00 0.00 H new ATOM 0 HB2 GLU A 73 77.866 83.227 40.665 1.00 0.00 H new ATOM 0 HB3 GLU A 73 76.966 84.624 41.224 1.00 0.00 H new ATOM 0 HG2 GLU A 73 78.879 86.090 40.443 1.00 0.00 H new ATOM 0 HG3 GLU A 73 79.635 84.662 39.762 1.00 0.00 H new ATOM 1050 N ILE A 74 80.398 82.763 41.391 1.00 0.00 N ATOM 1051 CA ILE A 74 81.479 81.780 41.267 1.00 0.00 C ATOM 1052 C ILE A 74 82.272 81.951 39.969 1.00 0.00 C ATOM 1053 O ILE A 74 83.431 82.346 40.011 1.00 0.00 O ATOM 1054 CB ILE A 74 80.941 80.329 41.403 1.00 0.00 C ATOM 1055 CG1 ILE A 74 79.534 80.130 40.790 1.00 0.00 C ATOM 1056 CG2 ILE A 74 80.945 79.899 42.877 1.00 0.00 C ATOM 1057 CD1 ILE A 74 79.212 78.659 40.484 1.00 0.00 C ATOM 0 H ILE A 74 80.000 83.018 40.487 1.00 0.00 H new ATOM 0 HA ILE A 74 82.168 81.965 42.091 1.00 0.00 H new ATOM 0 HB ILE A 74 81.617 79.695 40.829 1.00 0.00 H new ATOM 0 HG12 ILE A 74 78.786 80.524 41.478 1.00 0.00 H new ATOM 0 HG13 ILE A 74 79.459 80.711 39.871 1.00 0.00 H new ATOM 0 HG21 ILE A 74 80.566 78.880 42.960 1.00 0.00 H new ATOM 0 HG22 ILE A 74 81.963 79.940 43.265 1.00 0.00 H new ATOM 0 HG23 ILE A 74 80.309 80.571 43.454 1.00 0.00 H new ATOM 0 HD11 ILE A 74 78.212 78.587 40.056 1.00 0.00 H new ATOM 0 HD12 ILE A 74 79.940 78.267 39.773 1.00 0.00 H new ATOM 0 HD13 ILE A 74 79.256 78.078 41.405 1.00 0.00 H new ATOM 1069 N GLU A 75 81.675 81.669 38.807 1.00 0.00 N ATOM 1070 CA GLU A 75 82.340 81.706 37.492 1.00 0.00 C ATOM 1071 C GLU A 75 81.306 81.838 36.365 1.00 0.00 C ATOM 1072 O GLU A 75 81.230 82.858 35.682 1.00 0.00 O ATOM 1073 CB GLU A 75 83.203 80.433 37.302 1.00 0.00 C ATOM 1074 CG GLU A 75 84.717 80.677 37.367 1.00 0.00 C ATOM 1075 CD GLU A 75 85.205 81.533 36.199 1.00 0.00 C ATOM 1076 OE1 GLU A 75 85.377 80.994 35.084 1.00 0.00 O ATOM 1077 OE2 GLU A 75 85.466 82.742 36.391 1.00 0.00 O ATOM 0 H GLU A 75 80.692 81.402 38.749 1.00 0.00 H new ATOM 0 HA GLU A 75 82.992 82.579 37.451 1.00 0.00 H new ATOM 0 HB2 GLU A 75 82.931 79.707 38.068 1.00 0.00 H new ATOM 0 HB3 GLU A 75 82.961 79.985 36.338 1.00 0.00 H new ATOM 0 HG2 GLU A 75 84.966 81.169 38.307 1.00 0.00 H new ATOM 0 HG3 GLU A 75 85.240 79.721 37.360 1.00 0.00 H new ATOM 1084 N LYS A 76 80.469 80.805 36.177 1.00 0.00 N ATOM 1085 CA LYS A 76 79.278 80.839 35.309 1.00 0.00 C ATOM 1086 C LYS A 76 78.111 80.080 35.928 1.00 0.00 C ATOM 1087 O LYS A 76 77.244 80.721 36.523 1.00 0.00 O ATOM 1088 CB LYS A 76 79.613 80.492 33.845 1.00 0.00 C ATOM 1089 CG LYS A 76 80.350 79.157 33.591 1.00 0.00 C ATOM 1090 CD LYS A 76 81.635 79.317 32.761 1.00 0.00 C ATOM 1091 CE LYS A 76 82.708 79.997 33.600 1.00 0.00 C ATOM 