USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 333 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 172 SER OG : rot 90:sc= 1.25 USER MOD Set 1.2: B 173 HIS : no HE2:sc= -3.66! C(o=-2.4!,f=-5.8!) USER MOD Set 2.1: A 173 HIS : +bothHN:sc= -3.04! C(o=-1.6!,f=-7.1!) USER MOD Set 2.2: B 172 SER OG : rot 77:sc= 1.4 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 208 N PRO A 167 6.339 8.382 0.380 1.00 0.73 N ATOM 209 CA PRO A 167 5.418 9.020 -0.566 1.00 0.67 C ATOM 210 C PRO A 167 4.626 8.005 -1.385 1.00 0.55 C ATOM 211 O PRO A 167 3.446 8.207 -1.668 1.00 0.58 O ATOM 212 CB PRO A 167 6.343 9.827 -1.478 1.00 0.86 C ATOM 213 CG PRO A 167 7.543 10.111 -0.645 1.00 0.98 C ATOM 214 CD PRO A 167 7.705 8.929 0.271 1.00 0.91 C ATOM 0 HA PRO A 167 4.668 9.622 -0.053 1.00 0.67 H new ATOM 0 HB2 PRO A 167 6.607 9.263 -2.373 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.865 10.748 -1.811 1.00 0.86 H new ATOM 0 HG2 PRO A 167 8.427 10.245 -1.268 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.413 11.031 -0.075 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.399 8.196 -0.140 1.00 0.91 H new ATOM 0 HD3 PRO A 167 8.096 9.227 1.244 1.00 0.91 H new ATOM 222 N SER A 168 5.284 6.913 -1.759 1.00 0.55 N ATOM 223 CA SER A 168 4.645 5.870 -2.553 1.00 0.52 C ATOM 224 C SER A 168 3.748 4.986 -1.690 1.00 0.39 C ATOM 225 O SER A 168 2.577 4.776 -2.008 1.00 0.33 O ATOM 226 CB SER A 168 5.703 5.012 -3.249 1.00 0.66 C ATOM 227 OG SER A 168 6.481 5.788 -4.142 1.00 1.47 O ATOM 0 H SER A 168 6.259 6.727 -1.525 1.00 0.55 H new ATOM 0 HA SER A 168 4.023 6.357 -3.304 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.351 4.552 -2.503 1.00 0.66 H new ATOM 0 HB3 SER A 168 5.218 4.202 -3.794 1.00 0.66 H new ATOM 0 HG SER A 168 7.151 5.217 -4.573 1.00 1.47 H new ATOM 233 N LEU A 169 4.301 4.469 -0.597 1.00 0.40 N ATOM 234 CA LEU A 169 3.547 3.603 0.302 1.00 0.36 C ATOM 235 C LEU A 169 2.346 4.333 0.893 1.00 0.28 C ATOM 236 O LEU A 169 1.224 3.827 0.861 1.00 0.26 O ATOM 237 CB LEU A 169 4.446 3.087 1.429 1.00 0.47 C ATOM 238 CG LEU A 169 5.667 2.282 0.977 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.280 1.541 2.156 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.291 1.308 -0.130 1.00 0.62 C ATOM 0 H LEU A 169 5.267 4.634 -0.313 1.00 0.40 H new ATOM 0 HA LEU A 169 3.183 2.757 -0.281 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.790 3.939 2.015 1.00 0.47 H new ATOM 0 HB3 LEU A 169 3.847 2.464 2.093 1.00 0.47 H new ATOM 0 HG LEU A 169 6.408 2.976 0.581 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.147 0.973 1.818 1.00 0.73 H new ATOM 0 HD12 LEU A 169 6.590 2.259 2.916 1.00 0.73 H new ATOM 0 HD13 LEU A 169 5.543 0.859 2.580 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.174 0.746 -0.436 1.00 0.62 H new ATOM 0 HD22 LEU A 169 4.531 0.618 0.235 1.00 0.62 H new ATOM 0 HD23 LEU A 169 4.899 1.861 -0.984 1.00 0.62 H new ATOM 252 N LEU A 170 2.585 5.523 1.434 1.00 0.31 N ATOM 253 CA LEU A 170 1.518 6.314 2.037 1.00 0.33 C ATOM 254 C LEU A 170 0.343 6.475 1.076 1.00 0.26 C ATOM 255 O LEU A 170 -0.801 6.188 1.426 1.00 0.27 O ATOM 256 CB LEU A 170 2.045 7.690 2.450 1.00 0.42 C ATOM 257 CG LEU A 170 3.071 7.677 3.586 1.00 0.52 C ATOM 258 CD1 LEU A 170 3.625 9.074 3.819 1.00 0.63 C ATOM 259 CD2 LEU A 170 2.444 7.133 4.860 1.00 0.60 C ATOM 0 H LEU A 170 3.506 5.960 1.467 1.00 0.31 H new ATOM 0 HA LEU A 170 1.167 5.784 2.923 1.00 0.33 H new ATOM 0 HB2 LEU A 170 2.496 8.166 1.579 1.00 0.42 H new ATOM 0 HB3 LEU A 170 1.201 8.310 2.751 1.00 0.42 H new ATOM 0 HG LEU A 170 3.895 7.024 3.300 1.00 0.52 H new ATOM 0 HD11 LEU A 170 4.353 9.046 4.630 1.00 0.63 H new ATOM 0 HD12 LEU A 170 4.109 9.430 2.909 1.00 0.63 H new ATOM 0 HD13 LEU A 170 2.811 9.748 4.085 1.00 0.63 H new ATOM 0 HD21 LEU A 170 3.186 7.130 5.658 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.603 7.763 5.149 1.00 0.60 H new ATOM 0 HD23 LEU A 170 2.093 6.116 4.687 1.00 0.60 H new ATOM 271 N LEU A 171 0.633 6.932 -0.137 1.00 0.23 N ATOM 272 CA LEU A 171 -0.402 7.132 -1.146 1.00 0.22 C ATOM 273 C LEU A 171 -1.083 5.814 -1.508 1.00 0.18 C ATOM 274 O LEU A 171 -2.303 5.757 -1.655 1.00 0.21 O ATOM 275 CB LEU A 171 0.193 7.773 -2.402 1.00 0.26 C ATOM 276 CG LEU A 171 0.733 9.193 -2.218 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.356 9.698 -3.511 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.375 10.130 -1.759 1.00 0.40 C ATOM 0 H LEU A 171 1.575 7.171 -0.446 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.152 7.801 -0.725 1.00 0.22 H new ATOM 0 HB2 LEU A 171 1.001 7.139 -2.765 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.572 7.791 -3.178 1.00 0.26 H new ATOM 0 HG LEU A 171 1.505 9.170 -1.449 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.735 10.709 -3.362 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.177 9.042 -3.800 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.603 9.705 -4.299 1.00 0.39 H new ATOM 0 HD21 LEU A 171 0.027 11.135 -1.633 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.169 10.148 -2.505 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.778 9.779 -0.809 1.00 0.40 H new ATOM 290 N SER A 172 -0.289 4.756 -1.646 1.00 0.16 N ATOM 291 CA SER A 172 -0.821 3.446 -2.006 1.00 0.16 C ATOM 292 C SER A 172 -1.817 2.946 -0.965 1.00 0.15 C ATOM 293 O SER A 172 -2.943 2.580 -1.298 1.00 0.19 O ATOM 294 CB SER A 172 0.316 2.436 -2.163 1.00 0.19 C ATOM 295 OG SER A 172 1.195 2.815 -3.208 1.00 0.23 O ATOM 0 H SER A 172 0.722 4.780 -1.514 1.00 0.16 H new ATOM 0 HA SER A 172 -1.344 3.550 -2.956 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.870 2.359 -1.227 1.00 0.19 H new ATOM 0 HB3 SER A 172 -0.097 1.449 -2.371 1.00 0.19 H new ATOM 0 HG SER A 172 1.903 3.389 -2.848 1.00 0.23 H new ATOM 301 N HIS A 173 -1.398 2.926 0.296 1.00 0.13 N ATOM 302 CA HIS A 173 -2.264 2.469 1.376 1.00 0.17 C ATOM 303 C HIS A 173 -3.486 3.370 1.511 1.00 0.22 C ATOM 304 O HIS A 173 -4.620 2.896 1.504 1.00 0.27 O ATOM 305 CB HIS A 173 -1.493 2.432 2.699 1.00 0.20 C ATOM 306 CG HIS A 173 -0.342 1.473 2.695 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.970 1.874 2.557 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.309 0.124 2.820 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.759 0.815 2.597 1.00 0.29 C ATOM 310 NE2 HIS A 173 1.008 -0.258 2.756 1.00 0.27 N ATOM 0 H HIS A 173 -0.468 3.220 0.594 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.602 1.462 1.134 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.121 3.432 2.921 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.178 2.161 3.502 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.283 2.838 2.442 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.160 -0.529 2.946 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.836 0.826 2.514 1.00 0.29 H new ATOM 0 HE2 HIS A 173 1.351 -1.217 2.821 1.00 0.27 H new ATOM 319 N LEU A 174 -3.250 4.674 1.624 1.00 0.23 N ATOM 320 CA LEU A 174 -4.339 5.632 1.760 1.00 0.29 C ATOM 321 C LEU A 174 -5.295 5.528 0.578 1.00 0.29 C ATOM 322 O LEU A 174 -6.504 5.377 0.756 1.00 0.34 O ATOM 323 CB LEU A 174 -3.786 7.055 1.864 1.00 0.32 C ATOM 324 CG LEU A 174 -2.935 7.327 3.104 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.381 8.742 3.072 1.00 0.41 C ATOM 326 CD2 LEU A 174 -3.749 7.101 4.369 1.00 0.47 C ATOM 0 H LEU A 174 -2.318 5.089 1.624 1.00 0.23 H new ATOM 0 HA LEU A 174 -4.888 5.400 2.673 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.186 7.262 0.978 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.621 7.755 1.854 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.097 6.630 3.105 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -1.778 8.917 3.963 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -1.762 8.870 2.184 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.205 9.455 3.046 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.127 7.299 5.242 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -4.607 7.773 4.374 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.097 6.068 4.398 1.00 0.47 H new ATOM 338 N LEU A 175 -4.746 5.612 -0.630 1.00 0.26 N ATOM 339 CA LEU A 175 -5.551 5.518 -1.841 1.00 0.28 C ATOM 340 C LEU A 175 -6.220 4.151 -1.942 1.00 0.27 C ATOM 341 O LEU A 175 -7.406 4.052 -2.253 1.00 0.29 O ATOM 342 CB LEU A 175 -4.690 5.771 -3.079 1.00 0.30 C ATOM 343 CG LEU A 175 -4.149 7.196 -3.213 1.00 0.33 C ATOM 344 CD1 LEU A 175 -3.293 7.326 -4.464 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.293 8.199 -3.241 1.00 0.41 C ATOM 0 H LEU A 175 -3.748 5.745 -0.795 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.327 6.282 -1.790 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.848 5.079 -3.064 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.279 5.538 -3.966 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.524 7.411 -2.346 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.917 8.346 -4.543 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.454 6.633 -4.404 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.895 7.092 -5.342 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.890 9.207 -3.337 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.943 7.986 -4.090 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.866 8.123 -2.317 1.00 0.41 H new ATOM 357 N ALA A 176 -5.453 3.099 -1.670 1.00 0.26 N ATOM 358 CA ALA A 176 -5.973 1.739 -1.738 1.00 0.27 C ATOM 359 C ALA A 176 -7.259 1.606 -0.928 1.00 0.26 C ATOM 360 O ALA A 176 -8.279 1.134 -1.435 1.00 0.27 O ATOM 361 CB ALA A 176 -4.930 0.749 -1.245 1.00 0.27 C ATOM 0 H ALA A 176 -4.471 3.163 -1.401 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.204 1.514 -2.779 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.333 -0.262 -1.302 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.038 0.820 -1.868 