USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 330 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 168 SER OG : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 72:sc= 0.176 USER MOD Single : A 173 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-4.4!) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 33:sc= 0.0577 USER MOD Single : B 172 SER OG : rot 71:sc= 0.735 USER MOD Single : B 173 HIS : no HE2:sc= -0.13 K(o=-0.13,f=-2.1) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -5.363 8.277 -1.378 1.00 0.76 N ATOM 223 CA SER A 168 -4.727 7.948 -0.107 1.00 0.70 C ATOM 224 C SER A 168 -3.885 6.682 -0.230 1.00 0.57 C ATOM 225 O SER A 168 -2.766 6.615 0.280 1.00 0.51 O ATOM 226 CB SER A 168 -5.786 7.768 0.982 1.00 0.82 C ATOM 227 OG SER A 168 -5.191 7.439 2.225 1.00 1.39 O ATOM 0 HA SER A 168 -4.069 8.773 0.167 1.00 0.70 H new ATOM 0 HB2 SER A 168 -6.366 8.685 1.085 1.00 0.82 H new ATOM 0 HB3 SER A 168 -6.482 6.982 0.690 1.00 0.82 H new ATOM 0 HG SER A 168 -5.890 7.331 2.904 1.00 1.39 H new ATOM 233 N LEU A 169 -4.432 5.681 -0.911 1.00 0.58 N ATOM 234 CA LEU A 169 -3.737 4.413 -1.101 1.00 0.51 C ATOM 235 C LEU A 169 -2.444 4.611 -1.885 1.00 0.41 C ATOM 236 O LEU A 169 -1.399 4.070 -1.525 1.00 0.36 O ATOM 237 CB LEU A 169 -4.641 3.418 -1.829 1.00 0.64 C ATOM 238 CG LEU A 169 -5.997 3.179 -1.168 1.00 0.77 C ATOM 239 CD1 LEU A 169 -6.768 2.095 -1.906 1.00 1.07 C ATOM 240 CD2 LEU A 169 -5.816 2.806 0.296 1.00 0.81 C ATOM 0 H LEU A 169 -5.356 5.723 -1.341 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.486 4.015 -0.118 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -4.806 3.776 -2.845 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -4.118 2.465 -1.908 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.573 4.103 -1.219 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -7.731 1.939 -1.420 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -6.928 2.402 -2.940 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -6.198 1.166 -1.888 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -6.792 2.639 0.752 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -5.221 1.896 0.369 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -5.305 3.616 0.817 1.00 0.81 H new ATOM 252 N LEU A 170 -2.520 5.394 -2.956 1.00 0.46 N ATOM 253 CA LEU A 170 -1.355 5.658 -3.791 1.00 0.47 C ATOM 254 C LEU A 170 -0.235 6.297 -2.977 1.00 0.38 C ATOM 255 O LEU A 170 0.922 5.888 -3.067 1.00 0.39 O ATOM 256 CB LEU A 170 -1.730 6.565 -4.967 1.00 0.60 C ATOM 257 CG LEU A 170 -2.574 5.905 -6.060 1.00 0.73 C ATOM 258 CD1 LEU A 170 -3.952 5.534 -5.534 1.00 0.88 C ATOM 259 CD2 LEU A 170 -2.692 6.824 -7.267 1.00 1.12 C ATOM 0 H LEU A 170 -3.375 5.856 -3.265 1.00 0.46 H new ATOM 0 HA LEU A 170 -0.999 4.704 -4.181 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -2.275 7.426 -4.581 1.00 0.60 H new ATOM 0 HB3 LEU A 170 -0.813 6.944 -5.418 1.00 0.60 H new ATOM 0 HG LEU A 170 -2.073 4.988 -6.369 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -4.532 5.067 -6.330 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -3.849 4.836 -4.703 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -4.465 6.433 -5.191 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -3.295 6.340 -8.035 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -3.167 7.758 -6.968 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -1.699 7.033 -7.664 1.00 1.12 H new ATOM 271 N LEU A 171 -0.588 7.302 -2.182 1.00 0.36 N ATOM 272 CA LEU A 171 0.388 7.995 -1.349 1.00 0.37 C ATOM 273 C LEU A 171 1.117 7.015 -0.436 1.00 0.32 C ATOM 274 O LEU A 171 2.341 7.057 -0.318 1.00 0.35 O ATOM 275 CB LEU A 171 -0.300 9.077 -0.514 1.00 0.44 C ATOM 276 CG LEU A 171 -0.932 10.212 -1.322 1.00 0.54 C ATOM 277 CD1 LEU A 171 -1.607 11.213 -0.399 1.00 0.64 C ATOM 278 CD2 LEU A 171 0.118 10.901 -2.180 1.00 0.62 C ATOM 0 H LEU A 171 -1.541 7.654 -2.097 1.00 0.36 H new ATOM 0 HA LEU A 171 1.121 8.465 -2.005 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -1.074 8.609 0.094 1.00 0.44 H new ATOM 0 HB3 LEU A 171 0.430 9.503 0.174 1.00 0.44 H new ATOM 0 HG LEU A 171 -1.690 9.787 -1.979 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -2.051 12.013 -0.992 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -2.386 10.711 0.174 1.00 0.64 H new ATOM 0 HD13 LEU A 171 -0.869 11.634 0.283 1.00 0.64 H new ATOM 0 HD21 LEU A 171 -0.348 11.706 -2.749 1.00 0.62 H new ATOM 0 HD22 LEU A 171 0.898 11.313 -1.540 1.00 0.62 H new ATOM 0 HD23 LEU A 171 0.557 10.178 -2.868 1.00 