USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 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 -30:sc= 0.0374 USER MOD Single : A 172 SER OG : rot 70:sc= 0.631 USER MOD Single : A 173 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-3.8!) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 36:sc= 0.0754 USER MOD Single : B 172 SER OG : rot 73:sc= 0.941 USER MOD Single : B 173 HIS : no HE2:sc= -1.34! C(o=-1.3!,f=-4.2!) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -4.815 8.768 -1.789 1.00 0.76 N ATOM 223 CA SER A 168 -4.097 8.360 -0.588 1.00 0.70 C ATOM 224 C SER A 168 -3.474 6.979 -0.775 1.00 0.57 C ATOM 225 O SER A 168 -2.337 6.742 -0.368 1.00 0.51 O ATOM 226 CB SER A 168 -5.040 8.350 0.617 1.00 0.82 C ATOM 227 OG SER A 168 -6.100 7.429 0.430 1.00 1.39 O ATOM 0 HA SER A 168 -3.298 9.079 -0.407 1.00 0.70 H new ATOM 0 HB2 SER A 168 -4.482 8.089 1.516 1.00 0.82 H new ATOM 0 HB3 SER A 168 -5.446 9.349 0.773 1.00 0.82 H new ATOM 0 HG SER A 168 -6.306 7.357 -0.525 1.00 1.39 H new ATOM 233 N LEU A 169 -4.226 6.073 -1.391 1.00 0.58 N ATOM 234 CA LEU A 169 -3.745 4.716 -1.629 1.00 0.51 C ATOM 235 C LEU A 169 -2.438 4.726 -2.416 1.00 0.41 C ATOM 236 O LEU A 169 -1.471 4.066 -2.037 1.00 0.36 O ATOM 237 CB LEU A 169 -4.797 3.899 -2.380 1.00 0.64 C ATOM 238 CG LEU A 169 -6.123 3.712 -1.640 1.00 0.77 C ATOM 239 CD1 LEU A 169 -7.036 2.772 -2.411 1.00 1.07 C ATOM 240 CD2 LEU A 169 -5.876 3.188 -0.233 1.00 0.81 C ATOM 0 H LEU A 169 -5.170 6.253 -1.734 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.560 4.254 -0.659 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -4.997 4.384 -3.335 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -4.381 2.916 -2.602 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.617 4.681 -1.564 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -7.974 2.651 -1.870 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -7.238 3.189 -3.398 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -6.552 1.802 -2.519 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -6.829 3.060 0.280 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -5.362 2.229 -0.287 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -5.260 3.899 0.317 1.00 0.81 H new ATOM 252 N LEU A 170 -2.413 5.479 -3.513 1.00 0.46 N ATOM 253 CA LEU A 170 -1.217 5.564 -4.346 1.00 0.47 C ATOM 254 C LEU A 170 -0.031 6.079 -3.538 1.00 0.38 C ATOM 255 O LEU A 170 1.056 5.501 -3.577 1.00 0.39 O ATOM 256 CB LEU A 170 -1.460 6.469 -5.556 1.00 0.60 C ATOM 257 CG LEU A 170 -2.364 5.880 -6.643 1.00 0.73 C ATOM 258 CD1 LEU A 170 -3.774 5.672 -6.118 1.00 0.88 C ATOM 259 CD2 LEU A 170 -2.378 6.781 -7.869 1.00 1.12 C ATOM 0 H LEU A 170 -3.201 6.035 -3.844 1.00 0.46 H new ATOM 0 HA LEU A 170 -0.986 4.560 -4.703 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -1.900 7.403 -5.208 1.00 0.60 H new ATOM 0 HB3 LEU A 170 -0.497 6.717 -6.002 1.00 0.60 H new ATOM 0 HG LEU A 170 -1.962 4.909 -6.932 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -4.398 5.253 -6.907 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -3.750 4.985 -5.272 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -4.188 6.628 -5.798 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -3.025 6.348 -8.632 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -2.753 7.766 -7.592 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -1.366 6.875 -8.263 1.00 1.12 H new ATOM 271 N LEU A 171 -0.245 7.166 -2.805 1.00 0.36 N ATOM 272 CA LEU A 171 0.809 7.749 -1.984 1.00 0.37 C ATOM 273 C LEU A 171 1.367 6.714 -1.012 1.00 0.32 C ATOM 274 O LEU A 171 2.581 6.570 -0.871 1.00 0.35 O ATOM 275 CB LEU A 171 0.278 8.960 -1.214 1.00 0.44 C ATOM 276 CG LEU A 171 -0.081 10.171 -2.078 1.00 0.54 C ATOM 277 CD1 LEU A 171 -0.689 11.275 -1.227 1.00 0.64 C ATOM 278 CD2 LEU A 171 1.147 10.682 -2.817 1.00 0.62 C ATOM 0 H LEU A 171 -1.136 7.660 -2.763 1.00 0.36 H new ATOM 0 HA LEU A 171 1.613 8.077 -2.643 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -0.607 8.656 -0.655 1.00 0.44 H new ATOM 0 HB3 LEU A 171 1.027 9.264 -0.483 1.00 0.44 H new ATOM 0 HG LEU A 171 -0.821 9.859 -2.815 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -0.937 12.127 -1.860 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -1.594 10.906 -0.744 1.00 0.64 H new ATOM 0 HD13 LEU A 171 0.028 11.585 -0.466 1.00 0.64 H new ATOM 0 HD21 LEU A 171 0.873 11.543 -3.426 1.00 0.62 H new ATOM 0 HD22 LEU A 171 1.910 10.976 -2.096 1.00 0.62 H new ATOM 0 HD23 LEU A 171 1.540 9.893 -3.459 1.00 0.62 H new ATOM 290 N SER A 172 0.470 5.992 -0.346 1.00 0.28 N ATOM 291 CA SER A 172 0.873 4.966 0.609 1.00 0.29 C ATOM 292 C SER A 172 1.837 3.976 -0.036 1.00 0.25 C ATOM 293 O SER A 172 2.917 3.713 0.493 1.00 0.27 O ATOM 294 CB SER A 172 -0.356 4.226 1.142 1.00 0.35 C ATOM 295 OG SER A 172 -1.237 5.114 1.808 1.00 0.42 O ATOM 0 H SER A 172 -0.539 6.099 -0.450 1.00 0.28 H new ATOM 0 HA SER A 172 1.382 5.455 1.440 1.00 0.29 H new ATOM 0 HB2 SER A 172 -0.878 3.741 0.317 1.00 0.35 H new ATOM 0 HB3 SER A 172 -0.042 3.439 1.827 1.00 0.35 H new ATOM 0 HG SER A 172 -1.658 5.709 1.153 1.00 0.42 H new ATOM 301 N HIS A 173 1.439 3.432 -1.182 1.00 0.23 N ATOM 302 CA HIS A 173 2.273 2.478 -1.902 1.00 0.24 C ATOM 303 C HIS A 173 3.670 3.045 -2.122 1.00 0.22 C ATOM 304 O HIS A 173 4.672 2.376 -1.865 1.00 0.24 O ATOM 305 CB HIS A 173 1.634 2.121 -3.245 1.00 0.31 C ATOM 306 CG HIS A 173 0.340 1.378 -3.115 1.00 0.37 C ATOM 307 ND1 HIS A 173 -0.890 1.954 -3.358 1.00 0.42 N ATOM 308 CD2 HIS A 173 0.088 0.092 -2.770 1.00 0.52 C ATOM 309 CE1 HIS A 173 -1.841 1.056 -3.167 1.00 0.48 C ATOM 310 NE2 HIS A 173 -1.273 -0.081 -2.811 1.00 0.53 N ATOM 0 H HIS A 173 0.546 3.635 -1.631 1.00 0.23 H new ATOM 0 HA HIS A 173 2.356 1.573 -1.300 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.462 3.037 -3.811 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.334 1.516 -3.822 1.00 0.31 H new ATOM 0 HD1 HIS A 173 -1.042 2.922 -3.641 1.00 0.42 H new ATOM 0 HD2 HIS A 173 0.821 -0.657 -2.511 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -2.902 