USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 170 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 84:sc= 2.32 USER MOD Set 1.2: A 173 HIS : no HD1:sc= -0.253 K(o=4.4,f=3.5) USER MOD Set 1.3: B 172 SER OG : rot -83:sc= 1.26 USER MOD Set 1.4: B 173 HIS : no HD1:sc= 1.04 K(o=4.4,f=-4.8!) 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 260 N LEU A 166 66.871 52.610 52.980 1.00 0.00 N ATOM 261 CA LEU A 166 67.430 52.087 51.720 1.00 0.00 C ATOM 262 C LEU A 166 66.519 51.097 50.954 1.00 0.00 C ATOM 263 O LEU A 166 66.394 51.266 49.742 1.00 0.00 O ATOM 264 CB LEU A 166 68.877 51.610 51.890 1.00 0.00 C ATOM 265 CG LEU A 166 69.737 52.259 50.812 1.00 0.00 C ATOM 266 CD1 LEU A 166 71.170 52.426 51.312 1.00 0.00 C ATOM 267 CD2 LEU A 166 69.741 51.435 49.526 1.00 0.00 C ATOM 0 HA LEU A 166 67.464 52.942 51.045 1.00 0.00 H new ATOM 0 HB2 LEU A 166 69.248 51.876 52.880 1.00 0.00 H new ATOM 0 HB3 LEU A 166 68.928 50.524 51.811 1.00 0.00 H new ATOM 0 HG LEU A 166 69.307 53.236 50.592 1.00 0.00 H new ATOM 0 HD11 LEU A 166 71.775 52.891 50.534 1.00 0.00 H new ATOM 0 HD12 LEU A 166 71.174 53.058 52.200 1.00 0.00 H new ATOM 0 HD13 LEU A 166 71.585 51.449 51.560 1.00 0.00 H new ATOM 0 HD21 LEU A 166 70.364 51.928 48.780 1.00 0.00 H new ATOM 0 HD22 LEU A 166 70.139 50.441 49.732 1.00 0.00 H new ATOM 0 HD23 LEU A 166 68.723 51.347 49.147 1.00 0.00 H new ATOM 273 N PRO A 167 65.823 50.150 51.617 1.00 0.00 N ATOM 274 CA PRO A 167 64.700 49.422 50.988 1.00 0.00 C ATOM 275 C PRO A 167 63.631 50.360 50.439 1.00 0.00 C ATOM 276 O PRO A 167 63.206 50.192 49.301 1.00 0.00 O ATOM 277 CB PRO A 167 64.165 48.506 52.090 1.00 0.00 C ATOM 278 CG PRO A 167 65.452 48.142 52.827 1.00 0.00 C ATOM 279 CD PRO A 167 66.222 49.459 52.862 1.00 0.00 C ATOM 0 HA PRO A 167 65.024 48.856 50.114 1.00 0.00 H new ATOM 0 HB2 PRO A 167 63.451 49.015 52.737 1.00 0.00 H new ATOM 0 HB3 PRO A 167 63.660 47.628 51.686 1.00 0.00 H new ATOM 0 HG2 PRO A 167 65.249 47.768 53.831 1.00 0.00 H new ATOM 0 HG3 PRO A 167 66.009 47.364 52.304 1.00 0.00 H new ATOM 0 HD2 PRO A 167 65.964 50.047 53.743 1.00 0.00 H new ATOM 0 HD3 PRO A 167 67.298 49.290 52.895 1.00 0.00 H new ATOM 285 N SER A 168 63.261 51.380 51.226 1.00 0.00 N ATOM 286 CA SER A 168 62.401 52.497 50.778 1.00 0.00 C ATOM 287 C SER A 168 62.908 53.158 49.485 1.00 0.00 C ATOM 288 O SER A 168 62.189 53.138 48.483 1.00 0.00 O ATOM 289 CB SER A 168 62.212 53.553 51.878 1.00 0.00 C ATOM 290 OG SER A 168 61.495 53.012 52.983 1.00 0.00 O ATOM 0 H SER A 168 63.550 51.458 52.201 1.00 0.00 H new ATOM 0 HA SER A 168 61.431 52.051 50.559 1.00 0.00 H new ATOM 0 HB2 SER A 168 63.185 53.914 52.212 1.00 0.00 H new ATOM 0 HB3 SER A 168 61.674 54.411 51.475 1.00 0.00 H new ATOM 0 HG SER A 168 61.388 53.701 53.672 1.00 0.00 H new ATOM 296 N LEU A 169 64.171 53.577 49.459 1.00 0.00 N ATOM 297 CA LEU A 169 64.849 54.110 48.249 1.00 0.00 C ATOM 298 C LEU A 169 64.826 53.157 47.043 1.00 0.00 C ATOM 299 O LEU A 169 64.496 53.572 45.935 1.00 0.00 O ATOM 300 CB LEU A 169 66.297 54.508 48.584 1.00 0.00 C ATOM 301 CG LEU A 169 66.349 55.714 49.531 1.00 0.00 C ATOM 302 CD1 LEU A 169 67.677 55.733 50.269 1.00 0.00 C ATOM 303 CD2 LEU A 169 66.221 57.022 48.763 1.00 0.00 C ATOM 0 H LEU A 169 64.773 53.561 50.282 1.00 0.00 H new ATOM 0 HA LEU A 169 64.277 54.987 47.947 1.00 0.00 H new ATOM 0 HB2 LEU A 169 66.810 53.663 49.043 1.00 0.00 H new ATOM 0 HB3 LEU A 169 66.832 54.744 47.664 1.00 0.00 H new ATOM 0 HG LEU A 169 65.518 55.620 50.230 1.00 0.00 H new ATOM 0 HD11 LEU A 169 67.708 56.591 50.940 1.00 0.00 H new ATOM 0 HD12 LEU A 169 67.785 54.816 50.848 1.00 0.00 H new ATOM 0 HD13 LEU A 169 68.492 55.805 49.549 1.00 0.00 H new ATOM 0 HD21 LEU A 169 66.261 57.859 49.460 1.00 0.00 H new ATOM 0 HD22 LEU A 169 67.040 57.106 48.048 1.00 0.00 H new ATOM 0 HD23 LEU A 169 65.270 57.039 48.230 1.00 0.00 H new ATOM 309 N LEU A 170 65.111 51.874 47.271 1.00 0.00 N ATOM 310 CA LEU A 170 65.001 50.807 46.250 1.00 0.00 C ATOM 311 C LEU A 170 63.574 50.656 45.688 1.00 0.00 C ATOM 312 O LEU A 170 63.374 50.683 44.474 1.00 0.00 O ATOM 313 CB LEU A 170 65.472 49.469 46.816 1.00 0.00 C ATOM 314 CG LEU A 170 66.973 49.465 47.100 1.00 0.00 C ATOM 315 CD1 LEU A 170 67.286 48.344 48.095 1.00 0.00 C ATOM 316 CD2 LEU A 170 67.787 49.260 45.816 1.00 0.00 C ATOM 0 H LEU A 170 65.429 51.533 48.178 1.00 0.00 H new ATOM 0 HA LEU A 170 65.646 51.108 45.424 1.00 0.00 H new ATOM 0 HB2 LEU A 170 64.928 49.253 47.736 1.00 0.00 H new ATOM 0 HB3 LEU A 170 65.234 