0.62 H new ATOM 290 N SER A 172 0.358 6.132 0.204 1.00 0.28 N ATOM 291 CA SER A 172 0.937 5.139 1.104 1.00 0.29 C ATOM 292 C SER A 172 1.907 4.230 0.357 1.00 0.25 C ATOM 293 O SER A 172 3.025 3.991 0.814 1.00 0.27 O ATOM 294 CB SER A 172 -0.167 4.302 1.753 1.00 0.35 C ATOM 295 OG SER A 172 -1.074 5.122 2.470 1.00 0.42 O ATOM 0 H SER A 172 -0.657 6.083 0.117 1.00 0.28 H new ATOM 0 HA SER A 172 1.487 5.667 1.883 1.00 0.29 H new ATOM 0 HB2 SER A 172 -0.704 3.745 0.985 1.00 0.35 H new ATOM 0 HB3 SER A 172 0.277 3.569 2.427 1.00 0.35 H new ATOM 0 HG SER A 172 -1.624 5.632 1.839 1.00 0.42 H new ATOM 301 N HIS A 173 1.474 3.725 -0.794 1.00 0.23 N ATOM 302 CA HIS A 173 2.307 2.843 -1.602 1.00 0.24 C ATOM 303 C HIS A 173 3.646 3.502 -1.920 1.00 0.22 C ATOM 304 O HIS A 173 4.705 2.906 -1.722 1.00 0.24 O ATOM 305 CB HIS A 173 1.590 2.466 -2.900 1.00 0.31 C ATOM 306 CG HIS A 173 0.371 1.623 -2.687 1.00 0.37 C ATOM 307 ND1 HIS A 173 -0.906 2.058 -2.975 1.00 0.42 N ATOM 308 CD2 HIS A 173 0.239 0.359 -2.218 1.00 0.52 C ATOM 309 CE1 HIS A 173 -1.770 1.100 -2.692 1.00 0.48 C ATOM 310 NE2 HIS A 173 -1.101 0.058 -2.233 1.00 0.53 N ATOM 0 H HIS A 173 0.552 3.912 -1.187 1.00 0.23 H new ATOM 0 HA HIS A 173 2.493 1.937 -1.026 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.304 3.377 -3.426 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.284 1.929 -3.547 1.00 0.31 H new ATOM 0 HD2 HIS A 173 1.038 -0.291 -1.893 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -2.841 1.159 -2.815 1.00 0.48 H new ATOM 0 HE2 HIS A 173 -1.513 -0.827 -1.937 1.00 0.53 H new ATOM 319 N LEU A 174 3.592 4.735 -2.413 1.00 0.22 N ATOM 320 CA LEU A 174 4.802 5.474 -2.755 1.00 0.26 C ATOM 321 C LEU A 174 5.735 5.567 -1.552 1.00 0.24 C ATOM 322 O LEU A 174 6.930 5.292 -1.658 1.00 0.29 O ATOM 323 CB LEU A 174 4.447 6.879 -3.246 1.00 0.31 C ATOM 324 CG LEU A 174 3.620 6.927 -4.531 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.240 8.361 -4.866 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.388 6.296 -5.682 1.00 0.42 C ATOM 0 H LEU A 174 2.724 5.243 -2.584 1.00 0.22 H new ATOM 0 HA LEU A 174 5.314 4.937 -3.554 1.00 0.26 H new ATOM 0 HB2 LEU A 174 3.897 7.394 -2.459 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.371 7.435 -3.406 1.00 0.31 H new ATOM 0 HG LEU A 174 2.705 6.356 -4.374 1.00 0.36 H new ATOM 0 HD11 LEU A 174 2.652 8.377 -5.783 1.00 0.42 H new ATOM 0 HD12 LEU A 174 2.652 8.781 -4.050 1.00 0.42 H new ATOM 0 HD13 LEU A 174 4.144 8.954 -5.005 1.00 0.42 H new ATOM 0 HD21 LEU A 174 3.785 6.339 -6.589 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.319 6.840 -5.840 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.611 5.256 -5.444 1.00 0.42 H new ATOM 338 N LEU A 175 5.178 5.955 -0.411 1.00 0.23 N ATOM 339 CA LEU A 175 5.955 6.085 0.816 1.00 0.27 C ATOM 340 C LEU A 175 6.573 4.750 1.216 1.00 0.24 C ATOM 341 O LEU A 175 7.751 4.682 1.569 1.00 0.27 O ATOM 342 CB LEU A 175 5.072 6.612 1.948 1.00 0.32 C ATOM 343 CG LEU A 175 4.518 8.022 1.733 1.00 0.37 C ATOM 344 CD1 LEU A 175 3.635 8.434 2.901 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.654 9.016 1.545 1.00 0.46 C ATOM 0 H LEU A 175 4.190 6.185 -0.310 1.00 0.23 H new ATOM 0 HA LEU A 175 6.762 6.795 0.632 1.00 0.27 H new ATOM 0 HB2 LEU A 175 4.236 5.926 2.086 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.648 6.601 2.873 1.00 0.32 H new ATOM 0 HG LEU A 175 3.909 8.019 0.829 1.00 0.37 H new ATOM 0 HD11 LEU A 175 3.251 9.439 2.730 1.00 0.46 H new ATOM 0 HD12 LEU A 175 2.802 7.737 2.991 1.00 0.46 H new ATOM 0 HD13 LEU A 175 4.219 8.421 3.821 1.00 0.46 H new ATOM 0 HD21 LEU A 175 5.243 10.014 1.393 1.00 0.46 H new ATOM 0 HD22 LEU A 175 6.288 9.016 2.432 1.00 0.46 H new ATOM 0 HD23 LEU A 175 6.246 8.731 0.675 1.00 0.46 H new ATOM 357 N ALA A 176 5.775 3.688 1.158 1.00 0.21 N ATOM 358 CA ALA A 176 6.249 2.357 1.520 1.00 0.21 C ATOM 359 C ALA A 176 7.527 2.005 0.765 1.00 0.19 C ATOM 360 O ALA A 176 8.538 1.632 1.368 1.00 0.21 O ATOM 361 CB ALA A 176 5.169 1.321 1.243 1.00 0.21 C ATOM 0 H ALA A 176 4.799 3.723 0.864 1.00 0.21 H new ATOM 0 HA ALA A 176 6.476 2.356 2.586 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.535 0.332 1.517 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.281 1.555 1.830 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.916 1.333 0.183 1.00 0.21 H new ATOM 367 N ILE A 177 7.481 2.134 -0.557 1.00 0.18 N ATOM 368 CA ILE A 177 8.639 1.836 -1.387 1.00 0.20 C ATOM 369 C ILE A 177 9.827 2.689 -0.964 1.00 0.21 C ATOM 370 O ILE A 177 