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.670 0.979 -0.212 1.00 0.27 H new ATOM 367 N ILE A 177 -7.207 2.027 0.331 1.00 0.27 N ATOM 368 CA ILE A 177 -8.372 1.962 1.203 1.00 0.28 C ATOM 369 C ILE A 177 -9.513 2.794 0.631 1.00 0.26 C ATOM 370 O ILE A 177 -10.662 2.351 0.597 1.00 0.26 O ATOM 371 CB ILE A 177 -8.042 2.456 2.626 1.00 0.31 C ATOM 372 CG1 ILE A 177 -6.925 1.609 3.234 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.282 2.413 3.508 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.532 2.042 4.630 1.00 0.62 C ATOM 0 H ILE A 177 -6.372 2.416 0.769 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.676 0.917 1.262 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.701 3.490 2.564 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.244 0.567 3.261 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.049 1.658 2.587 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.029 2.765 4.508 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.054 3.054 3.082 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.652 1.389 3.566 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -5.735 1.398 5.000 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.183 3.074 4.606 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.395 1.966 5.291 1.00 0.62 H new ATOM 386 N GLY A 178 -9.188 4.000 0.178 1.00 0.26 N ATOM 387 CA GLY A 178 -10.195 4.870 -0.395 1.00 0.27 C ATOM 388 C GLY A 178 -10.986 4.180 -1.486 1.00 0.26 C ATOM 389 O GLY A 178 -12.217 4.208 -1.483 1.00 0.28 O ATOM 0 H GLY A 178 -8.245 4.389 0.198 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.874 5.204 0.389 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.716 5.760 -0.802 1.00 0.27 H new ATOM 393 N LEU A 179 -10.277 3.556 -2.421 1.00 0.25 N ATOM 394 CA LEU A 179 -10.922 2.848 -3.516 1.00 0.27 C ATOM 395 C LEU A 179 -11.894 1.811 -2.972 1.00 0.26 C ATOM 396 O LEU A 179 -13.049 1.745 -3.391 1.00 0.28 O ATOM 397 CB LEU A 179 -9.878 2.168 -4.405 1.00 0.33 C ATOM 398 CG LEU A 179 -8.822 3.103 -4.995 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.952 2.365 -6.001 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.484 4.311 -5.641 1.00 0.43 C ATOM 0 H LEU A 179 -9.258 3.527 -2.441 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.474 3.572 -4.116 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.374 1.397 -3.822 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.393 1.664 -5.223 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.182 3.453 -4.185 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.207 3.049 -6.409 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.449 1.534 -5.507 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.575 1.983 -6.810 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.719 4.967 -6.056 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -10.149 3.979 -6.438 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -10.060 4.854 -4.892 1.00 0.43 H new ATOM 412 N GLY A 180 -11.422 1.009 -2.025 1.00 0.25 N ATOM 413 CA GLY A 180 -12.264 -0.015 -1.441 1.00 0.27 C ATOM 414 C GLY A 180 -13.588 0.535 -0.950 1.00 0.26 C ATOM 415 O GLY A 180 -14.643 -0.046 -1.208 1.00 0.29 O ATOM 0 H GLY A 180 -10.473 1.050 -1.652 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.449 -0.794 -2.180 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -11.738 -0.483 -0.609 1.00 0.27 H new ATOM 419 N ILE A 181 -13.533 1.655 -0.239 1.00 0.28 N ATOM 420 CA ILE A 181 -14.738 2.285 0.288 1.00 0.34 C ATOM 421 C ILE A 181 -15.667 2.728 -0.839 1.00 0.32 C ATOM 422 O ILE A 181 -16.867 2.454 -0.810 1.00 0.36 O ATOM 423 CB ILE A 181 -14.396 3.507 1.164 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.372 3.125 2.234 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.656 4.066 1.805 1.00 0.49 C ATOM 426 CD1 ILE A 181 -13.835 2.008 3.144 1.00 0.89 C ATOM 0 H ILE A 181 -12.667 2.146 -0.014 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.243 1.537 0.899 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.960 4.279 0.531 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.445 2.824 1.747 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.145 4.004 2.838 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.399 4.928 2.421 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.356 4.371 1.027 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.118 3.300 2.428 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.058 1.791 3.877 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -14.746 2.313 3.659 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.035 1.115 2.552 1.00 0.89 H new ATOM 438 N TYR A 182 -15.103 3.412 -1.830 1.00 0.31 N ATOM 439 CA TYR A 182 -15.877 3.901 -2.966 1.00 0.35 C ATOM 440 C TYR A 182 -16.500 2.747 -3.749 1.00 0.36 C ATOM 441 O TYR A 182 -17.704 2.736 -4.001 1.00 0.42 O ATOM 442 CB TYR A 182 -14.990 4.738 -3.891 1.00 0.39 C ATOM 443 CG TYR A 182 -15.752 5.447 -4.987 