48.673 46.110 1.00 0.00 H new ATOM 0 HG LEU A 170 67.250 50.433 47.518 1.00 0.00 H new ATOM 0 HD11 LEU A 170 68.356 48.332 48.305 1.00 0.00 H new ATOM 0 HD12 LEU A 170 66.736 48.515 49.021 1.00 0.00 H new ATOM 0 HD13 LEU A 170 66.989 47.386 47.669 1.00 0.00 H new ATOM 0 HD21 LEU A 170 68.850 49.263 46.055 1.00 0.00 H new ATOM 0 HD22 LEU A 170 67.519 48.305 45.364 1.00 0.00 H new ATOM 0 HD23 LEU A 170 67.571 50.067 45.115 1.00 0.00 H new ATOM 322 N LEU A 171 62.599 50.541 46.591 1.00 0.00 N ATOM 323 CA LEU A 171 61.160 50.487 46.261 1.00 0.00 C ATOM 324 C LEU A 171 60.728 51.737 45.459 1.00 0.00 C ATOM 325 O LEU A 171 60.077 51.623 44.418 1.00 0.00 O ATOM 326 CB LEU A 171 60.364 50.347 47.565 1.00 0.00 C ATOM 327 CG LEU A 171 58.861 50.096 47.361 1.00 0.00 C ATOM 328 CD1 LEU A 171 58.587 48.729 46.725 1.00 0.00 C ATOM 329 CD2 LEU A 171 58.140 50.212 48.703 1.00 0.00 C ATOM 0 H LEU A 171 62.783 50.481 47.593 1.00 0.00 H new ATOM 0 HA LEU A 171 60.959 49.624 45.626 1.00 0.00 H new ATOM 0 HB2 LEU A 171 60.783 49.526 48.147 1.00 0.00 H new ATOM 0 HB3 LEU A 171 60.493 51.254 48.156 1.00 0.00 H new ATOM 0 HG LEU A 171 58.483 50.851 46.672 1.00 0.00 H new ATOM 0 HD11 LEU A 171 57.513 48.595 46.600 1.00 0.00 H new ATOM 0 HD12 LEU A 171 59.075 48.676 45.752 1.00 0.00 H new ATOM 0 HD13 LEU A 171 58.978 47.942 47.370 1.00 0.00 H new ATOM 0 HD21 LEU A 171 57.074 50.034 48.560 1.00 0.00 H new ATOM 0 HD22 LEU A 171 58.541 49.473 49.397 1.00 0.00 H new ATOM 0 HD23 LEU A 171 58.290 51.212 49.111 1.00 0.00 H new ATOM 335 N SER A 172 61.172 52.907 45.928 1.00 0.00 N ATOM 336 CA SER A 172 61.062 54.199 45.228 1.00 0.00 C ATOM 337 C SER A 172 61.582 54.159 43.786 1.00 0.00 C ATOM 338 O SER A 172 60.784 54.329 42.860 1.00 0.00 O ATOM 339 CB SER A 172 61.778 55.280 46.037 1.00 0.00 C ATOM 340 OG SER A 172 61.957 56.488 45.285 1.00 0.00 O ATOM 0 H SER A 172 61.633 52.988 46.834 1.00 0.00 H new ATOM 0 HA SER A 172 60.000 54.434 45.151 1.00 0.00 H new ATOM 0 HB2 SER A 172 61.205 55.496 46.939 1.00 0.00 H new ATOM 0 HB3 SER A 172 62.750 54.907 46.359 1.00 0.00 H new ATOM 0 HG SER A 172 61.145 57.034 45.345 1.00 0.00 H new ATOM 346 N HIS A 173 62.855 53.799 43.628 1.00 0.00 N ATOM 347 CA HIS A 173 63.488 53.595 42.308 1.00 0.00 C ATOM 348 C HIS A 173 62.656 52.723 41.359 1.00 0.00 C ATOM 349 O HIS A 173 62.164 53.227 40.348 1.00 0.00 O ATOM 350 CB HIS A 173 64.907 53.030 42.459 1.00 0.00 C ATOM 351 CG HIS A 173 65.969 54.130 42.506 1.00 0.00 C ATOM 352 ND1 HIS A 173 66.616 54.643 41.464 1.00 0.00 N ATOM 353 CD2 HIS A 173 66.332 54.822 43.581 1.00 0.00 C ATOM 354 CE1 HIS A 173 67.349 55.661 41.879 1.00 0.00 C ATOM 355 NE2 HIS A 173 67.172 55.776 43.186 1.00 0.00 N ATOM 0 H HIS A 173 63.487 53.637 44.412 1.00 0.00 H new ATOM 0 HA HIS A 173 63.545 54.581 41.848 1.00 0.00 H new ATOM 0 HB2 HIS A 173 64.963 52.435 43.370 1.00 0.00 H new ATOM 0 HB3 HIS A 173 65.119 52.359 41.626 1.00 0.00 H new ATOM 0 HD2 HIS A 173 66.004 54.642 44.594 1.00 0.00 H new ATOM 0 HE1 HIS A 173 67.979 56.286 41.263 1.00 0.00 H new ATOM 0 HE2 HIS A 173 67.605 56.476 43.788 1.00 0.00 H new ATOM 360 N LEU A 174 62.260 51.558 41.870 1.00 0.00 N ATOM 361 CA LEU A 174 61.378 50.591 41.181 1.00 0.00 C ATOM 362 C LEU A 174 60.060 51.221 40.707 1.00 0.00 C ATOM 363 O LEU A 174 59.808 51.299 39.506 1.00 0.00 O ATOM 364 CB LEU A 174 61.151 49.419 42.148 1.00 0.00 C ATOM 365 CG LEU A 174 60.275 48.308 41.573 1.00 0.00 C ATOM 366 CD1 LEU A 174 60.967 47.543 40.439 1.00 0.00 C ATOM 367 CD2 LEU A 174 59.844 47.362 42.694 1.00 0.00 C ATOM 0 H LEU A 174 62.546 51.244 42.797 1.00 0.00 H new ATOM 0 HA LEU A 174 61.855 50.241 40.266 1.00 0.00 H new ATOM 0 HB2 LEU A 174 62.117 48.999 42.429 1.00 0.00 H new ATOM 0 HB3 LEU A 174 60.690 49.797 43.061 1.00 0.00 H new ATOM 0 HG LEU A 174 59.392 48.772 41.133 1.00 0.00 H new ATOM 0 HD11 LEU A 174 60.301 46.765 40.066 1.00 0.00 H new ATOM 0 HD12 LEU A 174 61.209 48.232 39.630 1.00 0.00 H new ATOM 0 HD13 LEU A 174 61.884 47.087 40.814 1.00 0.00 H new ATOM 0 HD21 LEU A 174 59.219 46.570 42.282 1.00 0.00 H new ATOM 0 HD22 LEU A 174 60.727 46.923 43.159 1.00 0.00 H new ATOM 0 HD23 LEU A 174 59.279 47.918 43.442 1.00 0.00 H new ATOM 373 N LEU A 175 59.310 51.803 41.650 1.00 0.00 N ATOM 374 CA LEU A 175 58.042 52.509 41.375 1.00 0.00 C ATOM 375 C LEU A 175 58.159 53.620 40.314 1.00 0.00 C ATOM 376 O LEU A 175 57.407 53.652 39.352 1.00 0.00 O ATOM 377 CB LEU A 175 57.454 53.072 42.672 1.00 0.00 C ATOM 378 CG LEU A 175 56.835 51.962 43.547 1.00 