10.953 2.202 -0.869 1.00 0.23 O ATOM 371 CB ILE A 177 8.344 2.074 -2.883 1.00 0.23 C ATOM 372 CG1 ILE A 177 7.174 1.201 -3.339 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.580 1.786 -3.724 1.00 0.27 C ATOM 374 CD1 ILE A 177 6.913 1.274 -4.828 1.00 0.47 C ATOM 0 H ILE A 177 6.657 2.442 -1.073 1.00 0.18 H new ATOM 0 HA ILE A 177 8.876 0.781 -1.248 1.00 0.20 H new ATOM 0 HB ILE A 177 8.072 3.121 -3.019 1.00 0.23 H new ATOM 0 HG12 ILE A 177 7.374 0.166 -3.063 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.274 1.505 -2.805 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.353 1.959 -4.776 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.392 2.444 -3.415 1.00 0.27 H new ATOM 0 HG23 ILE A 177 9.881 0.748 -3.584 1.00 0.27 H new ATOM 0 HD11 ILE A 177 6.070 0.631 -5.082 1.00 0.47 H new ATOM 0 HD12 ILE A 177 6.682 2.302 -5.107 1.00 0.47 H new ATOM 0 HD13 ILE A 177 7.799 0.942 -5.369 1.00 0.47 H new ATOM 386 N GLY A 178 9.564 3.965 -0.706 1.00 0.20 N ATOM 387 CA GLY A 178 10.619 4.865 -0.284 1.00 0.23 C ATOM 388 C GLY A 178 11.341 4.356 0.946 1.00 0.22 C ATOM 389 O GLY A 178 12.566 4.428 1.031 1.00 0.23 O ATOM 0 H GLY A 178 8.640 4.391 -0.782 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.334 4.992 -1.097 1.00 0.23 H new ATOM 0 HA3 GLY A 178 10.195 5.847 -0.075 1.00 0.23 H new ATOM 393 N LEU A 179 10.575 3.841 1.905 1.00 0.21 N ATOM 394 CA LEU A 179 11.151 3.311 3.134 1.00 0.23 C ATOM 395 C LEU A 179 12.124 2.183 2.819 1.00 0.21 C ATOM 396 O LEU A 179 13.263 2.181 3.285 1.00 0.24 O ATOM 397 CB LEU A 179 10.051 2.799 4.068 1.00 0.27 C ATOM 398 CG LEU A 179 8.981 3.828 4.440 1.00 0.30 C ATOM 399 CD1 LEU A 179 8.029 3.254 5.478 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.626 5.107 4.954 1.00 0.36 C ATOM 0 H LEU A 179 9.558 3.780 1.853 1.00 0.21 H new ATOM 0 HA LEU A 179 11.689 4.117 3.633 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.563 1.946 3.596 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.515 2.434 4.984 1.00 0.27 H new ATOM 0 HG LEU A 179 8.408 4.069 3.545 1.00 0.30 H new ATOM 0 HD11 LEU A 179 7.275 3.999 5.731 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.542 2.367 5.074 1.00 0.36 H new ATOM 0 HD13 LEU A 179 8.588 2.984 6.374 1.00 0.36 H new ATOM 0 HD21 LEU A 179 8.850 5.827 5.214 1.00 0.36 H new ATOM 0 HD22 LEU A 179 10.224 4.883 5.838 1.00 0.36 H new ATOM 0 HD23 LEU A 179 10.267 5.528 4.179 1.00 0.36 H new ATOM 412 N GLY A 180 11.665 1.224 2.020 1.00 0.20 N ATOM 413 CA GLY A 180 12.509 0.102 1.651 1.00 0.23 C ATOM 414 C GLY A 180 13.841 0.544 1.074 1.00 0.24 C ATOM 415 O GLY A 180 14.888 -0.003 1.422 1.00 0.28 O ATOM 0 H GLY A 180 10.726 1.204 1.622 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.685 -0.520 2.528 1.00 0.23 H new ATOM 0 HA3 GLY A 180 11.987 -0.517 0.921 1.00 0.23 H new ATOM 419 N ILE A 181 13.801 1.534 0.187 1.00 0.26 N ATOM 420 CA ILE A 181 15.013 2.049 -0.440 1.00 0.32 C ATOM 421 C ILE A 181 15.957 2.647 0.597 1.00 0.33 C ATOM 422 O ILE A 181 17.140 2.311 0.641 1.00 0.34 O ATOM 423 CB ILE A 181 14.689 3.122 -1.497 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.699 2.576 -2.527 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.964 3.594 -2.181 1.00 0.52 C ATOM 426 CD1 ILE A 181 14.235 1.405 -3.320 1.00 0.90 C ATOM 0 H ILE A 181 12.942 1.995 -0.113 1.00 0.26 H new ATOM 0 HA ILE A 181 15.498 1.203 -0.927 1.00 0.32 H new ATOM 0 HB ILE A 181 14.230 3.974 -0.996 1.00 0.41 H new ATOM 0 HG12 ILE A 181 12.787 2.270 -2.015 1.00 0.47 H new ATOM 0 HG13 ILE A 181 13.426 3.376 -3.215 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.719 4.352 -2.925 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.639 4.020 -1.439 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.449 2.749 -2.670 1.00 0.52 H new ATOM 0 HD11 ILE A 181 13.479 1.070 -4.031 1.00 0.90 H new ATOM 0 HD12 ILE A 181 15.131 1.711 -3.860 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.482 0.588 -2.641 1.00 0.90 H new ATOM 438 N TYR A 182 15.424 3.535 1.427 1.00 0.35 N ATOM 439 CA TYR A 182 16.217 4.189 2.462 1.00 0.42 C ATOM 440 C TYR A 182 16.959 3.165 3.316 1.00 0.40 C ATOM 441 O TYR A 182 18.149 3.315 3.588 1.00 0.46 O ATOM 442 CB TYR A 182 15.320 5.058 3.346 1.00 0.49 C ATOM 443 CG TYR A 182 16.084 5.897 4.346 1.00 0.62 C ATOM 444 CD1 TYR A 182 16.823 6.998 3.933 1.00 1.34 C ATOM 445 CD2 TYR A 182 16.067 5.588 5.700 1.00 1.16 C ATOM 446 CE1 TYR A 182 17.524 7.769 4.842 1.00 1.44 C ATOM 447 CE2 TYR A 182 16.765 6.353 6.616 1.00 1.25 C ATOM 448 CZ TYR A 