1092 NZ LYS A 76 83.935 80.313 32.851 1.00 0.00 N ATOM 0 H LYS A 76 80.603 79.903 36.634 1.00 0.00 H new ATOM 0 HA LYS A 76 78.921 81.867 35.247 1.00 0.00 H new ATOM 0 HB2 LYS A 76 78.682 80.478 33.279 1.00 0.00 H new ATOM 0 HB3 LYS A 76 80.222 81.298 33.437 1.00 0.00 H new ATOM 0 HG2 LYS A 76 80.599 78.700 34.549 1.00 0.00 H new ATOM 0 HG3 LYS A 76 79.677 78.471 33.076 1.00 0.00 H new ATOM 0 HD2 LYS A 76 81.986 78.341 32.426 1.00 0.00 H new ATOM 0 HD3 LYS A 76 81.431 79.907 31.867 1.00 0.00 H new ATOM 0 HE2 LYS A 76 82.301 80.918 34.017 1.00 0.00 H new ATOM 0 HE3 LYS A 76 82.962 79.351 34.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 84.678 80.615 33.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 84.254 79.468 32.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 83.741 81.079 32.175 1.00 0.00 H new ATOM 1106 N ASP A 77 78.153 78.753 35.930 1.00 0.00 N ATOM 1107 CA ASP A 77 77.310 77.858 36.750 1.00 0.00 C ATOM 1108 C ASP A 77 78.181 76.698 37.254 1.00 0.00 C ATOM 1109 O ASP A 77 79.259 76.465 36.701 1.00 0.00 O ATOM 1110 CB ASP A 77 76.119 77.339 35.929 1.00 0.00 C ATOM 1111 CG ASP A 77 75.150 78.457 35.541 1.00 0.00 C ATOM 1112 OD1 ASP A 77 74.532 79.043 36.450 1.00 0.00 O ATOM 1113 OD2 ASP A 77 75.044 78.750 34.323 1.00 0.00 O ATOM 0 H ASP A 77 78.802 78.237 35.336 1.00 0.00 H new ATOM 0 HA ASP A 77 76.904 78.404 37.602 1.00 0.00 H new ATOM 0 HB2 ASP A 77 76.488 76.851 35.027 1.00 0.00 H new ATOM 0 HB3 ASP A 77 75.586 76.583 36.505 1.00 0.00 H new ATOM 1118 N PHE A 78 77.769 75.988 38.323 1.00 0.00 N ATOM 1119 CA PHE A 78 78.524 74.835 38.836 1.00 0.00 C ATOM 1120 C PHE A 78 77.713 73.885 39.735 1.00 0.00 C ATOM 1121 O PHE A 78 77.939 72.678 39.674 1.00 0.00 O ATOM 1122 CB PHE A 78 79.768 75.325 39.610 1.00 0.00 C ATOM 1123 CG PHE A 78 80.897 74.319 39.705 1.00 0.00 C ATOM 1124 CD1 PHE A 78 81.756 74.135 38.606 1.00 0.00 C ATOM 1125 CD2 PHE A 78 81.128 73.595 40.886 1.00 0.00 C ATOM 1126 CE1 PHE A 78 82.839 73.235 38.683 1.00 0.00 C ATOM 1127 CE2 PHE A 78 82.198 72.686 40.973 1.00 0.00 C ATOM 1128 CZ PHE A 78 83.049 72.511 39.870 1.00 0.00 C ATOM 0 H PHE A 78 76.918 76.195 38.845 1.00 0.00 H new ATOM 0 HA PHE A 78 78.805 74.257 37.956 1.00 0.00 H new ATOM 0 HB2 PHE A 78 80.145 76.228 39.129 1.00 0.00 H new ATOM 0 HB3 PHE A 78 79.464 75.604 40.619 1.00 0.00 H new ATOM 0 HD1 PHE A 78 81.584 74.688 37.695 1.00 0.00 H new ATOM 0 HD2 PHE A 78 80.477 73.738 41.736 1.00 0.00 H new ATOM 0 HE1 PHE A 78 83.500 73.103 37.839 1.00 0.00 H new ATOM 0 HE2 PHE A 78 82.364 72.127 41.882 1.00 0.00 H new ATOM 0 HZ PHE A 78 83.872 71.814 