0.00 C ATOM 379 CD1 LEU A 175 56.605 52.481 44.955 1.00 0.00 C ATOM 380 CD2 LEU A 175 55.504 51.478 42.960 1.00 0.00 C ATOM 0 H LEU A 175 59.565 51.800 42.638 1.00 0.00 H new ATOM 0 HA LEU A 175 57.369 51.762 40.954 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.235 53.585 43.233 1.00 0.00 H new ATOM 0 HB3 LEU A 175 56.693 53.815 42.434 1.00 0.00 H new ATOM 0 HG LEU A 175 57.531 51.123 43.572 1.00 0.00 H new ATOM 0 HD11 LEU A 175 56.168 51.692 45.567 1.00 0.00 H new ATOM 0 HD12 LEU A 175 57.556 52.791 45.388 1.00 0.00 H new ATOM 0 HD13 LEU A 175 55.926 53.333 44.922 1.00 0.00 H new ATOM 0 HD21 LEU A 175 55.089 50.696 43.596 1.00 0.00 H new ATOM 0 HD22 LEU A 175 54.805 52.312 42.908 1.00 0.00 H new ATOM 0 HD23 LEU A 175 55.671 51.081 41.959 1.00 0.00 H new ATOM 386 N ALA A 176 59.221 54.421 40.449 1.00 0.00 N ATOM 387 CA ALA A 176 59.478 55.582 39.588 1.00 0.00 C ATOM 388 C ALA A 176 59.967 55.233 38.167 1.00 0.00 C ATOM 389 O ALA A 176 59.287 55.577 37.206 1.00 0.00 O ATOM 390 CB ALA A 176 60.438 56.524 40.321 1.00 0.00 C ATOM 0 H ALA A 176 59.933 54.281 41.165 1.00 0.00 H new ATOM 0 HA ALA A 176 58.525 56.080 39.410 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.642 57.394 39.697 1.00 0.00 H new ATOM 0 HB2 ALA A 176 59.985 56.848 41.258 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.371 56.001 40.531 1.00 0.00 H new ATOM 396 N ILE A 177 61.048 54.446 38.057 1.00 0.00 N ATOM 397 CA ILE A 177 61.562 53.943 36.747 1.00 0.00 C ATOM 398 C ILE A 177 60.449 53.181 35.991 1.00 0.00 C ATOM 399 O ILE A 177 60.303 53.373 34.784 1.00 0.00 O ATOM 400 CB ILE A 177 62.825 53.064 36.892 1.00 0.00 C ATOM 401 CG1 ILE A 177 63.920 53.781 37.680 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.395 52.698 35.516 1.00 0.00 C ATOM 403 CD1 ILE A 177 64.959 52.853 38.326 1.00 0.00 C ATOM 0 H ILE A 177 61.596 54.135 38.859 1.00 0.00 H new ATOM 0 HA ILE A 177 61.859 54.817 36.167 1.00 0.00 H new ATOM 0 HB ILE A 177 62.520 52.165 37.427 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.435 54.472 37.013 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.453 54.381 38.461 1.00 0.00 H new ATOM 0 HG21 ILE A 177 64.283 52.079 35.643 1.00 0.00 H new ATOM 0 HG22 ILE A 177 62.647 52.146 34.947 1.00 0.00 H new ATOM 0 HG23 ILE A 177 63.661 53.608 34.978 1.00 0.00 H new ATOM 0 HD11 ILE A 177 65.696 53.450 38.863 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.461 52.178 39.022 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.459 52.271 37.551 1.00 0.00 H new ATOM 407 N GLY A 178 59.676 52.380 36.737 1.00 0.00 N ATOM 408 CA GLY A 178 58.502 51.629 36.239 1.00 0.00 C ATOM 409 C GLY A 178 57.506 52.530 35.491 1.00 0.00 C ATOM 410 O GLY A 178 57.349 52.422 34.272 1.00 0.00 O ATOM 0 H GLY A 178 59.850 52.229 37.731 1.00 0.00 H new ATOM 0 HA2 GLY A 178 58.838 50.833 35.574 1.00 0.00 H new ATOM 0 HA3 GLY A 178 57.997 51.151 37.078 1.00 0.00 H new ATOM 414 N LEU A 179 56.962 53.502 36.228 1.00 0.00 N ATOM 415 CA LEU A 179 56.130 54.588 35.671 1.00 0.00 C ATOM 416 C LEU A 179 56.758 55.257 34.436 1.00 0.00 C ATOM 417 O LEU A 179 56.155 55.264 33.372 1.00 0.00 O ATOM 418 CB LEU A 179 55.852 55.633 36.757 1.00 0.00 C ATOM 419 CG LEU A 179 54.531 55.337 37.474 1.00 0.00 C ATOM 420 CD1 LEU A 179 54.697 55.466 38.988 1.00 0.00 C ATOM 421 CD2 LEU A 179 53.455 56.316 37.000 1.00 0.00 C ATOM 0 H LEU A 179 57.084 53.564 37.239 1.00 0.00 H new ATOM 0 HA LEU A 179 55.196 54.137 35.336 1.00 0.00 H new ATOM 0 HB2 LEU A 179 56.669 55.640 37.479 1.00 0.00 H new ATOM 0 HB3 LEU A 179 55.813 56.626 36.310 1.00 0.00 H new ATOM 0 HG LEU A 179 54.233 54.316 37.237 1.00 0.00 H new ATOM 0 HD11 LEU A 179 53.747 55.252 39.478 1.00 0.00 H new ATOM 0 HD12 LEU A 179 55.451 54.758 39.333 1.00 0.00 H new ATOM 0 HD13 LEU A 179 55.012 56.480 39.234 1.00 0.00 H new ATOM 0 HD21 LEU A 179 52.517 56.102 37.512 1.00 0.00 H new ATOM 0 HD22 LEU A 179 53.767 57.336 37.225 1.00 0.00 H new ATOM 0 HD23 LEU A 179 53.314 56.209 35.925 1.00 0.00 H new ATOM 427 N GLY A 180 58.038 55.631 34.589 1.00 0.00 N ATOM 428 CA GLY A 180 58.873 56.261 33.546 1.00 0.00 C ATOM 429 C GLY A 180 58.871 55.515 32.203 1.00 0.00 C ATOM 430 O GLY A 180 58.318 56.019 31.225 1.00 0.00 O ATOM 0 H GLY A 180 58.539 55.501 35.468 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.524 57.281 33.383 1.00 0.00 H new ATOM 0 HA3 GLY A 180 59.898 56.330 33.909 1.00 0.00 H new ATOM 434 N ILE A 181 59.392 54.291 32.213 1.00 0.00 N ATOM 435 CA ILE A 181 59.487 53.435 30.999 1.00 0.00 