182 17.492 7.442 6.180 1.00 0.93 C ATOM 449 OH TYR A 182 18.189 8.206 7.087 1.00 1.09 O ATOM 0 H TYR A 182 14.445 3.820 1.404 1.00 0.35 H new ATOM 0 HA TYR A 182 16.956 4.822 1.971 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.726 5.716 2.711 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.621 4.416 3.882 1.00 0.49 H new ATOM 0 HD1 TYR A 182 16.851 7.256 2.885 1.00 1.34 H new ATOM 0 HD2 TYR A 182 15.499 4.736 6.043 1.00 1.16 H new ATOM 0 HE1 TYR A 182 18.093 8.623 4.505 1.00 1.44 H new ATOM 0 HE2 TYR A 182 16.741 6.100 7.666 1.00 1.25 H new ATOM 0 HH TYR A 182 18.061 7.842 7.988 1.00 1.09 H new ATOM 459 N ILE A 183 16.248 2.128 3.746 1.00 0.36 N ATOM 460 CA ILE A 183 16.843 1.082 4.570 1.00 0.42 C ATOM 461 C ILE A 183 17.952 0.344 3.823 1.00 0.41 C ATOM 462 O ILE A 183 19.019 0.081 4.379 1.00 0.46 O ATOM 463 CB ILE A 183 15.785 0.063 5.034 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.656 0.776 5.778 1.00 0.56 C ATOM 465 CG2 ILE A 183 16.421 -1.001 5.917 1.00 0.58 C ATOM 466 CD1 ILE A 183 13.524 -0.142 6.185 1.00 0.80 C ATOM 0 H ILE A 183 15.259 1.989 3.538 1.00 0.36 H new ATOM 0 HA ILE A 183 17.270 1.577 5.442 1.00 0.42 H new ATOM 0 HB ILE A 183 15.365 -0.429 4.156 1.00 0.47 H new ATOM 0 HG12 ILE A 183 15.064 1.253 6.669 1.00 0.56 H new ATOM 0 HG13 ILE A 183 14.259 1.570 5.145 1.00 0.56 H new ATOM 0 HG21 ILE A 183 15.659 -1.712 6.236 1.00 0.58 H new ATOM 0 HG22 ILE A 183 17.195 -1.525 5.356 1.00 0.58 H new ATOM 0 HG23 ILE A 183 16.865 -0.529 6.793 1.00 0.58 H new ATOM 0 HD11 ILE A 183 12.760 0.433 6.708 1.00 0.80 H new ATOM 0 HD12 ILE A 183 13.089 -0.600 5.296 1.00 0.80 H new ATOM 0 HD13 ILE A 183 13.907 -0.921 6.844 1.00 0.80 H new ATOM 478 N GLY A 184 17.691 0.009 2.563 1.00 0.39 N ATOM 479 CA GLY A 184 18.673 -0.702 1.762 1.00 0.46 C ATOM 480 C GLY A 184 19.955 0.086 1.563 1.00 0.50 C ATOM 481 O GLY A 184 21.048 -0.425 1.809 1.00 0.55 O ATOM 0 H GLY A 184 16.816 0.217 2.081 1.00 0.39 H new ATOM 0 HA2 GLY A 184 18.907 -1.652 2.242 1.00 0.46 H new ATOM 0 HA3 GLY A 184 18.241 -0.935 0.789 1.00 0.46 H new ATOM 485 N ARG A 185 19.825 1.328 1.113 1.00 0.53 N ATOM 486 CA ARG A 185 20.984 2.183 0.878 1.00 0.65 C ATOM 487 C ARG A 185 21.837 2.314 2.136 1.00 0.67 C ATOM 488 O ARG A 185 23.052 2.492 2.058 1.00 0.76 O ATOM 489 CB ARG A 185 20.539 3.571 0.416 1.00 0.76 C ATOM 490 CG ARG A 185 19.660 4.287 1.424 1.00 0.72 C ATOM 491 CD ARG A 185 19.901 5.788 1.410 1.00 0.81 C ATOM 492 NE ARG A 185 19.872 6.337 0.057 1.00 1.27 N ATOM 493 CZ ARG A 185 20.241 7.578 -0.240 1.00 1.59 C ATOM 494 NH1 ARG A 185 20.667 8.391 0.719 1.00 1.66 N ATOM 495 NH2 ARG A 185 20.187 8.008 -1.493 1.00 2.24 N ATOM 0 H ARG A 185 18.928 1.767 0.903 1.00 0.53 H new ATOM 0 HA ARG A 185 21.585 1.717 0.097 1.00 0.65 H new ATOM 0 HB2 ARG A 185 21.421 4.180 0.217 1.00 0.76 H new ATOM 0 HB3 ARG A 185 19.997 3.476 -0.525 1.00 0.76 H new ATOM 0 HG2 ARG A 185 18.612 4.084 1.203 1.00 0.72 H new ATOM 0 HG3 ARG A 185 19.857 3.896 2.422 1.00 0.72 H new ATOM 0 HD2 ARG A 185 19.143 6.282 2.017 1.00 0.81 H new ATOM 0 HD3 ARG A 185 20.866 6.004 1.868 1.00 0.81 H new ATOM 0 HE ARG A 185 19.551 5.735 -0.701 1.00 1.27 H new ATOM 0 HH11 ARG A 185 20.711 8.063 1.684 1.00 1.66 H new ATOM 0 HH12 ARG A 185 20.950 9.344 0.491 1.00 1.66 H new ATOM 0 HH21 ARG A 185 19.861 7.385 -2.232 1.00 2.24 H new ATOM 0 HH22 ARG A 185 20.471 8.962 -1.718 1.00 2.24 H new ATOM 509 N ARG A 186 21.194 2.222 3.295 1.00 0.63 N ATOM 510 CA ARG A 186 21.893 2.342 4.569 1.00 0.73 C ATOM 511 C ARG A 186 22.039 0.987 5.252 1.00 0.74 C ATOM 512 O ARG A 186 21.735 0.841 6.436 1.00 0.86 O ATOM 513 CB ARG A 186 21.154 3.316 5.490 1.00 0.81 C ATOM 514 CG ARG A 186 21.315 4.774 5.094 1.00 1.80 C ATOM 515 CD ARG A 186 20.454 5.682 5.957 1.00 2.20 C ATOM 516 NE ARG A 186 20.706 5.483 7.382 1.00 2.90 N ATOM 517 CZ ARG A 186 21.692 6.077 8.048 1.00 3.61 C ATOM 518 NH1 ARG A 186 22.536 6.880 7.415 1.00 3.86 N ATOM 519 NH2 ARG A 186 21.840 5.860 9.348 1.00 4.48 N ATOM 0 H ARG A 186 20.190 2.065 3.378 1.00 0.63 H new ATOM 0 HA ARG A 186 22.892 2.728 4.366 1.00 0.73 H new ATOM 0 HB2 ARG A 186 20.093 3.065 5.493 1.00 0.81 H new ATOM 0 HB3 ARG A 186 21.516 3.184 6.510 1.00 0.81 H new ATOM 0 HG2 ARG A 186 22.361 5.065 5.189 1.00 1.80 H new ATOM 0 HG3 ARG A 186 21.043 4.900 4.046 1.00 1.80 H new ATOM 0 HD2 ARG A 186 20.649 6.722 5.696 1.00 2.20 H new ATOM 0 HD3 ARG A 186 19.402 5.493 5.745 1.00 2.20 H new ATOM 0 HE ARG A 186 20.090 4.852 7.896 1.00 2.90 H new ATOM 0 HH11 ARG A 186 22.430 7.044 