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.301 6.706 -4.774 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.923 4.860 -6.235 1.00 1.43 C ATOM 446 CE1 TYR A 182 -16.997 7.360 -5.774 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.618 5.507 -7.239 1.00 1.56 C ATOM 448 CZ TYR A 182 -17.153 6.756 -7.003 1.00 0.81 C ATOM 449 OH TYR A 182 -17.845 7.404 -8.001 1.00 0.98 O ATOM 0 H TYR A 182 -14.110 3.641 -1.869 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.682 4.525 -2.578 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.456 5.478 -3.295 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.239 4.090 -4.343 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.182 7.181 -3.812 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -15.506 3.882 -6.423 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -17.416 8.339 -5.593 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -16.742 5.037 -8.203 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.863 6.843 -8.804 1.00 0.98 H new ATOM 459 N ILE A 183 -15.673 1.780 -4.129 1.00 0.35 N ATOM 460 CA ILE A 183 -16.146 0.625 -4.885 1.00 0.43 C ATOM 461 C ILE A 183 -17.342 -0.029 -4.194 1.00 0.45 C ATOM 462 O ILE A 183 -18.375 -0.266 -4.819 1.00 0.55 O ATOM 463 CB ILE A 183 -15.023 -0.421 -5.073 1.00 0.48 C ATOM 464 CG1 ILE A 183 -13.863 0.185 -5.867 1.00 0.54 C ATOM 465 CG2 ILE A 183 -15.552 -1.664 -5.778 1.00 0.56 C ATOM 466 CD1 ILE A 183 -12.650 -0.717 -5.948 1.00 0.83 C ATOM 0 H ILE A 183 -14.673 1.772 -3.927 1.00 0.35 H new ATOM 0 HA ILE A 183 -16.456 0.987 -5.866 1.00 0.43 H new ATOM 0 HB ILE A 183 -14.661 -0.715 -4.088 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -14.204 0.413 -6.877 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -13.573 1.130 -5.407 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -14.744 -2.385 -5.899 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -16.349 -2.109 -5.182 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -15.942 -1.388 -6.758 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -11.868 -0.224 -6.525 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -12.283 -0.925 -4.943 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -12.924 -1.653 -6.435 1.00 0.83 H new ATOM 478 N GLY A 184 -17.195 -0.319 -2.905 1.00 0.40 N ATOM 479 CA GLY A 184 -18.276 -0.940 -2.162 1.00 0.46 C ATOM 480 C GLY A 184 -19.565 -0.147 -2.250 1.00 0.52 C ATOM 481 O GLY A 184 -20.615 -0.690 -2.593 1.00 0.64 O ATOM 0 H GLY A 184 -16.350 -0.136 -2.364 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -18.445 -1.947 -2.544 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -17.984 -1.040 -1.117 1.00 0.46 H new ATOM 485 N ARG A 185 -19.488 1.141 -1.932 1.00 0.48 N ATOM 486 CA ARG A 185 -20.658 2.011 -1.985 1.00 0.59 C ATOM 487 C ARG A 185 -21.189 2.115 -3.411 1.00 0.67 C ATOM 488 O ARG A 185 -22.397 2.085 -3.640 1.00 0.83 O ATOM 489 CB ARG A 185 -20.310 3.401 -1.447 1.00 0.59 C ATOM 490 CG ARG A 185 -19.216 4.100 -2.226 1.00 0.51 C ATOM 491 CD ARG A 185 -19.064 5.553 -1.805 1.00 0.85 C ATOM 492 NE ARG A 185 -18.672 5.678 -0.404 1.00 1.32 N ATOM 493 CZ ARG A 185 -18.329 6.830 0.163 1.00 1.98 C ATOM 494 NH1 ARG A 185 -18.330 7.948 -0.547 1.00 2.27 N ATOM 495 NH2 ARG A 185 -17.985 6.863 1.444 1.00 2.54 N ATOM 0 H ARG A 185 -18.630 1.605 -1.635 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.437 1.576 -1.359 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -21.206 4.021 -1.461 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -20.001 3.311 -0.406 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.272 3.577 -2.075 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -19.441 4.052 -3.291 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -18.318 6.037 -2.435 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.006 6.078 -1.966 1.00 0.85 H new ATOM 0 HE ARG A 185 -18.661 4.835 0.171 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -18.595 7.926 -1.532 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -18.066 8.831 -0.109 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -17.984 6.004 1.994 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -17.722 7.747 1.879 1.00 2.54 H new ATOM 509 N ARG A 186 -20.273 2.237 -4.365 1.00 0.63 N ATOM 510 CA ARG A 186 -20.637 2.345 -5.772 1.00 0.74 C ATOM 511 C ARG A 186 -21.318 1.068 -6.267 1.00 0.85 C ATOM 512 O ARG A 186 -21.931 1.056 -7.335 1.00 1.06 O ATOM 513 CB ARG A 186 -19.389 2.627 -6.613 1.00 0.80 C ATOM 514 CG ARG A 186 -19.626 3.597 -7.758 1.00 1.24 C ATOM 515 CD ARG A 186 -20.672 3.075 -8.729 1.00 1.58 C ATOM 516 NE ARG A 186 -20.815 3.942 -9.896 1.00 2.38 N ATOM 517 CZ ARG A 186 -21.485 3.598 -10.991 1.00 2.95 C ATOM 518 NH1 ARG A 186 -22.059 2.404 -11.071 1.00 2.93 N ATOM 519 NH2 ARG A 186 -21.580 4.444 -12.007 1.00 3.95 N ATOM 0 H ARG A 186 -19.269 2.264 -4.188 1.00 0.63 H new ATOM 0 HA ARG A 186 -21.342 3.170 -5.877 