C ATOM 436 C ILE A 181 58.136 53.181 30.295 1.00 0.00 C ATOM 437 O ILE A 181 58.074 53.103 29.068 1.00 0.00 O ATOM 438 CB ILE A 181 60.268 52.122 31.239 1.00 0.00 C ATOM 439 CG1 ILE A 181 59.752 51.244 32.390 1.00 0.00 C ATOM 440 CG2 ILE A 181 61.750 52.406 31.429 1.00 0.00 C ATOM 441 CD1 ILE A 181 58.658 50.265 31.967 1.00 0.00 C ATOM 0 H ILE A 181 59.764 53.851 33.054 1.00 0.00 H new ATOM 0 HA ILE A 181 60.075 54.030 30.300 1.00 0.00 H new ATOM 0 HB ILE A 181 60.100 51.537 30.335 1.00 0.00 H new ATOM 0 HG12 ILE A 181 60.587 50.684 32.811 1.00 0.00 H new ATOM 0 HG13 ILE A 181 59.367 51.886 33.182 1.00 0.00 H new ATOM 0 HG21 ILE A 181 62.281 51.469 31.596 1.00 0.00 H new ATOM 0 HG22 ILE A 181 62.145 52.893 30.537 1.00 0.00 H new ATOM 0 HG23 ILE A 181 61.888 53.060 32.290 1.00 0.00 H new ATOM 0 HD11 ILE A 181 58.342 49.678 32.829 1.00 0.00 H new ATOM 0 HD12 ILE A 181 57.806 50.819 31.573 1.00 0.00 H new ATOM 0 HD13 ILE A 181 59.045 49.598 31.197 1.00 0.00 H new ATOM 445 N TYR A 182 57.074 53.095 31.103 1.00 0.00 N ATOM 446 CA TYR A 182 55.678 52.978 30.650 1.00 0.00 C ATOM 447 C TYR A 182 55.171 54.236 29.904 1.00 0.00 C ATOM 448 O TYR A 182 54.834 54.144 28.721 1.00 0.00 O ATOM 449 CB TYR A 182 54.852 52.568 31.885 1.00 0.00 C ATOM 450 CG TYR A 182 53.374 52.957 31.881 1.00 0.00 C ATOM 451 CD1 TYR A 182 52.454 52.358 30.983 1.00 0.00 C ATOM 452 CD2 TYR A 182 52.970 54.010 32.748 1.00 0.00 C ATOM 453 CE1 TYR A 182 51.152 52.845 30.918 1.00 0.00 C ATOM 454 CE2 TYR A 182 51.666 54.497 32.673 1.00 0.00 C ATOM 455 CZ TYR A 182 50.760 53.912 31.752 1.00 0.00 C ATOM 456 OH TYR A 182 49.526 54.450 31.615 1.00 0.00 O ATOM 0 H TYR A 182 57.161 53.105 32.119 1.00 0.00 H new ATOM 0 HA TYR A 182 55.574 52.211 29.882 1.00 0.00 H new ATOM 0 HB2 TYR A 182 54.919 51.486 31.995 1.00 0.00 H new ATOM 0 HB3 TYR A 182 55.317 53.008 32.767 1.00 0.00 H new ATOM 0 HD1 TYR A 182 52.760 51.533 30.357 1.00 0.00 H new ATOM 0 HD2 TYR A 182 53.668 54.429 33.458 1.00 0.00 H new ATOM 0 HE1 TYR A 182 50.444 52.407 30.231 1.00 0.00 H new ATOM 0 HE2 TYR A 182 51.349 55.310 33.309 1.00 0.00 H new ATOM 0 HH TYR A 182 49.411 55.175 32.265 1.00 0.00 H new ATOM 461 N ILE A 183 55.215 55.396 30.564 1.00 0.00 N ATOM 462 CA ILE A 183 54.823 56.703 29.961 1.00 0.00 C ATOM 463 C ILE A 183 55.648 56.999 28.679 1.00 0.00 C ATOM 464 O ILE A 183 55.138 57.594 27.728 1.00 0.00 O ATOM 465 CB ILE A 183 54.966 57.854 30.979 1.00 0.00 C ATOM 466 CG1 ILE A 183 54.226 57.551 32.295 1.00 0.00 C ATOM 467 CG2 ILE A 183 54.392 59.155 30.402 1.00 0.00 C ATOM 468 CD1 ILE A 183 54.747 58.337 33.496 1.00 0.00 C ATOM 0 H ILE A 183 55.522 55.471 31.534 1.00 0.00 H new ATOM 0 HA ILE A 183 53.773 56.632 29.679 1.00 0.00 H new ATOM 0 HB ILE A 183 56.031 57.961 31.183 1.00 0.00 H new ATOM 0 HG12 ILE A 183 53.166 57.770 32.163 1.00 0.00 H new ATOM 0 HG13 ILE A 183 54.307 56.485 32.508 1.00 0.00 H new ATOM 0 HG21 ILE A 183 54.501 59.956 31.133 1.00 0.00 H new ATOM 0 HG22 ILE A 183 54.931 59.418 29.492 1.00 0.00 H new ATOM 0 HG23 ILE A 183 53.336 59.016 30.171 1.00 0.00 H new ATOM 0 HD11 ILE A 183 54.174 58.067 34.383 1.00 0.00 H new ATOM 0 HD12 ILE A 183 55.799 58.101 33.657 1.00 0.00 H new ATOM 0 HD13 ILE A 183 54.640 59.405 33.306 1.00 0.00 H new ATOM 472 N GLY A 184 56.912 56.574 28.683 1.00 0.00 N ATOM 473 CA GLY A 184 57.845 56.687 27.544 1.00 0.00 C ATOM 474 C GLY A 184 57.613 55.719 26.369 1.00 0.00 C ATOM 475 O GLY A 184 58.562 55.396 25.655 1.00 0.00 O ATOM 0 H GLY A 184 57.334 56.128 29.498 1.00 0.00 H new ATOM 0 HA2 GLY A 184 57.795 57.706 27.162 1.00 0.00 H new ATOM 0 HA3 GLY A 184 58.858 56.536 27.916 1.00 0.00 H new ATOM 479 N ARG A 185 56.356 55.340 26.120 1.00 0.00 N ATOM 480 CA ARG A 185 56.000 54.439 25.003 1.00 0.00 C ATOM 481 C ARG A 185 54.975 55.038 24.011 1.00 0.00 C ATOM 482 O ARG A 185 55.080 54.830 22.806 1.00 0.00 O ATOM 483 CB ARG A 185 55.549 53.080 25.567 1.00 0.00 C ATOM 484 CG ARG A 185 55.939 51.856 24.735 1.00 0.00 C ATOM 485 CD ARG A 185 55.032 51.584 23.534 1.00 0.00 C ATOM 486 NE ARG A 185 55.553 50.472 22.713 1.00 0.00 N ATOM 487 CZ ARG A 185 55.129 50.120 21.494 1.00 0.00 C ATOM 488 NH1 ARG A 185 54.165 50.773 20.849 1.00 0.00 N ATOM 489 NH2 ARG A 185 55.694 49.065 20.891 1.00 0.00 N ATOM 0 H ARG A 185 55.557 55.642 26.678 1.00 0.00 H new ATOM 0 HA ARG A 185 56.897 54.297 24.400 1.00 0.00 H new ATOM 0 HB2 ARG A 185 55.967 52.965 26.567 1.00 0.00 H new ATOM 0 HB3 ARG A 185 54.464 53.093 25.674 1.00 0.00 H new ATOM 0 HG2 ARG A 185 56.961 