6.414 1.00 3.86 H new ATOM 0 HH12 ARG A 186 23.291 7.334 7.929 1.00 3.86 H new ATOM 0 HH21 ARG A 186 21.197 5.237 9.837 1.00 4.48 H new ATOM 0 HH22 ARG A 186 22.596 6.316 9.858 1.00 4.48 H new ATOM 533 N LEU A 187 22.504 -0.003 4.498 1.00 0.73 N ATOM 534 CA LEU A 187 22.703 -1.344 5.037 1.00 0.84 C ATOM 535 C LEU A 187 24.144 -1.532 5.499 1.00 1.03 C ATOM 536 O LEU A 187 24.395 -2.047 6.589 1.00 1.21 O ATOM 537 CB LEU A 187 22.351 -2.401 3.990 1.00 0.83 C ATOM 538 CG LEU A 187 20.854 -2.599 3.749 1.00 0.78 C ATOM 539 CD1 LEU A 187 20.624 -3.548 2.583 1.00 0.90 C ATOM 540 CD2 LEU A 187 20.180 -3.125 5.009 1.00 0.98 C ATOM 0 H LEU A 187 22.750 0.097 3.513 1.00 0.73 H new ATOM 0 HA LEU A 187 22.042 -1.463 5.896 1.00 0.84 H new ATOM 0 HB2 LEU A 187 22.822 -2.127 3.046 1.00 0.83 H new ATOM 0 HB3 LEU A 187 22.783 -3.353 4.297 1.00 0.83 H new ATOM 0 HG LEU A 187 20.412 -1.635 3.498 1.00 0.78 H new ATOM 0 HD11 LEU A 187 19.553 -3.678 2.425 1.00 0.90 H new ATOM 0 HD12 LEU A 187 21.076 -3.133 1.682 1.00 0.90 H new ATOM 0 HD13 LEU A 187 21.078 -4.514 2.805 1.00 0.90 H new ATOM 0 HD21 LEU A 187 19.115 -3.261 4.822 1.00 0.98 H new ATOM 0 HD22 LEU A 187 20.624 -4.081 5.288 1.00 0.98 H new ATOM 0 HD23 LEU A 187 20.318 -2.411 5.821 1.00 0.98 H new ATOM 789 N SER B 168 -6.274 -7.656 1.144 1.00 0.84 N ATOM 790 CA SER B 168 -5.399 -7.315 0.028 1.00 0.77 C ATOM 791 C SER B 168 -4.623 -6.032 0.310 1.00 0.60 C ATOM 792 O SER B 168 -3.428 -5.944 0.026 1.00 0.54 O ATOM 793 CB SER B 168 -6.215 -7.157 -1.256 1.00 0.90 C ATOM 794 OG SER B 168 -6.906 -8.352 -1.576 1.00 1.54 O ATOM 0 HA SER B 168 -4.684 -8.128 -0.098 1.00 0.77 H new ATOM 0 HB2 SER B 168 -6.929 -6.342 -1.138 1.00 0.90 H new ATOM 0 HB3 SER B 168 -5.554 -6.885 -2.079 1.00 0.90 H new ATOM 0 HG SER B 168 -7.159 -8.815 -0.750 1.00 1.54 H new ATOM 800 N LEU B 169 -5.308 -5.041 0.868 1.00 0.60 N ATOM 801 CA LEU B 169 -4.682 -3.761 1.183 1.00 0.52 C ATOM 802 C LEU B 169 -3.445 -3.954 2.056 1.00 0.44 C ATOM 803 O LEU B 169 -2.367 -3.448 1.741 1.00 0.37 O ATOM 804 CB LEU B 169 -5.680 -2.839 1.888 1.00 0.63 C ATOM 805 CG LEU B 169 -6.949 -2.530 1.093 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.829 -1.548 1.852 1.00 0.86 C ATOM 807 CD2 LEU B 169 -6.596 -1.981 -0.282 1.00 0.76 C ATOM 0 H LEU B 169 -6.297 -5.098 1.112 1.00 0.60 H new ATOM 0 HA LEU B 169 -4.371 -3.300 0.245 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.965 -3.295 2.836 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -5.180 -1.900 2.124 1.00 0.63 H new ATOM 0 HG LEU B 169 -7.506 -3.457 0.960 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -8.727 -1.340 1.271 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -8.110 -1.979 2.813 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -7.281 -0.620 2.017 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -7.511 -1.767 -0.834 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -6.017 -1.065 -0.170 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -6.007 -2.718 -0.828 1.00 0.76 H new ATOM 819 N LEU B 170 -3.604 -4.688 3.153 1.00 0.51 N ATOM 820 CA LEU B 170 -2.494 -4.941 4.067 1.00 0.52 C ATOM 821 C LEU B 170 -1.339 -5.621 3.341 1.00 0.44 C ATOM 822 O LEU B 170 -0.185 -5.215 3.474 1.00 0.40 O ATOM 823 CB LEU B 170 -2.949 -5.806 5.246 1.00 0.67 C ATOM 824 CG LEU B 170 -3.859 -5.107 6.261 1.00 0.80 C ATOM 825 CD1 LEU B 170 -5.244 -4.877 5.678 1.00 0.86 C ATOM 826 CD2 LEU B 170 -3.946 -5.920 7.544 1.00 0.93 C ATOM 0 H LEU B 170 -4.487 -5.117 3.430 1.00 0.51 H new ATOM 0 HA LEU B 170 -2.150 -3.980 4.449 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -3.473 -6.678 4.854 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -2.065 -6.173 5.768 1.00 0.67 H new ATOM 0 HG LEU B 170 -3.426 -4.135 6.496 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -5.872 -4.380 6.417 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -5.165 -4.251 4.789 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.689 -5.835 5.409 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -4.596 -5.410 8.255 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -4.354 -6.906 7.323 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -2.951 -6.027 7.975 1.00 0.93 H new ATOM 838 N LEU B 171 -1.657 -6.657 2.573 1.00 0.45 N ATOM 839 CA LEU B 171 -0.646 -7.394 1.825 1.00 0.45 C ATOM 840 C LEU B 171 0.122 -6.465 0.888 1.00 0.37 C ATOM 841 O LEU B 171 1.349 -6.510 0.823 1.00 0.38 O ATOM 842 CB LEU B 171 -1.296 -8.521 1.022 1.00 0.54 C ATOM 843 CG LEU B 171 -2.015 -9.582 1.856 1.00 