39.934 1.00 0.00 H new ATOM 1138 N ALA A 79 76.797 74.401 40.572 1.00 0.00 N ATOM 1139 CA ALA A 79 75.919 73.623 41.476 1.00 0.00 C ATOM 1140 C ALA A 79 76.616 72.642 42.441 1.00 0.00 C ATOM 1141 O ALA A 79 75.973 71.779 43.023 1.00 0.00 O ATOM 1142 CB ALA A 79 74.803 72.972 40.634 1.00 0.00 C ATOM 0 H ALA A 79 76.638 75.406 40.644 1.00 0.00 H new ATOM 0 HA ALA A 79 75.491 74.333 42.184 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.146 72.394 41.285 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.225 73.749 40.133 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.247 72.312 39.889 1.00 0.00 H new ATOM 1148 N LEU A 80 77.937 72.769 42.628 1.00 0.00 N ATOM 1149 CA LEU A 80 78.850 71.743 43.175 1.00 0.00 C ATOM 1150 C LEU A 80 78.839 70.461 42.319 1.00 0.00 C ATOM 1151 O LEU A 80 79.815 70.180 41.611 1.00 0.00 O ATOM 1152 CB LEU A 80 78.577 71.530 44.679 1.00 0.00 C ATOM 1153 CG LEU A 80 79.789 71.090 45.508 1.00 0.00 C ATOM 1154 CD1 LEU A 80 79.363 70.783 46.940 1.00 0.00 C ATOM 1155 CD2 LEU A 80 80.515 69.859 44.963 1.00 0.00 C ATOM 0 H LEU A 80 78.427 73.632 42.391 1.00 0.00 H new ATOM 0 HA LEU A 80 79.879 72.097 43.112 1.00 0.00 H new ATOM 0 HB2 LEU A 80 78.190 72.459 45.097 1.00 0.00 H new ATOM 0 HB3 LEU A 80 77.792 70.781 44.787 1.00 0.00 H new ATOM 0 HG LEU A 80 80.483 71.929 45.459 1.00 0.00 H new ATOM 0 HD11 LEU A 80 80.232 70.471 47.519 1.00 0.00 H new ATOM 0 HD12 LEU A 80 78.928 71.676 47.390 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.624 69.982 46.936 1.00 0.00 H new ATOM 0 HD21 LEU A 80 81.358 69.618 45.610 1.00 0.00 H new ATOM 0 HD22 LEU A 80 79.827 69.014 44.934 1.00 0.00 H new ATOM 0 HD23 LEU A 80 80.878 70.067 43.956 1.00 0.00 H new ATOM 1167 N TYR A 81 77.738 69.705 42.349 1.00 0.00 N ATOM 1168 CA TYR A 81 77.397 68.634 41.411 1.00 0.00 C ATOM 1169 C TYR A 81 75.873 68.573 41.247 1.00 0.00 C ATOM 1170 O TYR A 81 75.137 68.756 42.214 1.00 0.00 O ATOM 1171 CB TYR A 81 77.932 67.279 41.892 1.00 0.00 C ATOM 1172 CG TYR A 81 79.197 66.829 41.188 1.00 0.00 C ATOM 1173 CD1 TYR A 81 79.105 66.307 39.876 1.00 0.00 C ATOM 1174 CD2 TYR A 81 80.445 66.905 41.838 1.00 0.00 C ATOM 1175 CE1 TYR A 81 80.271 65.871 39.214 1.00 0.00 C ATOM 1176 CE2 TYR A 81 81.611 66.480 41.173 1.00 0.00 C ATOM 1177 CZ TYR A 81 81.519 65.957 39.861 1.00 0.00 C ATOM 1178 OH TYR A 81 82.638 65.553 39.214 1.00 0.00 O ATOM 0 H TYR A 81 77.024 69.831 43.066 1.00 0.00 H new ATOM 0 HA TYR A 81 77.864 68.851 40.450 1.00 0.00 H new ATOM 0 HB2 TYR A 81 78.126 67.336 42.963 1.00 0.00 H new ATOM 0 HB3 TYR A 81 77.160 66.523 41.748 1.00 0.00 H new