51.986 24.379 1.00 0.00 H new ATOM 0 HG3 ARG A 185 55.936 50.978 25.381 1.00 0.00 H new ATOM 0 HD2 ARG A 185 54.027 51.344 23.881 1.00 0.00 H new ATOM 0 HD3 ARG A 185 54.952 52.484 22.924 1.00 0.00 H new ATOM 0 HE ARG A 185 56.310 49.919 23.115 1.00 0.00 H new ATOM 0 HH11 ARG A 185 53.716 51.579 21.284 1.00 0.00 H new ATOM 0 HH12 ARG A 185 53.875 50.467 19.920 1.00 0.00 H new ATOM 0 HH21 ARG A 185 56.435 48.545 21.362 1.00 0.00 H new ATOM 0 HH22 ARG A 185 55.383 48.782 19.962 1.00 0.00 H new ATOM 802 N PHE B 165 65.598 61.104 55.160 1.00 0.00 N ATOM 803 CA PHE B 165 64.678 60.211 54.441 1.00 0.00 C ATOM 804 C PHE B 165 63.826 60.908 53.368 1.00 0.00 C ATOM 805 O PHE B 165 64.087 60.700 52.194 1.00 0.00 O ATOM 806 CB PHE B 165 63.871 59.467 55.514 1.00 0.00 C ATOM 807 CG PHE B 165 62.713 58.575 55.066 1.00 0.00 C ATOM 808 CD1 PHE B 165 62.916 57.180 54.927 1.00 0.00 C ATOM 809 CD2 PHE B 165 61.406 59.088 55.228 1.00 0.00 C ATOM 810 CE1 PHE B 165 61.818 56.296 54.989 1.00 0.00 C ATOM 811 CE2 PHE B 165 60.313 58.202 55.309 1.00 0.00 C ATOM 812 CZ PHE B 165 60.528 56.814 55.209 1.00 0.00 C ATOM 0 HA PHE B 165 65.239 59.499 53.835 1.00 0.00 H new ATOM 0 HB2 PHE B 165 64.566 58.848 56.082 1.00 0.00 H new ATOM 0 HB3 PHE B 165 63.470 60.211 56.203 1.00 0.00 H new ATOM 0 HD1 PHE B 165 63.912 56.793 54.773 1.00 0.00 H new ATOM 0 HD2 PHE B 165 61.246 60.154 55.289 1.00 0.00 H new ATOM 0 HE1 PHE B 165 61.966 55.233 54.869 1.00 0.00 H new ATOM 0 HE2 PHE B 165 59.313 58.587 55.447 1.00 0.00 H new ATOM 0 HZ PHE B 165 59.691 56.137 55.302 1.00 0.00 H new ATOM 818 N LEU B 166 63.041 61.918 53.767 1.00 0.00 N ATOM 819 CA LEU B 166 62.183 62.659 52.821 1.00 0.00 C ATOM 820 C LEU B 166 62.939 63.310 51.631 1.00 0.00 C ATOM 821 O LEU B 166 62.578 62.952 50.501 1.00 0.00 O ATOM 822 CB LEU B 166 61.220 63.589 53.588 1.00 0.00 C ATOM 823 CG LEU B 166 60.310 64.450 52.698 1.00 0.00 C ATOM 824 CD1 LEU B 166 59.328 63.616 51.872 1.00 0.00 C ATOM 825 CD2 LEU B 166 59.547 65.451 53.572 1.00 0.00 C ATOM 0 H LEU B 166 62.979 62.242 54.732 1.00 0.00 H new ATOM 0 HA LEU B 166 61.561 61.930 52.301 1.00 0.00 H new ATOM 0 HB2 LEU B 166 60.595 62.981 54.242 1.00 0.00 H new ATOM 0 HB3 LEU B 166 61.807 64.248 54.229 1.00 0.00 H new ATOM 0 HG LEU B 166 60.948 64.976 51.988 1.00 0.00 H new ATOM 0 HD11 LEU B 166 58.711 64.277 51.263 1.00 0.00 H new ATOM 0 HD12 LEU B 166 59.883 62.938 51.223 1.00 0.00 H new ATOM 0 HD13 LEU B 166 58.690 63.038 52.540 1.00 0.00 H new ATOM 0 HD21 LEU B 166 58.900 66.064 52.944 1.00 0.00 H new ATOM 0 HD22 LEU B 166 58.941 64.911 54.299 1.00 0.00 H new ATOM 0 HD23 LEU B 166 60.257 66.092 54.096 1.00 0.00 H new ATOM 831 N PRO B 167 63.994 64.127 51.799 1.00 0.00 N ATOM 832 CA PRO B 167 64.815 64.636 50.671 1.00 0.00 C ATOM 833 C PRO B 167 65.405 63.521 49.805 1.00 0.00 C ATOM 834 O PRO B 167 65.187 63.535 48.594 1.00 0.00 O ATOM 835 CB PRO B 167 65.926 65.471 51.298 1.00 0.00 C ATOM 836 CG PRO B 167 65.266 66.001 52.557 1.00 0.00 C ATOM 837 CD PRO B 167 64.406 64.825 53.027 1.00 0.00 C ATOM 0 HA PRO B 167 64.189 65.220 49.997 1.00 0.00 H new ATOM 0 HB2 PRO B 167 66.807 64.870 51.524 1.00 0.00 H new ATOM 0 HB3 PRO B 167 66.249 66.277 50.639 1.00 0.00 H new ATOM 0 HG2 PRO B 167 66.003 66.286 53.308 1.00 0.00 H new ATOM 0 HG3 PRO B 167 64.662 66.885 52.353 1.00 0.00 H new ATOM 0 HD2 PRO B 167 64.970 64.164 53.684 1.00 0.00 H new ATOM 0 HD3 PRO B 167 63.540 65.172 53.591 1.00 0.00 H new ATOM 843 N SER B 168 66.050 62.535 50.425 1.00 0.00 N ATOM 844 CA SER B 168 66.614 61.373 49.705 1.00 0.00 C ATOM 845 C SER B 168 65.558 60.613 48.887 1.00 0.00 C ATOM 846 O SER B 168 65.767 60.397 47.702 1.00 0.00 O ATOM 847 CB SER B 168 67.368 60.416 50.641 1.00 0.00 C ATOM 848 OG SER B 168 68.540 61.044 51.155 1.00 0.00 O ATOM 0 H SER B 168 66.201 62.509 51.433 1.00 0.00 H new ATOM 0 HA SER B 168 67.336 61.787 49.001 1.00 0.00 H new ATOM 0 HB2 SER B 168 66.719 60.115 51.463 1.00 0.00 H new ATOM 0 HB3 SER B 168 67.641 59.509 50.101 1.00 0.00 H new ATOM 0 HG SER B 168 69.009 60.423 51.751 1.00 0.00 H new ATOM 854 N LEU B 169 64.403 60.350 49.491 1.00 0.00 N ATOM 855 CA LEU B 169 63.222 59.741 48.838 1.00 0.00 C ATOM 856 C LEU B 169 62.616 60.588 47.693 1.00 0.00 C ATOM 857 O LEU B 169 62.313 60.047 46.634 1.00 0.00 O ATOM 858 CB LEU B 169 62.144 59.381 49.861 1.00 0.00 C ATOM 859 CG LEU B 169 62.224 57.952 50.438 1.00 0.00 C ATOM 860 CD1 LEU B 169 62.120 56.889 49.335 1.00 0.00 C ATOM 861 CD2 LEU B 169 63.449 57.717 51.316 1.00 0.00 C ATOM 