0.65 C ATOM 844 CD1 LEU B 171 -2.682 -10.608 0.952 1.00 0.74 C ATOM 845 CD2 LEU B 171 -1.040 -10.260 2.807 1.00 0.74 C ATOM 0 H LEU B 171 -2.608 -7.006 2.452 1.00 0.45 H new ATOM 0 HA LEU B 171 0.056 -7.824 2.539 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -2.011 -8.084 0.325 1.00 0.54 H new ATOM 0 HB3 LEU B 171 -0.527 -9.011 0.425 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.788 -9.092 2.448 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -3.189 -11.356 1.562 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -3.409 -10.110 0.310 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -1.927 -11.095 0.335 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -1.567 -11.012 3.393 1.00 0.74 H new ATOM 0 HD22 LEU B 171 -0.246 -10.738 2.234 1.00 0.74 H new ATOM 0 HD23 LEU B 171 -0.608 -9.516 3.476 1.00 0.74 H new ATOM 857 N SER B 172 -0.612 -5.624 0.167 1.00 0.32 N ATOM 858 CA SER B 172 -0.003 -4.686 -0.769 1.00 0.31 C ATOM 859 C SER B 172 1.066 -3.841 -0.082 1.00 0.26 C ATOM 860 O SER B 172 2.176 -3.691 -0.594 1.00 0.30 O ATOM 861 CB SER B 172 -1.072 -3.780 -1.384 1.00 0.33 C ATOM 862 OG SER B 172 -2.040 -4.538 -2.089 1.00 0.40 O ATOM 0 H SER B 172 -1.630 -5.573 0.213 1.00 0.32 H new ATOM 0 HA SER B 172 0.474 -5.263 -1.561 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.559 -3.203 -0.598 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.602 -3.065 -2.060 1.00 0.33 H new ATOM 0 HG SER B 172 -2.593 -5.037 -1.452 1.00 0.40 H new ATOM 868 N HIS B 173 0.726 -3.288 1.079 1.00 0.22 N ATOM 869 CA HIS B 173 1.662 -2.457 1.830 1.00 0.23 C ATOM 870 C HIS B 173 2.921 -3.238 2.194 1.00 0.23 C ATOM 871 O HIS B 173 4.038 -2.794 1.926 1.00 0.25 O ATOM 872 CB HIS B 173 0.999 -1.921 3.099 1.00 0.28 C ATOM 873 CG HIS B 173 -0.087 -0.927 2.831 1.00 0.28 C ATOM 874 ND1 HIS B 173 -1.429 -1.225 2.948 1.00 0.34 N ATOM 875 CD2 HIS B 173 -0.025 0.372 2.450 1.00 0.36 C ATOM 876 CE1 HIS B 173 -2.144 -0.155 2.651 1.00 0.35 C ATOM 877 NE2 HIS B 173 -1.315 0.827 2.346 1.00 0.36 N ATOM 0 H HIS B 173 -0.187 -3.400 1.519 1.00 0.22 H new ATOM 0 HA HIS B 173 1.948 -1.619 1.194 1.00 0.23 H new ATOM 0 HB2 HIS B 173 0.585 -2.756 3.664 1.00 0.28 H new ATOM 0 HB3 HIS B 173 1.759 -1.457 3.728 1.00 0.28 H new ATOM 0 HD1 HIS B 173 -1.810 -2.131 3.221 1.00 0.34 H new ATOM 0 HD2 HIS B 173 0.873 0.943 2.263 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -3.222 -0.093 2.657 1.00 0.35 H new ATOM 886 N LEU B 174 2.733 -4.403 2.804 1.00 0.24 N ATOM 887 CA LEU B 174 3.853 -5.245 3.207 1.00 0.27 C ATOM 888 C LEU B 174 4.769 -5.539 2.023 1.00 0.23 C ATOM 889 O LEU B 174 5.987 -5.371 2.109 1.00 0.24 O ATOM 890 CB LEU B 174 3.338 -6.556 3.806 1.00 0.33 C ATOM 891 CG LEU B 174 2.439 -6.398 5.033 1.00 0.40 C ATOM 892 CD1 LEU B 174 1.946 -7.756 5.511 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.180 -5.675 6.147 1.00 0.47 C ATOM 0 H LEU B 174 1.815 -4.786 3.030 1.00 0.24 H new ATOM 0 HA LEU B 174 4.428 -4.707 3.961 1.00 0.27 H new ATOM 0 HB2 LEU B 174 2.786 -7.097 3.037 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.194 -7.174 4.078 1.00 0.33 H new ATOM 0 HG LEU B 174 1.573 -5.798 4.751 1.00 0.40 H new ATOM 0 HD11 LEU B 174 1.308 -7.624 6.385 1.00 0.48 H new ATOM 0 HD12 LEU B 174 1.377 -8.237 4.715 1.00 0.48 H new ATOM 0 HD13 LEU B 174 2.799 -8.380 5.776 1.00 0.48 H new ATOM 0 HD21 LEU B 174 2.525 -5.571 7.012 1.00 0.47 H new ATOM 0 HD22 LEU B 174 4.064 -6.248 6.428 1.00 0.47 H new ATOM 0 HD23 LEU B 174 3.483 -4.687 5.801 1.00 0.47 H new ATOM 905 N LEU B 175 4.175 -5.975 0.918 1.00 0.22 N ATOM 906 CA LEU B 175 4.934 -6.297 -0.286 1.00 0.23 C ATOM 907 C LEU B 175 5.676 -5.073 -0.815 1.00 0.21 C ATOM 908 O LEU B 175 6.857 -5.150 -1.149 1.00 0.23 O ATOM 909 CB LEU B 175 4.003 -6.848 -1.366 1.00 0.27 C ATOM 910 CG LEU B 175 3.281 -8.146 -1.000 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.375 -8.594 -2.135 1.00 0.38 C ATOM 912 CD2 LEU B 175 4.288 -9.233 -0.659 1.00 0.38 C ATOM 0 H LEU B 175 3.168 -6.114 0.830 1.00 0.22 H new ATOM 0 HA LEU B 175 5.671 -7.056 -0.025 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.257 -6.089 -1.602 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.584 -7.017 -2.273 1.00 0.27 H new ATOM 0 HG LEU B 175 2.661 -7.960 -0.123 1.00 0.32 H new ATOM 0 HD11 LEU B 175 1.871 -9.519 -1.855 1.00 0.38 H new ATOM 0 HD12 LEU B 175 1.632 -7.822 -2.334 1.00 0.38 H new ATOM 0 HD13 LEU B 175 2.971 -8.763 -3.031 1.00 0.38 H new ATOM 0 HD21 LEU B 175 3.759 -10.151 -0.401 1.00 0.38 H new ATOM 0 HD22 