ATOM 0 HD1 TYR A 81 78.146 66.243 39.384 1.00 0.00 H new ATOM 0 HD2 TYR A 81 80.507 67.289 42.846 1.00 0.00 H new ATOM 0 HE1 TYR A 81 80.207 65.472 38.213 1.00 0.00 H new ATOM 0 HE2 TYR A 81 82.571 66.553 41.662 1.00 0.00 H new ATOM 0 HH TYR A 81 83.416 65.678 39.797 1.00 0.00 H new ATOM 1188 N GLY A 82 75.419 68.286 40.029 1.00 0.00 N ATOM 1189 CA GLY A 82 74.001 68.173 39.687 1.00 0.00 C ATOM 1190 C GLY A 82 73.667 68.486 38.227 1.00 0.00 C ATOM 1191 O GLY A 82 72.557 68.212 37.767 1.00 0.00 O ATOM 0 H GLY A 82 76.038 68.122 39.235 1.00 0.00 H new ATOM 0 HA2 GLY A 82 73.667 67.160 39.913 1.00 0.00 H new ATOM 0 HA3 GLY A 82 73.432 68.847 40.328 1.00 0.00 H new ATOM 1195 N ASP A 83 74.632 69.026 37.479 1.00 0.00 N ATOM 1196 CA ASP A 83 74.522 69.390 36.060 1.00 0.00 C ATOM 1197 C ASP A 83 75.607 68.670 35.232 1.00 0.00 C ATOM 1198 O ASP A 83 76.724 69.163 35.112 1.00 0.00 O ATOM 1199 CB ASP A 83 74.637 70.912 35.926 1.00 0.00 C ATOM 1200 CG ASP A 83 73.329 71.640 36.255 1.00 0.00 C ATOM 1201 OD1 ASP A 83 72.343 71.423 35.506 1.00 0.00 O ATOM 1202 OD2 ASP A 83 73.305 72.457 37.198 1.00 0.00 O ATOM 0 H ASP A 83 75.555 69.232 37.862 1.00 0.00 H new ATOM 0 HA ASP A 83 73.554 69.073 35.672 1.00 0.00 H new ATOM 0 HB2 ASP A 83 75.424 71.272 36.589 1.00 0.00 H new ATOM 0 HB3 ASP A 83 74.939 71.160 34.909 1.00 0.00 H new ATOM 1207 N GLU A 84 75.290 67.507 34.679 1.00 0.00 N ATOM 1208 CA GLU A 84 76.056 66.805 33.623 1.00 0.00 C ATOM 1209 C GLU A 84 75.198 65.681 33.004 1.00 0.00 C ATOM 1210 O GLU A 84 74.678 65.833 31.894 1.00 0.00 O ATOM 1211 CB GLU A 84 77.418 66.287 34.141 1.00 0.00 C ATOM 1212 CG GLU A 84 78.625 66.983 33.501 1.00 0.00 C ATOM 1213 CD GLU A 84 78.722 66.786 31.983 1.00 0.00 C ATOM 1214 OE1 GLU A 84 78.318 65.720 31.478 1.00 0.00 O ATOM 1215 OE2 GLU A 84 79.243 67.677 31.270 1.00 0.00 O ATOM 0 H GLU A 84 74.455 66.992 34.958 1.00 0.00 H new ATOM 0 HA GLU A 84 76.290 67.522 32.836 1.00 0.00 H new ATOM 0 HB2 GLU A 84 77.462 66.424 35.222 1.00 0.00 H new ATOM 0 HB3 GLU A 84 77.485 65.216 33.952 1.00 0.00 H new ATOM 0 HG2 GLU A 84 78.573 68.050 33.717 1.00 0.00 H new ATOM 0 HG3 GLU A 84 79.537 66.608 33.965 1.00 0.00 H new ATOM 1222 N SER A 85 74.993 64.559 33.707 1.00 0.00 N ATOM 1223 CA SER A 85 74.132 63.462 33.217 1.00 0.00 C ATOM 1224 C SER A 85 73.488 62.580 34.299 1.00 0.00 C ATOM 1225 O SER A 85 72.287 62.312 34.193 1.00 0.00 O ATOM 1226 CB SER A 85 74.869 62.644 32.147 1.00 0.00 C ATOM 1227 OG SER A 85 75.454 61.442 32.617 1.00 0.00 O ATOM 0 H SER A 85 75.411 64.382 34.620 1.00 0.00 H new ATOM 0 HA SER A 85 73.269 63.950 32.763 