0 H LEU B 169 64.246 60.556 50.478 1.00 0.00 H new ATOM 0 HA LEU B 169 63.598 58.830 48.372 1.00 0.00 H new ATOM 0 HB2 LEU B 169 62.200 60.091 50.686 1.00 0.00 H new ATOM 0 HB3 LEU B 169 61.168 59.511 49.394 1.00 0.00 H new ATOM 0 HG LEU B 169 61.358 57.851 51.092 1.00 0.00 H new ATOM 0 HD11 LEU B 169 62.180 55.896 49.780 1.00 0.00 H new ATOM 0 HD12 LEU B 169 61.168 56.996 48.815 1.00 0.00 H new ATOM 0 HD13 LEU B 169 62.938 57.019 48.626 1.00 0.00 H new ATOM 0 HD21 LEU B 169 63.440 56.692 51.687 1.00 0.00 H new ATOM 0 HD22 LEU B 169 64.353 57.883 50.731 1.00 0.00 H new ATOM 0 HD23 LEU B 169 63.430 58.408 52.159 1.00 0.00 H new ATOM 867 N LEU B 170 62.442 61.884 47.934 1.00 0.00 N ATOM 868 CA LEU B 170 62.010 62.862 46.894 1.00 0.00 C ATOM 869 C LEU B 170 62.917 62.792 45.659 1.00 0.00 C ATOM 870 O LEU B 170 62.492 62.424 44.572 1.00 0.00 O ATOM 871 CB LEU B 170 62.022 64.302 47.422 1.00 0.00 C ATOM 872 CG LEU B 170 60.816 64.665 48.281 1.00 0.00 C ATOM 873 CD1 LEU B 170 61.120 65.987 49.000 1.00 0.00 C ATOM 874 CD2 LEU B 170 59.558 64.850 47.427 1.00 0.00 C ATOM 0 H LEU B 170 62.592 62.304 48.851 1.00 0.00 H new ATOM 0 HA LEU B 170 60.990 62.589 46.623 1.00 0.00 H new ATOM 0 HB2 LEU B 170 62.929 64.455 48.007 1.00 0.00 H new ATOM 0 HB3 LEU B 170 62.070 64.987 46.575 1.00 0.00 H new ATOM 0 HG LEU B 170 60.634 63.857 48.990 1.00 0.00 H new ATOM 0 HD11 LEU B 170 60.270 66.267 49.622 1.00 0.00 H new ATOM 0 HD12 LEU B 170 62.003 65.865 49.627 1.00 0.00 H new ATOM 0 HD13 LEU B 170 61.303 66.768 48.263 1.00 0.00 H new ATOM 0 HD21 LEU B 170 58.716 65.108 48.070 1.00 0.00 H new ATOM 0 HD22 LEU B 170 59.722 65.650 46.706 1.00 0.00 H new ATOM 0 HD23 LEU B 170 59.339 63.923 46.897 1.00 0.00 H new ATOM 880 N LEU B 171 64.212 62.995 45.923 1.00 0.00 N ATOM 881 CA LEU B 171 65.274 62.924 44.913 1.00 0.00 C ATOM 882 C LEU B 171 65.314 61.539 44.235 1.00 0.00 C ATOM 883 O LEU B 171 65.246 61.488 43.021 1.00 0.00 O ATOM 884 CB LEU B 171 66.603 63.288 45.566 1.00 0.00 C ATOM 885 CG LEU B 171 67.566 63.910 44.548 1.00 0.00 C ATOM 886 CD1 LEU B 171 67.077 65.272 44.049 1.00 0.00 C ATOM 887 CD2 LEU B 171 68.936 64.049 45.192 1.00 0.00 C ATOM 0 H LEU B 171 64.557 63.216 46.857 1.00 0.00 H new ATOM 0 HA LEU B 171 65.070 63.641 44.118 1.00 0.00 H new ATOM 0 HB2 LEU B 171 66.430 63.988 46.383 1.00 0.00 H new ATOM 0 HB3 LEU B 171 67.055 62.396 46.001 1.00 0.00 H new ATOM 0 HG LEU B 171 67.619 63.254 43.679 1.00 0.00 H new ATOM 0 HD11 LEU B 171 67.791 65.674 43.330 1.00 0.00 H new ATOM 0 HD12 LEU B 171 66.105 65.156 43.569 1.00 0.00 H new ATOM 0 HD13 LEU B 171 66.986 65.957 44.892 1.00 0.00 H new ATOM 0 HD21 LEU B 171 69.631 64.491 44.478 1.00 0.00 H new ATOM 0 HD22 LEU B 171 68.862 64.691 46.070 1.00 0.00 H new ATOM 0 HD23 LEU B 171 69.299 63.066 45.491 1.00 0.00 H new ATOM 893 N SER B 172 65.227 60.466 45.026 1.00 0.00 N ATOM 894 CA SER B 172 65.096 59.067 44.545 1.00 0.00 C ATOM 895 C SER B 172 64.018 58.901 43.464 1.00 0.00 C ATOM 896 O SER B 172 64.364 58.695 42.304 1.00 0.00 O ATOM 897 CB SER B 172 64.813 58.138 45.719 1.00 0.00 C ATOM 898 OG SER B 172 64.632 56.790 45.300 1.00 0.00 O ATOM 0 H SER B 172 65.245 60.536 46.043 1.00 0.00 H new ATOM 0 HA SER B 172 66.046 58.801 44.081 1.00 0.00 H new ATOM 0 HB2 SER B 172 65.638 58.189 46.429 1.00 0.00 H new ATOM 0 HB3 SER B 172 63.920 58.478 46.243 1.00 0.00 H new ATOM 0 HG SER B 172 63.706 56.661 45.005 1.00 0.00 H new ATOM 904 N HIS B 173 62.776 59.232 43.829 1.00 0.00 N ATOM 905 CA HIS B 173 61.636 59.217 42.890 1.00 0.00 C ATOM 906 C HIS B 173 61.879 60.062 41.628 1.00 0.00 C ATOM 907 O HIS B 173 61.817 59.517 40.522 1.00 0.00 O ATOM 908 CB HIS B 173 60.347 59.637 43.605 1.00 0.00 C ATOM 909 CG HIS B 173 59.382 58.464 43.749 1.00 0.00 C ATOM 910 ND1 HIS B 173 59.517 57.400 44.538 1.00 0.00 N ATOM 911 CD2 HIS B 173 58.219 58.342 43.116 1.00 0.00 C ATOM 912 CE1 HIS B 173 58.432 56.646 44.399 1.00 0.00 C ATOM 913 NE2 HIS B 173 57.629 57.226 43.515 1.00 0.00 N ATOM 0 H HIS B 173 62.527 59.517 44.776 1.00 0.00 H new ATOM 0 HA HIS B 173 61.527 58.190 42.543 1.00 0.00 H new ATOM 0 HB2 HIS B 173 60.589 60.034 44.591 1.00 0.00 H new ATOM 0 HB3 HIS B 173 59.865 60.440 43.047 1.00 0.00 H new ATOM 0 HD2 HIS B 173 57.821 59.040 42.394 1.00 0.00 H new ATOM 0 HE1 HIS B 173 58.236 55.719 44.917 1.00 0.00 H new ATOM 0 HE2 HIS B 173 56.724 56.876 43.201 1.00 0.00 H new ATOM 918 N LEU B 174 62.358 61.289 41.808 1.00 0.00 N ATOM 919 CA LEU B 174 62.724 62.178 40.687 1.00 0.00 C ATOM 920 C LEU B 