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -18.609 3.028 -5.965 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -19.015 1.686 -7.018 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.948 4.559 -7.359 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -18.690 3.769 -8.289 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -20.397 2.072 -9.054 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -21.632 2.992 -8.219 1.00 1.58 H new ATOM 0 HE ARG A 186 -20.376 4.862 -9.869 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -21.986 1.750 -10.292 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -22.573 2.141 -11.912 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -21.138 5.362 -11.950 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -22.095 4.177 -12.846 1.00 3.95 H new ATOM 775 N PRO B 167 6.507 -8.390 -2.363 1.00 0.73 N ATOM 776 CA PRO B 167 5.390 -9.030 -1.660 1.00 0.63 C ATOM 777 C PRO B 167 4.591 -8.041 -0.818 1.00 0.56 C ATOM 778 O PRO B 167 3.373 -7.932 -0.959 1.00 0.69 O ATOM 779 CB PRO B 167 6.076 -10.061 -0.761 1.00 0.87 C ATOM 780 CG PRO B 167 7.361 -10.367 -1.448 1.00 1.07 C ATOM 781 CD PRO B 167 7.783 -9.093 -2.125 1.00 0.96 C ATOM 0 HA PRO B 167 4.669 -9.462 -2.354 1.00 0.63 H new ATOM 0 HB2 PRO B 167 6.247 -9.663 0.239 1.00 0.87 H new ATOM 0 HB3 PRO B 167 5.465 -10.956 -0.647 1.00 0.87 H new ATOM 0 HG2 PRO B 167 8.116 -10.698 -0.735 1.00 1.07 H new ATOM 0 HG3 PRO B 167 7.234 -11.171 -2.173 1.00 1.07 H new ATOM 0 HD2 PRO B 167 8.453 -8.507 -1.496 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.313 -9.290 -3.057 1.00 0.96 H new ATOM 789 N SER B 168 5.286 -7.322 0.056 1.00 0.55 N ATOM 790 CA SER B 168 4.642 -6.344 0.925 1.00 0.55 C ATOM 791 C SER B 168 3.830 -5.341 0.112 1.00 0.44 C ATOM 792 O SER B 168 2.719 -4.973 0.494 1.00 0.41 O ATOM 793 CB SER B 168 5.688 -5.611 1.765 1.00 0.72 C ATOM 794 OG SER B 168 6.642 -4.963 0.940 1.00 1.59 O ATOM 0 H SER B 168 6.295 -7.398 0.182 1.00 0.55 H new ATOM 0 HA SER B 168 3.962 -6.878 1.589 1.00 0.55 H new ATOM 0 HB2 SER B 168 5.197 -4.877 2.404 1.00 0.72 H new ATOM 0 HB3 SER B 168 6.192 -6.319 2.422 1.00 0.72 H new ATOM 0 HG SER B 168 7.299 -4.500 1.501 1.00 1.59 H new ATOM 800 N LEU B 169 4.391 -4.899 -1.009 1.00 0.46 N ATOM 801 CA LEU B 169 3.714 -3.932 -1.867 1.00 0.45 C ATOM 802 C LEU B 169 2.390 -4.488 -2.385 1.00 0.33 C ATOM 803 O LEU B 169 1.346 -3.851 -2.244 1.00 0.31 O ATOM 804 CB LEU B 169 4.616 -3.541 -3.040 1.00 0.60 C ATOM 805 CG LEU B 169 5.966 -2.936 -2.646 1.00 0.77 C ATOM 806 CD1 LEU B 169 6.722 -2.467 -3.879 1.00 1.09 C ATOM 807 CD2 LEU B 169 5.770 -1.788 -1.665 1.00 0.77 C ATOM 0 H LEU B 169 5.308 -5.193 -1.344 1.00 0.46 H new ATOM 0 HA LEU B 169 3.500 -3.045 -1.271 1.00 0.45 H new ATOM 0 HB2 LEU B 169 4.796 -4.426 -3.651 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.083 -2.825 -3.665 1.00 0.60 H new ATOM 0 HG LEU B 169 6.560 -3.708 -2.156 1.00 0.77 H new ATOM 0 HD11 LEU B 169 7.679 -2.040 -3.579 1.00 1.09 H new ATOM 0 HD12 LEU B 169 6.895 -3.313 -4.544 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.135 -1.711 -4.400 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.740 -1.370 -1.396 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.157 -1.014 -2.128 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.272 -2.157 -0.768 1.00 0.77 H new ATOM 819 N LEU B 170 2.434 -5.676 -2.981 1.00 0.34 N ATOM 820 CA LEU B 170 1.226 -6.303 -3.513 1.00 0.36 C ATOM 821 C LEU B 170 0.227 -6.595 -2.397 1.00 0.28 C ATOM 822 O LEU B 170 -0.968 -6.338 -2.539 1.00 0.32 O ATOM 823 CB LEU B 170 1.564 -7.593 -4.268 1.00 0.47 C ATOM 824 CG LEU B 170 2.249 -7.393 -5.624 1.00 0.59 C ATOM 825 CD1 LEU B 170 3.717 -7.042 -5.442 1.00 0.60 C ATOM 826 CD2 LEU B 170 2.102 -8.638 -6.484 1.00 0.72 C ATOM 0 H LEU B 170 3.286 -6.222 -3.108 1.00 0.34 H new ATOM 0 HA LEU B 170 0.770 -5.602 -4.212 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.210 -8.205 -3.639 1.00 0.47 H new ATOM 0 HB3 LEU B 170 0.644 -8.156 -4.423 1.00 0.47 H new ATOM 0 HG LEU B 170 1.761 -6.561 -6.132 1.00 0.59 H new ATOM 0 HD11 LEU B 170 4.182 -6.905 -6.418 1.00 0.60 H new ATOM 0 HD12 LEU B 170 3.802 -6.120 -4.867 1.00 0.60 H new ATOM 0 HD13 LEU B 170 4.221 -7.849 -4.910 1.00 0.60 H new ATOM 0 HD21 LEU B 170 2.594 -8.478 -7.443 1.00 0.72 H new ATOM 0 HD22 LEU B 170 2.562 -9.487 -5.977 1.00 0.72 H new ATOM 0 HD23 LEU B 170 1.044 -8.843 -6.649 1.00 0.72 H new ATOM 838 N LEU B 171 0.723 -7.135 -1.288 1.00 0.24 N ATOM 839 CA LEU B 171 -0.131 -7.458 -0.151 1.00 0.26 C ATOM 840 C LEU B 171 -0.826 -6.207 0.378 1.00 0.23 C ATOM 841 O LEU B 171 -2.020 -6.227 0.677 1.00 0.29 O ATOM 842 CB LEU B 171 0.690 -8.108 0.966 1.00 0.32 C ATOM 843 CG LEU B 171 1.281 -9.478 0.629 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.147 -9.981 1.774 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.174 -10.475 0.319 1.00 0.50 C ATOM 0 H LEU B 171 1.709 -7.357 -1.153 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.891 -8.162 -0.489 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.504 -7.435 1.235 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.057 -8.210 1.847 1.00 0.32 H new ATOM 0 HG LEU B 171 1.908 -9.374 -0.257 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.559 -10.957 1.517 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.961 -9.278 1.950 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.542 -10.069 2.676 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.613 -11.444 0.082 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.479 -10.575 1.186 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.406 -10.121 -0.533 1.00 0.50 H new ATOM 857 N SER B 172 -0.070 -5.119 0.492 1.00 0.18 N ATOM 858 CA SER B 172 -0.612 -3.860 0.985 1.00 0.19 C ATOM 859 C SER B 172 -1.738 -3.360 0.086 1.00 0.14 C ATOM 860 O SER B 172 -2.814 -2.999 0.564 1.00 0.18 O ATOM 861 CB SER B 172 0.492 -2.804 1.072 1.00 0.23 C ATOM 862 OG SER B 172 1.513 -3.207 1.969 1.00 0.31 O ATOM 0 H SER B 172 0.920 -5.085 0.249 1.00 0.18 H new ATOM 0 HA SER B 172 -1.018 -4.036 1.981 1.00 0.19 H new ATOM 0 HB2 SER B 172 0.918 -2.636 0.083 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.067 -1.856 1.401 1.00 0.23 H new ATOM 0 HG SER B 172 2.079 -3.882 1.539 1.00 0.31 H new ATOM 868 N HIS B 173 -1.485 -3.341 -1.219 1.00 0.12 N ATOM 869 CA HIS B 173 -2.479 -2.884 -2.184 1.00 0.15 C ATOM 870 C HIS B 173 -3.726 -3.761 -2.138 1.00 0.20 C ATOM 871 O HIS B 173 -4.842 -3.260 -2.007 1.00 0.25 O ATOM 872 CB HIS B 173 -1.892 -2.885 -3.596 1.00 0.19 C ATOM 873 CG HIS B 173 -0.748 -1.934 -3.769 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.528 -2.341 -4.098 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.694 -0.585 -3.661 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.318 -1.285 -4.183 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.601 -0.208 -3.923 1.00 0.28 N ATOM 0 H HIS B 173 -0.601 -3.637 -1.632 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.763 -1.866 -1.919 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.556 -3.893 -3.840 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.677 -2.629 -4.307 1.00 0.19 H new ATOM 0 HD1 HIS B 173 0.817 -3.307 -4.252 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.515 0.072 -3.415 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.371 -1.301 -4.424 1.00 0.30 H new ATOM 886 N LEU B 174 -3.531 -5.071 -2.245 1.00 0.21 N ATOM 887 CA LEU B 174 -4.647 -6.008 -2.214 1.00 0.28 C ATOM 888 C LEU B 174 -5.417 -5.892 -0.902 1.00 0.28 C ATOM 889 O LEU B 174 -6.639 -5.743 -0.898 1.00 0.31 O ATOM 890 CB LEU B 174 -4.148 -7.442 -2.402 1.00 0.32 C ATOM 891 CG LEU B 174 -3.539 -7.744 -3.773 1.00 0.34 C ATOM 892 CD1 LEU B 174 -3.158 -9.214 -3.874 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.509 -7.367 -4.883 1.00 0.44 C ATOM 0 H LEU B 174 -2.615 -5.506 -2.353 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.320 -5.758 -3.034 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.402 -7.654 -1.636 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.981 -8.125 -2.233 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.636 -7.145 -3.888 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.726 -9.411 -4.855 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -2.428 -9.455 -3.101 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -4.047 -9.830 -3.738 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -4.059 -7.589 -5.851 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -5.430 -7.939 -4.771 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.734 -6.302 -4.823 1.00 0.44 H new ATOM 905 N LEU B 175 -4.693 -5.963 0.210 1.00 0.27 N ATOM 906 CA LEU B 175 -5.305 -5.869 1.530 1.00 0.30 C ATOM 907 C LEU B 175 -5.978 -4.515 1.739 1.00 0.27 C ATOM 908 O LEU B 175 -7.150 -4.448 2.109 1.00 0.28 O ATOM 909 CB LEU B 175 -4.253 -6.101 2.617 1.00 0.33 C ATOM 910 CG LEU B 175 -3.700 -7.526 2.689 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.598 -7.619 3.732 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.815 -8.512 3.002 1.00 0.46 C ATOM 0 H LEU B 175 -3.680 -6.085 0.223 1.00 0.27 H new ATOM 0 HA LEU B 175 -6.072 -6.641 1.597 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.424 -5.414 2.451 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.689 -5.847 3.583 1.00 0.33 H new ATOM 0 HG LEU B 175 -3.275 -7.781 1.718 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.217 -8.640 3.769 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.788 -6.939 3.468 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.997 -7.345 4.709 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.406 -9.521 3.050 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.267 -8.258 3.961 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.573 -8.465 2.220 1.00 0.46 H new ATOM 924 N ALA B 176 -5.238 -3.437 1.494 1.00 0.25 N ATOM 925 CA ALA B 176 -5.772 -2.092 1.673 1.00 0.23 C ATOM 926 C ALA B 176 -7.097 -1.918 0.933 1.00 0.20 C ATOM 927 O ALA B 176 -8.106 -1.528 1.528 1.00 0.20 O ATOM 928 CB ALA B 176 -4.761 -1.062 1.197 1.00 0.24 C ATOM 0 H ALA B 176 -4.271 -3.469 1.172 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.961 -1.941 2.736 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.169 -0.061 1.335 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.841 -1.161 1.774 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.546 -1.224 0.141 1.00 0.24 H new ATOM 934 N ILE B 177 -7.096 -2.220 -0.362 1.00 0.20 N ATOM 935 CA ILE B 177 -8.302 -2.099 -1.169 1.00 0.20 C ATOM 936 C ILE B 177 -9.383 -3.049 -0.668 1.00 0.20 C ATOM 937 O ILE B 177 -10.548 -2.672 -0.544 1.00 0.20 O ATOM 938 CB ILE B 177 -8.028 -2.382 -2.658 1.00 0.24 C ATOM 939 CG1 ILE B 177 -6.931 -1.456 -3.185 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.302 -2.208 -3.470 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.518 -1.760 -4.609 1.00 0.31 C ATOM 0 H ILE B 177 -6.276 -2.549 -0.872 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.645 -1.069 -1.072 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.688 -3.413 -2.759 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.279 -0.425 -3.128 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.058 -1.534 -2.537 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.094 -2.411 -4.521 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.061 -2.902 -3.109 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.665 -1.186 -3.363 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -5.737 -1.065 -4.918 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.140 -2.781 -4.668 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.379 -1.654 -5.268 1.00 0.31 H new ATOM 953 N GLY B 178 -8.987 -4.286 -0.382 1.00 0.23 N ATOM 954 CA GLY B 178 -9.933 -5.270 0.108 1.00 0.26 C ATOM 955 C GLY B 178 -10.634 -4.807 1.368 1.00 0.24 C ATOM 956 O GLY B 178 -11.857 -4.891 1.474 1.00 0.26 O ATOM 0 H GLY B 178 -8.029 -4.623 -0.481 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.674 -5.476 -0.664 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.412 -6.206 0.307 1.00 0.26 H new ATOM 960 N LEU B 179 -9.855 -4.314 2.326 1.00 0.25 N ATOM 961 CA LEU B 179 -10.408 -3.825 3.583 1.00 0.28 C ATOM 962 C LEU B 179 -11.489 -2.784 3.320 1.00 0.25 C ATOM 963 O LEU B 179 -12.584 -2.856 3.879 1.00 0.29 O ATOM 964 CB LEU B 179 -9.305 -3.220 4.456 1.00 0.33 C ATOM 965 CG LEU B 179 -8.283 -4.221 4.996 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.199 -3.501 5.784 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.968 -5.268 5.862 1.00 0.43 C ATOM 0 H LEU B 179 -8.840 -4.243 2.255 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.851 -4.669 4.111 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.777 -2.463 3.875 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.770 -2.708 5.299 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.816 -4.727 4.151 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.480 -4.228 6.161 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.689 -2.789 5.135 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.650 -2.969 6.621 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.225 -5.972 6.238 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.462 -4.779 6.702 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.708 -5.804 5.268 1.00 0.43 H new ATOM 979 N GLY B 180 -11.174 -1.816 2.465 1.00 0.22 N ATOM 980 CA GLY B 180 -12.130 -0.775 2.140 1.00 0.23 C ATOM 981 C GLY B 180 -13.431 -1.328 1.586 1.00 0.22 C ATOM 982 O GLY B 180 -14.513 -0.943 2.028 1.00 0.27 O ATOM 0 H GLY B 180 -10.274 -1.735 1.992 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.341 -0.188 3.034 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.688 -0.096 1.410 1.00 0.23 H new ATOM 986 N ILE B 181 -13.327 -2.234 0.619 1.00 0.21 N ATOM 987 CA ILE B 181 -14.506 -2.833 0.002 1.00 0.27 C ATOM 988 C ILE B 181 -15.335 -3.613 1.019 1.00 0.29 C ATOM 989 O ILE B 181 -16.552 -3.442 1.103 1.00 0.35 O ATOM 990 CB ILE B 181 -14.119 -3.781 -1.152 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.288 -3.037 -2.197 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.362 -4.382 -1.791 1.00 0.44 C ATOM 993 CD1 ILE B 181 -12.894 -3.895 -3.379 1.00 0.93 C ATOM 0 H ILE B 181 -12.439 -2.570 0.246 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.101 -2.008 -0.391 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.517 -4.592 -0.743 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -13.855 -2.178 -2.555 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.386 -2.649 -1.723 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.068 -5.048 -2.603 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -15.919 -4.946 -1.043 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -15.990 -3.584 -2.186 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -12.307 -3.302 -4.080 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -12.300 -4.741 -3.033 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -13.791 -4.262 -3.878 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.671 -4.465 1.790 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.349 -5.279 2.793 1.00 0.40 C ATOM 1007 C TYR B 182 -16.225 -4.423 3.701 1.00 0.44 C ATOM 1008 O TYR B 182 -17.409 -4.706 3.884 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.325 -6.047 3.628 1.00 0.44 C ATOM 1010 CG TYR B 182 -14.941 -6.871 4.737 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.628 -8.045 4.457 1.00 1.25 C ATOM 1012 CD2 TYR B 182 -14.834 -6.472 6.065 1.00 1.42 C ATOM 1013 CE1 TYR B 182 -16.192 -8.800 5.468 1.00 1.30 C ATOM 1014 CE2 TYR B 182 -15.395 -7.223 7.081 1.00 1.52 C ATOM 1015 CZ TYR B 182 -16.072 -8.384 6.777 1.00 0.84 C ATOM 1016 OH TYR B 182 -16.633 -9.134 7.786 1.00 0.99 O ATOM 0 H TYR B 182 -13.663 -4.611 1.740 1.00 0.31 H new ATOM 0 HA TYR B 182 -15.992 -5.987 2.271 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -13.754 -6.705 2.972 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.619 -5.339 4.062 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.723 -8.373 3.433 1.00 1.25 H new ATOM 0 HD2 TYR B 182 -14.305 -5.562 6.306 1.00 1.42 H new ATOM 0 HE1 TYR B 182 -16.724 -9.711 5.234 1.00 1.30 H new ATOM 0 HE2 TYR B 182 -15.303 -6.901 8.108 1.00 1.52 H new ATOM 0 HH TYR B 182 -16.458 -8.704 8.649 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.638 -3.378 4.270 1.00 0.44 N ATOM 1027 CA ILE B 183 -16.368 -2.486 5.161 1.00 0.55 C ATOM 1028 C ILE B 183 -17.517 -1.799 4.433 1.00 0.56 C ATOM 1029 O ILE B 183 -18.638 -1.743 4.937 1.00 0.67 O ATOM 1030 CB ILE B 183 -15.439 -1.415 5.768 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -14.279 -2.079 6.511 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -16.220 -0.502 6.702 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -13.312 -1.094 7.129 1.00 1.10 C ATOM 0 H ILE B 183 -14.659 -3.127 4.130 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.772 -3.102 5.965 1.00 0.55 H new ATOM 0 HB ILE B 183 -15.030 -0.809 4.959 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -14.681 -2.721 7.295 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.736 -2.723 5.819 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -15.550 0.248 7.122 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -17.016 -0.007 6.145 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -16.655 -1.092 7.509 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -12.516 -1.637 7.639 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -12.881 -0.468 6.348 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -13.841 -0.467 7.847 1.00 1.10 H new ATOM 1045 N GLY B 184 -17.230 -1.278 3.246 1.00 0.49 N ATOM 1046 CA GLY B 184 -18.248 -0.598 2.468 1.00 0.55 C ATOM 1047 C GLY B 184 -19.398 -1.505 2.074 1.00 0.61 C ATOM 1048 O GLY B 184 -20.564 -1.130 2.200 1.00 0.72 O ATOM 0 H GLY B 184 -16.310 -1.314 2.808 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -18.636 0.242 3.044 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.794 -0.185 1.568 1.00 0.55 H new ATOM 1052 N ARG B 185 -19.072 -2.703 1.599 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.089 -3.659 1.173 1.00 0.70 C ATOM 1054 C ARG B 185 -21.018 -4.044 2.322 1.00 0.81 C ATOM 1055 O ARG B 185 -22.108 -4.569 2.094 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.435 -4.914 0.592 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.628 -5.704 1.601 1.00 0.66 C ATOM 1058 CD ARG B 185 -18.349 -7.115 1.107 1.00 0.80 C ATOM 1059 NE ARG B 185 -17.599 -7.121 -0.146 1.00 1.20 N ATOM 1060 CZ ARG B 185 -17.217 -8.231 -0.769 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -17.516 -9.418 -0.256 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -16.538 -8.157 -1.907 1.00 2.16 N ATOM 0 H ARG B 185 -18.113 -3.035 1.499 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.688 -3.175 0.402 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.210 -5.558 0.177 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -18.785 -4.625 -0.234 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.686 -5.192 1.796 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.168 -5.748 2.547 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -17.789 -7.660 1.867 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -19.292 -7.642 0.967 1.00 0.80 H new ATOM 0 HE ARG B 185 -17.355 -6.224 -0.566 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -18.040 -9.479 0.617 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -17.222 -10.269 -0.735 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -16.308 -7.247 -2.305 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -16.246 -9.011 -2.383 1.00 2.16 H new