1.00 0.00 H new ATOM 0 HB2 SER A 85 74.168 62.402 31.348 1.00 0.00 H new ATOM 0 HB3 SER A 85 75.650 63.265 31.709 1.00 0.00 H new ATOM 0 HG SER A 85 75.900 60.983 31.875 1.00 0.00 H new ATOM 1233 N VAL A 86 74.231 62.135 35.321 1.00 0.00 N ATOM 1234 CA VAL A 86 73.713 61.333 36.462 1.00 0.00 C ATOM 1235 C VAL A 86 74.368 61.822 37.770 1.00 0.00 C ATOM 1236 O VAL A 86 74.265 62.997 38.089 1.00 0.00 O ATOM 1237 CB VAL A 86 73.813 59.806 36.224 1.00 0.00 C ATOM 1238 CG1 VAL A 86 72.911 59.033 37.205 1.00 0.00 C ATOM 1239 CG2 VAL A 86 73.374 59.340 34.826 1.00 0.00 C ATOM 0 H VAL A 86 75.232 62.321 35.389 1.00 0.00 H new ATOM 0 HA VAL A 86 72.640 61.499 36.555 1.00 0.00 H new ATOM 0 HB VAL A 86 74.875 59.600 36.359 1.00 0.00 H new ATOM 0 HG11 VAL A 86 73.000 57.963 37.016 1.00 0.00 H new ATOM 0 HG12 VAL A 86 73.219 59.247 38.228 1.00 0.00 H new ATOM 0 HG13 VAL A 86 71.875 59.341 37.066 1.00 0.00 H new ATOM 0 HG21 VAL A 86 73.479 58.257 34.754 1.00 0.00 H new ATOM 0 HG22 VAL A 86 72.332 59.615 34.661 1.00 0.00 H new ATOM 0 HG23 VAL A 86 73.999 59.816 34.071 1.00 0.00 H new ATOM 1249 N PHE A 87 75.048 60.952 38.534 1.00 0.00 N ATOM 1250 CA PHE A 87 75.792 61.304 39.750 1.00 0.00 C ATOM 1251 C PHE A 87 76.800 60.185 40.074 1.00 0.00 C ATOM 1252 O PHE A 87 76.501 59.001 39.861 1.00 0.00 O ATOM 1253 CB PHE A 87 74.805 61.498 40.929 1.00 0.00 C ATOM 1254 CG PHE A 87 74.984 62.818 41.674 1.00 0.00 C ATOM 1255 CD1 PHE A 87 76.053 62.967 42.576 1.00 0.00 C ATOM 1256 CD2 PHE A 87 74.095 63.882 41.455 1.00 0.00 C ATOM 1257 CE1 PHE A 87 76.217 64.175 43.279 1.00 0.00 C ATOM 1258 CE2 PHE A 87 74.250 65.081 42.168 1.00 0.00 C ATOM 1259 CZ PHE A 87 75.304 65.234 43.088 1.00 0.00 C ATOM 0 H PHE A 87 75.095 59.957 38.315 1.00 0.00 H new ATOM 0 HA PHE A 87 76.334 62.236 39.592 1.00 0.00 H new ATOM 0 HB2 PHE A 87 73.785 61.442 40.549 1.00 0.00 H new ATOM 0 HB3 PHE A 87 74.929 60.675 41.633 1.00 0.00 H new ATOM 0 HD1 PHE A 87 76.748 62.154 42.729 1.00 0.00 H new ATOM 0 HD2 PHE A 87 73.293 63.778 40.739 1.00 0.00 H new ATOM 0 HE1 PHE A 87 77.043 64.292 43.965 1.00 0.00 H new ATOM 0 HE2 PHE A 87 73.555 65.892 42.009 1.00 0.00 H new ATOM 0 HZ PHE A 87 75.413 66.154 43.643 1.00 0.00 H new ATOM 1269 N GLY A 88 77.962 60.523 40.625 1.00 0.00 N ATOM 1270 CA GLY A 88 79.012 59.549 40.990 1.00 0.00 C ATOM 1271 C GLY A 88 80.091 60.104 41.918 1.00 0.00 C ATOM 1272 O GLY A 88 80.020 61.255 42.361 1.00 0.00 O ATOM 0 H GLY A 88 78.214 61.488 40.837 1.00 0.00 H new ATOM 0 HA2 GLY A 88 78.543 58.690 41.470 1.00 0.00 H new ATOM 0 HA3 GLY A 88 79.486 59.185 40.078 1.00 0.00 H new