174 63.839 61.645 39.766 1.00 0.00 C ATOM 921 O LEU B 174 63.591 61.417 38.579 1.00 0.00 O ATOM 922 CB LEU B 174 63.008 63.610 41.160 1.00 0.00 C ATOM 923 CG LEU B 174 61.721 64.442 41.171 1.00 0.00 C ATOM 924 CD1 LEU B 174 60.900 64.245 42.446 1.00 0.00 C ATOM 925 CD2 LEU B 174 62.029 65.915 40.937 1.00 0.00 C ATOM 0 H LEU B 174 62.507 61.703 42.728 1.00 0.00 H new ATOM 0 HA LEU B 174 61.836 62.198 40.055 1.00 0.00 H new ATOM 0 HB2 LEU B 174 63.442 63.589 42.160 1.00 0.00 H new ATOM 0 HB3 LEU B 174 63.743 64.076 40.504 1.00 0.00 H new ATOM 0 HG LEU B 174 61.104 64.081 40.349 1.00 0.00 H new ATOM 0 HD11 LEU B 174 60.000 64.859 42.398 1.00 0.00 H new ATOM 0 HD12 LEU B 174 60.619 63.196 42.539 1.00 0.00 H new ATOM 0 HD13 LEU B 174 61.494 64.540 43.311 1.00 0.00 H new ATOM 0 HD21 LEU B 174 61.101 66.487 40.949 1.00 0.00 H new ATOM 0 HD22 LEU B 174 62.689 66.278 41.725 1.00 0.00 H new ATOM 0 HD23 LEU B 174 62.517 66.035 39.970 1.00 0.00 H new ATOM 931 N LEU B 175 64.979 61.282 40.359 1.00 0.00 N ATOM 932 CA LEU B 175 66.135 60.672 39.651 1.00 0.00 C ATOM 933 C LEU B 175 65.692 59.470 38.802 1.00 0.00 C ATOM 934 O LEU B 175 65.770 59.488 37.563 1.00 0.00 O ATOM 935 CB LEU B 175 67.208 60.171 40.628 1.00 0.00 C ATOM 936 CG LEU B 175 67.960 61.254 41.390 1.00 0.00 C ATOM 937 CD1 LEU B 175 68.902 60.598 42.406 1.00 0.00 C ATOM 938 CD2 LEU B 175 68.753 62.171 40.461 1.00 0.00 C ATOM 0 H LEU B 175 65.139 61.400 41.359 1.00 0.00 H new ATOM 0 HA LEU B 175 66.548 61.459 39.020 1.00 0.00 H new ATOM 0 HB2 LEU B 175 66.734 59.506 41.350 1.00 0.00 H new ATOM 0 HB3 LEU B 175 67.931 59.575 40.071 1.00 0.00 H new ATOM 0 HG LEU B 175 67.224 61.873 41.903 1.00 0.00 H new ATOM 0 HD11 LEU B 175 69.442 61.371 42.953 1.00 0.00 H new ATOM 0 HD12 LEU B 175 68.321 59.997 43.105 1.00 0.00 H new ATOM 0 HD13 LEU B 175 69.614 59.959 41.883 1.00 0.00 H new ATOM 0 HD21 LEU B 175 69.272 62.926 41.051 1.00 0.00 H new ATOM 0 HD22 LEU B 175 69.482 61.582 39.904 1.00 0.00 H new ATOM 0 HD23 LEU B 175 68.072 62.660 39.764 1.00 0.00 H new ATOM 944 N ALA B 176 65.029 58.553 39.491 1.00 0.00 N ATOM 945 CA ALA B 176 64.526 57.285 38.936 1.00 0.00 C ATOM 946 C ALA B 176 63.507 57.478 37.790 1.00 0.00 C ATOM 947 O ALA B 176 63.697 56.919 36.715 1.00 0.00 O ATOM 948 CB ALA B 176 63.933 56.480 40.086 1.00 0.00 C ATOM 0 H ALA B 176 64.815 58.665 40.482 1.00 0.00 H new ATOM 0 HA ALA B 176 65.356 56.748 38.478 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.550 55.532 39.707 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.705 56.288 40.832 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.119 57.043 40.543 1.00 0.00 H new ATOM 954 N ILE B 177 62.503 58.332 37.990 1.00 0.00 N ATOM 955 CA ILE B 177 61.476 58.570 36.960 1.00 0.00 C ATOM 956 C ILE B 177 62.044 59.211 35.675 1.00 0.00 C ATOM 957 O ILE B 177 61.809 58.678 34.593 1.00 0.00 O ATOM 958 CB ILE B 177 60.220 59.269 37.529 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.035 59.063 36.580 1.00 0.00 C ATOM 960 CG2 ILE B 177 60.430 60.754 37.857 1.00 0.00 C ATOM 961 CD1 ILE B 177 57.703 58.954 37.319 1.00 0.00 C ATOM 0 H ILE B 177 62.374 58.870 38.847 1.00 0.00 H new ATOM 0 HA ILE B 177 61.126 57.590 36.634 1.00 0.00 H new ATOM 0 HB ILE B 177 60.002 58.798 38.487 1.00 0.00 H new ATOM 0 HG12 ILE B 177 58.989 59.894 35.876 1.00 0.00 H new ATOM 0 HG13 ILE B 177 59.196 58.158 35.994 1.00 0.00 H new ATOM 0 HG21 ILE B 177 59.505 61.174 38.251 1.00 0.00 H new ATOM 0 HG22 ILE B 177 61.220 60.854 38.601 1.00 0.00 H new ATOM 0 HG23 ILE B 177 60.715 61.290 36.952 1.00 0.00 H new ATOM 0 HD11 ILE B 177 56.898 58.809 36.599 1.00 0.00 H new ATOM 0 HD12 ILE B 177 57.735 58.106 38.003 1.00 0.00 H new ATOM 0 HD13 ILE B 177 57.524 59.869 37.883 1.00 0.00 H new ATOM 965 N GLY B 178 62.943 60.188 35.851 1.00 0.00 N ATOM 966 CA GLY B 178 63.667 60.849 34.750 1.00 0.00 C ATOM 967 C GLY B 178 64.441 59.843 33.884 1.00 0.00 C ATOM 968 O GLY B 178 64.231 59.740 32.675 1.00 0.00 O ATOM 0 H GLY B 178 63.193 60.548 36.772 1.00 0.00 H new ATOM 0 HA2 GLY B 178 62.959 61.395 34.126 1.00 0.00 H new ATOM 0 HA3 GLY B 178 64.361 61.582 35.161 1.00 0.00 H new ATOM 972 N LEU B 179 65.209 59.011 34.589 1.00 0.00 N ATOM 973 CA LEU B 179 65.956 57.876 34.007 1.00 0.00 C ATOM 974 C LEU B 179 65.029 56.937 33.206 1.00 0.00 C ATOM 975 O LEU B 179 65.251 56.726 32.019 1.00 0.00 O ATOM 976 CB LEU B 179 66.637 57.125 35.162 1.00 0.00 C ATOM 977 CG LEU B 179 67.825 56.285 34.671 1.00 0.00 C ATOM 978 CD1 LEU B 179 69.045 57.163 34.401 