LEU B 175 4.932 -9.415 -1.519 1.00 0.38 H new ATOM 0 HD23 LEU B 175 4.895 -8.914 0.188 1.00 0.38 H new ATOM 924 N ALA B 176 4.979 -3.944 -0.879 1.00 0.21 N ATOM 925 CA ALA B 176 5.572 -2.708 -1.377 1.00 0.23 C ATOM 926 C ALA B 176 6.891 -2.401 -0.674 1.00 0.22 C ATOM 927 O ALA B 176 7.916 -2.178 -1.323 1.00 0.24 O ATOM 928 CB ALA B 176 4.596 -1.554 -1.201 1.00 0.26 C ATOM 0 H ALA B 176 4.004 -3.859 -0.593 1.00 0.21 H new ATOM 0 HA ALA B 176 5.784 -2.838 -2.438 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.047 -0.635 -1.576 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.682 -1.762 -1.757 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.358 -1.437 -0.144 1.00 0.26 H new ATOM 934 N ILE B 177 6.864 -2.396 0.655 1.00 0.20 N ATOM 935 CA ILE B 177 8.062 -2.121 1.437 1.00 0.21 C ATOM 936 C ILE B 177 9.162 -3.121 1.101 1.00 0.21 C ATOM 937 O ILE B 177 10.325 -2.750 0.927 1.00 0.22 O ATOM 938 CB ILE B 177 7.776 -2.168 2.951 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.585 -1.271 3.295 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.008 -1.744 3.737 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.280 -1.205 4.776 1.00 0.29 C ATOM 0 H ILE B 177 6.028 -2.579 1.210 1.00 0.20 H new ATOM 0 HA ILE B 177 8.391 -1.115 1.178 1.00 0.21 H new ATOM 0 HB ILE B 177 7.528 -3.193 3.227 1.00 0.22 H new ATOM 0 HG12 ILE B 177 6.783 -0.264 2.929 1.00 0.24 H new ATOM 0 HG13 ILE B 177 5.703 -1.635 2.767 1.00 0.24 H new ATOM 0 HG21 ILE B 177 8.790 -1.783 4.804 1.00 0.25 H new ATOM 0 HG22 ILE B 177 9.834 -2.419 3.511 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.284 -0.727 3.460 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.424 -0.551 4.942 1.00 0.29 H new ATOM 0 HD12 ILE B 177 6.050 -2.205 5.145 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.146 -0.812 5.309 1.00 0.29 H new ATOM 953 N GLY B 178 8.784 -4.393 1.005 1.00 0.21 N ATOM 954 CA GLY B 178 9.746 -5.428 0.680 1.00 0.23 C ATOM 955 C GLY B 178 10.447 -5.160 -0.635 1.00 0.23 C ATOM 956 O GLY B 178 11.664 -5.321 -0.743 1.00 0.26 O ATOM 0 H GLY B 178 7.829 -4.724 1.147 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.486 -5.498 1.477 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.239 -6.391 0.630 1.00 0.23 H new ATOM 960 N LEU B 179 9.679 -4.748 -1.638 1.00 0.21 N ATOM 961 CA LEU B 179 10.235 -4.446 -2.951 1.00 0.23 C ATOM 962 C LEU B 179 11.331 -3.396 -2.834 1.00 0.24 C ATOM 963 O LEU B 179 12.445 -3.586 -3.326 1.00 0.28 O ATOM 964 CB LEU B 179 9.141 -3.949 -3.895 1.00 0.25 C ATOM 965 CG LEU B 179 8.007 -4.939 -4.157 1.00 0.27 C ATOM 966 CD1 LEU B 179 6.987 -4.340 -5.113 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.558 -6.246 -4.709 1.00 0.33 C ATOM 0 H LEU B 179 8.670 -4.616 -1.566 1.00 0.21 H new ATOM 0 HA LEU B 179 10.663 -5.362 -3.359 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.715 -3.035 -3.482 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.599 -3.685 -4.848 1.00 0.25 H new ATOM 0 HG LEU B 179 7.507 -5.150 -3.212 1.00 0.27 H new ATOM 0 HD11 LEU B 179 6.187 -5.059 -5.288 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.570 -3.432 -4.678 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.472 -4.100 -6.059 1.00 0.34 H new ATOM 0 HD21 LEU B 179 7.737 -6.940 -4.890 1.00 0.33 H new ATOM 0 HD22 LEU B 179 9.083 -6.053 -5.645 1.00 0.33 H new ATOM 0 HD23 LEU B 179 9.250 -6.683 -3.988 1.00 0.33 H new ATOM 979 N GLY B 180 11.015 -2.291 -2.163 1.00 0.23 N ATOM 980 CA GLY B 180 11.989 -1.230 -1.996 1.00 0.27 C ATOM 981 C GLY B 180 13.308 -1.746 -1.459 1.00 0.29 C ATOM 982 O GLY B 180 14.366 -1.472 -2.025 1.00 0.34 O ATOM 0 H GLY B 180 10.106 -2.113 -1.735 1.00 0.23 H new ATOM 0 HA2 GLY B 180 12.156 -0.738 -2.954 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.591 -0.477 -1.316 1.00 0.27 H new ATOM 986 N ILE B 181 13.246 -2.500 -0.367 1.00 0.27 N ATOM 987 CA ILE B 181 14.449 -3.064 0.234 1.00 0.32 C ATOM 988 C ILE B 181 15.234 -3.875 -0.790 1.00 0.37 C ATOM 989 O ILE B 181 16.463 -3.808 -0.843 1.00 0.44 O ATOM 990 CB ILE B 181 14.107 -3.969 1.433 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.270 -3.202 2.456 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.380 -4.502 2.074 1.00 0.42 C ATOM 993 CD1 ILE B 181 12.891 -4.030 3.664 1.00 0.67 C ATOM 0 H ILE B 181 12.380 -2.734 0.118 1.00 0.27 H new ATOM 0 HA ILE B 181 15.056 -2.228 0.583 1.00 0.32 H new ATOM 0 HB ILE B 181 13.522 -4.816 1.075 1.00 0.34 H new ATOM 0 HG12 ILE B 181 13.827 -2.325 2.786 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.362 -2.840 1.974 1.00 0.32 H new ATOM 0 HG21 ILE B 181 15.122 -5.140 2.920 1.00 0.42 H new ATOM 0 HG22 ILE B 181 15.942 -5.081 1.341 1.00 0.42 H new ATOM 0 HG23 ILE B 181 15.989 -3.668 2.421 1.00 0.42 H new ATOM 0 HD11 ILE B 181 12.298 -3.424 4.349 1.00 0.67 H new ATOM 0 HD12 ILE B 181 12.307 -4.893 3.345 1.00 0.67 H new ATOM 0 HD13 ILE B 181 13.795 -4.370 4.170 1.00 0.67 H new ATOM 1005 N TYR B 182 14.514 -4.643 -1.601 1.00 0.36 N ATOM 1006 CA TYR B 182 15.136 -5.476 -2.626 1.00 0.42 C ATOM 1007 C TYR B 182 16.027 -4.646 -3.547 1.00 0.45 C ATOM 1008 O TYR B 182 17.161 -5.029 -3.834 1.00 0.51 O ATOM 1009 CB TYR B 182 14.065 -6.201 -3.444 1.00 0.46 C ATOM 1010 CG TYR B 182 14.629 -7.175 -4.455 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.080 -8.429 -4.063 1.00 1.48 C ATOM 1012 CD2 TYR B 182 14.711 -6.840 -5.802 1.00 1.20 C ATOM 1013 CE1 TYR B 182 15.595 -9.322 -4.982 1.00 1.56 C ATOM 1014 CE2 TYR B 182 15.224 -7.728 -6.727 1.00 1.25 C ATOM 1015 CZ TYR B 182 15.665 -8.968 -6.313 1.00 0.83 C ATOM 1016 OH TYR B 182 16.177 -9.854 -7.232 1.00 0.97 O ATOM 0 H TYR B 182 13.496 -4.706 -1.569 1.00 0.36 H new ATOM 0 HA TYR B 182 15.761 -6.214 -2.124 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.403 -6.738 -2.765 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.456 -5.462 -3.965 1.00 0.46 H new ATOM 0 HD1 TYR B 182 15.027 -8.710 -3.022 1.00 1.48 H new ATOM 0 HD2 TYR B 182 14.368 -5.870 -6.130 1.00 1.20 H new ATOM 0 HE1 TYR B 182 15.941 -10.293 -4.660 1.00 1.56 H new ATOM 0 HE2 TYR B 182 15.280 -7.453 -7.770 1.00 1.25 H new ATOM 0 HH TYR B 182 16.154 -9.449 -8.124 1.00 0.97 H new ATOM 1026 N ILE B 183 15.511 -3.510 -4.012 1.00 0.44 N ATOM 1027 CA ILE B 183 16.276 -2.639 -4.899 1.00 0.50 C ATOM 1028 C ILE B 183 17.527 -2.120 -4.188 1.00 0.52 C ATOM 1029 O ILE B 183 18.627 -2.162 -4.738 1.00 0.59 O ATOM 1030 CB ILE B 183 15.422 -1.447 -5.414 1.00 0.55 C ATOM 1031 CG1 ILE B 183 14.341 -1.938 -6.380 1.00 0.59 C ATOM 1032 CG2 ILE B 183 16.290 -0.397 -6.103 1.00 0.64 C ATOM 1033 CD1 ILE B 183 13.168 -2.610 -5.701 1.00 0.83 C ATOM 0 H ILE B 183 14.574 -3.174 -3.791 1.00 0.44 H new ATOM 0 HA ILE B 183 16.574 -3.233 -5.763 1.00 0.50 H new ATOM 0 HB ILE B 183 14.947 -0.986 -4.548 1.00 0.55 H new ATOM 0 HG12 ILE B 183 13.975 -1.091 -6.960 1.00 0.59 H new ATOM 0 HG13 ILE B 183 14.789 -2.638 -7.085 1.00 0.59 H new ATOM 0 HG21 ILE B 183 15.662 0.423 -6.451 1.00 0.64 H new ATOM 0 HG22 ILE B 183 17.027 -0.015 -5.397 1.00 0.64 H new ATOM 0 HG23 ILE B 183 16.801 -0.849 -6.953 1.00 0.64 H new ATOM 0 HD11 ILE B 183 12.446 -2.929 -6.453 1.00 0.83 H new ATOM 0 HD12 ILE B 183 13.519 -3.478 -5.143 1.00 0.83 H new ATOM 0 HD13 ILE B 183 12.692 -1.907 -5.017 1.00 0.83 H new ATOM 1045 N GLY B 184 17.349 -1.631 -2.966 1.00 0.50 N ATOM 1046 CA GLY B 184 18.469 -1.109 -2.205 1.00 0.57 C ATOM 1047 C GLY B 184 19.576 -2.129 -2.019 1.00 0.62 C ATOM 1048 O GLY B 184 20.745 -1.839 -2.273 1.00 0.69 O ATOM 0 H GLY B 184 16.449 -1.587 -2.488 1.00 0.50 H new ATOM 0 HA2 GLY B 184 18.870 -0.232 -2.712 1.00 0.57 H new ATOM 0 HA3 GLY B 184 18.117 -0.779 -1.228 1.00 0.57 H new ATOM 1052 N ARG B 185 19.208 -3.325 -1.573 1.00 0.62 N ATOM 1053 CA ARG B 185 20.179 -4.389 -1.347 1.00 0.72 C ATOM 1054 C ARG B 185 20.877 -4.780 -2.647 1.00 0.79 C ATOM 1055 O ARG B 185 22.031 -5.211 -2.637 1.00 0.88 O ATOM 1056 CB ARG B 185 19.495 -5.616 -0.743 1.00 0.77 C ATOM 1057 CG ARG B 185 18.572 -6.332 -1.709 1.00 0.72 C ATOM 1058 CD ARG B 185 18.241 -7.737 -1.231 1.00 1.02 C ATOM 1059 NE ARG B 185 17.581 -7.732 0.073 1.00 1.43 N ATOM 1060 CZ ARG B 185 17.352 -8.832 0.784 1.00 2.03 C ATOM 1061 NH1 ARG B 185 17.730 -10.015 0.319 1.00 2.27 N ATOM 1062 NH2 ARG B 185 16.748 -8.750 1.962 1.00 2.56 N ATOM 0 H ARG B 185 18.244 -3.582 -1.361 1.00 0.62 H new ATOM 0 HA ARG B 185 20.927 -4.014 -0.649 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.258 -6.314 -0.397 1.00 0.77 H new ATOM 0 HB3 ARG B 185 18.923 -5.309 0.133 1.00 0.77 H new ATOM 0 HG2 ARG B 185 17.651 -5.760 -1.825 1.00 0.72 H new ATOM 0 HG3 ARG B 185 19.041 -6.383 -2.692 1.00 0.72 H new ATOM 0 HD2 ARG B 185 17.596 -8.226 -1.961 1.00 1.02 H new ATOM 0 HD3 ARG B 185 19.157 -8.324 -1.171 1.00 1.02 H new ATOM 0 HE ARG B 185 17.280 -6.837 0.458 1.00 1.43 H new ATOM 0 HH11 ARG B 185 18.197 -10.082 -0.585 1.00 2.27 H new ATOM 0 HH12 ARG B 185 17.554 -10.858 0.866 1.00 2.27 H new ATOM 0 HH21 ARG B 185 16.458 -7.842 2.324 1.00 2.56 H new ATOM 0 HH22 ARG B 185 16.573 -9.595 2.506 1.00 2.56 H new