1.00 0.00 C ATOM 979 CD2 LEU B 179 68.148 55.193 35.696 1.00 0.00 C ATOM 0 H LEU B 179 65.337 59.101 35.597 1.00 0.00 H new ATOM 0 HA LEU B 179 66.701 58.246 33.303 1.00 0.00 H new ATOM 0 HB2 LEU B 179 66.981 57.841 35.909 1.00 0.00 H new ATOM 0 HB3 LEU B 179 65.911 56.477 35.653 1.00 0.00 H new ATOM 0 HG LEU B 179 67.551 55.810 33.729 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.871 56.542 34.055 1.00 0.00 H new ATOM 0 HD12 LEU B 179 68.800 57.901 33.637 1.00 0.00 H new ATOM 0 HD13 LEU B 179 69.336 57.674 35.319 1.00 0.00 H new ATOM 0 HD21 LEU B 179 68.992 54.600 35.342 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.403 55.654 36.650 1.00 0.00 H new ATOM 0 HD23 LEU B 179 67.280 54.547 35.825 1.00 0.00 H new ATOM 985 N GLY B 180 63.918 56.529 33.835 1.00 0.00 N ATOM 986 CA GLY B 180 62.857 55.691 33.228 1.00 0.00 C ATOM 987 C GLY B 180 62.368 56.197 31.860 1.00 0.00 C ATOM 988 O GLY B 180 62.452 55.493 30.859 1.00 0.00 O ATOM 0 H GLY B 180 63.721 56.775 34.805 1.00 0.00 H new ATOM 0 HA2 GLY B 180 63.232 54.674 33.115 1.00 0.00 H new ATOM 0 HA3 GLY B 180 62.009 55.645 33.911 1.00 0.00 H new ATOM 992 N ILE B 181 61.957 57.465 31.830 1.00 0.00 N ATOM 993 CA ILE B 181 61.488 58.148 30.599 1.00 0.00 C ATOM 994 C ILE B 181 62.548 58.096 29.488 1.00 0.00 C ATOM 995 O ILE B 181 62.238 57.678 28.366 1.00 0.00 O ATOM 996 CB ILE B 181 61.044 59.589 30.942 1.00 0.00 C ATOM 997 CG1 ILE B 181 59.936 59.573 31.997 1.00 0.00 C ATOM 998 CG2 ILE B 181 60.519 60.322 29.704 1.00 0.00 C ATOM 999 CD1 ILE B 181 60.040 60.763 32.954 1.00 0.00 C ATOM 0 H ILE B 181 61.936 58.060 32.658 1.00 0.00 H new ATOM 0 HA ILE B 181 60.621 57.620 30.203 1.00 0.00 H new ATOM 0 HB ILE B 181 61.921 60.111 31.325 1.00 0.00 H new ATOM 0 HG12 ILE B 181 58.964 59.589 31.503 1.00 0.00 H new ATOM 0 HG13 ILE B 181 59.990 58.645 32.565 1.00 0.00 H new ATOM 0 HG21 ILE B 181 60.215 61.332 29.980 1.00 0.00 H new ATOM 0 HG22 ILE B 181 61.305 60.373 28.951 1.00 0.00 H new ATOM 0 HG23 ILE B 181 59.662 59.784 29.299 1.00 0.00 H new ATOM 0 HD11 ILE B 181 59.234 60.712 33.686 1.00 0.00 H new ATOM 0 HD12 ILE B 181 61.001 60.733 33.468 1.00 0.00 H new ATOM 0 HD13 ILE B 181 59.959 61.692 32.390 1.00 0.00 H new ATOM 1003 N TYR B 182 63.787 58.444 29.831 1.00 0.00 N ATOM 1004 CA TYR B 182 64.959 58.345 28.920 1.00 0.00 C ATOM 1005 C TYR B 182 65.084 56.952 28.276 1.00 0.00 C ATOM 1006 O TYR B 182 65.027 56.815 27.056 1.00 0.00 O ATOM 1007 CB TYR B 182 66.234 58.732 29.687 1.00 0.00 C ATOM 1008 CG TYR B 182 67.467 58.837 28.774 1.00 0.00 C ATOM 1009 CD1 TYR B 182 67.603 59.985 27.967 1.00 0.00 C ATOM 1010 CD2 TYR B 182 68.296 57.703 28.605 1.00 0.00 C ATOM 1011 CE1 TYR B 182 68.553 59.981 26.921 1.00 0.00 C ATOM 1012 CE2 TYR B 182 69.250 57.708 27.559 1.00 0.00 C ATOM 1013 CZ TYR B 182 69.349 58.841 26.727 1.00 0.00 C ATOM 1014 OH TYR B 182 70.149 58.811 25.639 1.00 0.00 O ATOM 0 H TYR B 182 64.023 58.808 30.754 1.00 0.00 H new ATOM 0 HA TYR B 182 64.813 59.043 28.095 1.00 0.00 H new ATOM 0 HB2 TYR B 182 66.076 59.687 30.188 1.00 0.00 H new ATOM 0 HB3 TYR B 182 66.424 57.992 30.464 1.00 0.00 H new ATOM 0 HD1 TYR B 182 66.989 60.856 28.146 1.00 0.00 H new ATOM 0 HD2 TYR B 182 68.203 56.850 29.261 1.00 0.00 H new ATOM 0 HE1 TYR B 182 68.665 60.843 26.280 1.00 0.00 H new ATOM 0 HE2 TYR B 182 69.893 56.855 27.401 1.00 0.00 H new ATOM 0 HH TYR B 182 70.648 57.968 25.623 1.00 0.00 H new ATOM 1019 N ILE B 183 65.070 55.924 29.137 1.00 0.00 N ATOM 1020 CA ILE B 183 65.127 54.499 28.729 1.00 0.00 C ATOM 1021 C ILE B 183 64.002 54.169 27.721 1.00 0.00 C ATOM 1022 O ILE B 183 64.287 53.794 26.585 1.00 0.00 O ATOM 1023 CB ILE B 183 65.058 53.576 29.973 1.00 0.00 C ATOM 1024 CG1 ILE B 183 66.184 53.893 30.960 1.00 0.00 C ATOM 1025 CG2 ILE B 183 65.120 52.093 29.571 1.00 0.00 C ATOM 1026 CD1 ILE B 183 65.871 53.432 32.397 1.00 0.00 C ATOM 0 H ILE B 183 65.018 56.052 30.148 1.00 0.00 H new ATOM 0 HA ILE B 183 66.079 54.320 28.229 1.00 0.00 H new ATOM 0 HB ILE B 183 64.102 53.765 30.461 1.00 0.00 H new ATOM 0 HG12 ILE B 183 67.102 53.413 30.622 1.00 0.00 H new ATOM 0 HG13 ILE B 183 66.368 54.967 30.961 1.00 0.00 H new ATOM 0 HG21 ILE B 183 65.070 51.471 30.465 1.00 0.00 H new ATOM 0 HG22 ILE B 183 64.280 51.858 28.917 1.00 0.00 H new ATOM 0 HG23 ILE B 183 66.055 51.897 29.045 1.00 0.00 H new ATOM 0 HD11 ILE B 183 66.706 53.684 33.050 1.00 0.00 H new ATOM 0 HD12 ILE B 183 64.969 53.932 32.751 1.00 0.00 H new ATOM 0 HD13 ILE B 183 65.715 52.353 32.407 1.00 0.00 H new