1.224 -3.283 1.00 0.48 H new ATOM 319 N LEU A 174 3.728 4.284 -2.599 1.00 0.22 N ATOM 320 CA LEU A 174 5.002 4.948 -2.850 1.00 0.26 C ATOM 321 C LEU A 174 5.798 5.084 -1.557 1.00 0.24 C ATOM 322 O LEU A 174 6.988 4.769 -1.511 1.00 0.29 O ATOM 323 CB LEU A 174 4.772 6.329 -3.468 1.00 0.31 C ATOM 324 CG LEU A 174 3.993 6.333 -4.784 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.857 7.751 -5.316 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.674 5.439 -5.809 1.00 0.42 C ATOM 0 H LEU A 174 2.908 4.849 -2.820 1.00 0.22 H new ATOM 0 HA LEU A 174 5.572 4.338 -3.551 1.00 0.26 H new ATOM 0 HB2 LEU A 174 4.238 6.948 -2.747 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.741 6.800 -3.636 1.00 0.31 H new ATOM 0 HG LEU A 174 2.994 5.939 -4.596 1.00 0.36 H new ATOM 0 HD11 LEU A 174 3.300 7.736 -6.253 1.00 0.42 H new ATOM 0 HD12 LEU A 174 3.326 8.363 -4.588 1.00 0.42 H new ATOM 0 HD13 LEU A 174 4.848 8.171 -5.489 1.00 0.42 H new ATOM 0 HD21 LEU A 174 4.106 5.454 -6.739 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.685 5.803 -5.995 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.720 4.419 -5.428 1.00 0.42 H new ATOM 338 N LEU A 175 5.131 5.556 -0.508 1.00 0.23 N ATOM 339 CA LEU A 175 5.772 5.733 0.789 1.00 0.27 C ATOM 340 C LEU A 175 6.364 4.417 1.282 1.00 0.24 C ATOM 341 O LEU A 175 7.488 4.380 1.783 1.00 0.27 O ATOM 342 CB LEU A 175 4.766 6.273 1.808 1.00 0.32 C ATOM 343 CG LEU A 175 4.247 7.682 1.516 1.00 0.37 C ATOM 344 CD1 LEU A 175 3.154 8.064 2.502 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.388 8.688 1.564 1.00 0.46 C ATOM 0 H LEU A 175 4.147 5.823 -0.532 1.00 0.23 H new ATOM 0 HA LEU A 175 6.581 6.454 0.676 1.00 0.27 H new ATOM 0 HB2 LEU A 175 3.917 5.591 1.855 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.232 6.270 2.793 1.00 0.32 H new ATOM 0 HG LEU A 175 3.820 7.692 0.513 1.00 0.37 H new ATOM 0 HD11 LEU A 175 2.797 9.069 2.278 1.00 0.46 H new ATOM 0 HD12 LEU A 175 2.327 7.359 2.420 1.00 0.46 H new ATOM 0 HD13 LEU A 175 3.553 8.038 3.516 1.00 0.46 H new ATOM 0 HD21 LEU A 175 5.002 9.686 1.354 1.00 0.46 H new ATOM 0 HD22 LEU A 175 5.843 8.676 2.555 1.00 0.46 H new ATOM 0 HD23 LEU A 175 6.137 8.424 0.818 1.00 0.46 H new ATOM 357 N ALA A 176 5.602 3.337 1.137 1.00 0.21 N ATOM 358 CA ALA A 176 6.060 2.022 1.561 1.00 0.21 C ATOM 359 C ALA A 176 7.397 1.688 0.909 1.00 0.19 C ATOM 360 O ALA A 176 8.364 1.328 1.585 1.00 0.21 O ATOM 361 CB ALA A 176 5.020 0.965 1.224 1.00 0.21 C ATOM 0 H ALA A 176 4.667 3.348 0.730 1.00 0.21 H new ATOM 0 HA ALA A 176 6.200 2.034 2.642 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.377 -0.013 1.547 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.086 1.197 1.735 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.850 0.952 0.147 1.00 0.21 H new ATOM 367 N ILE A 177 7.445 1.813 -0.416 1.00 0.18 N ATOM 368 CA ILE A 177 8.667 1.542 -1.159 1.00 0.20 C ATOM 369 C ILE A 177 9.802 2.410 -0.629 1.00 0.21 C ATOM 370 O ILE A 177 10.932 1.948 -0.475 1.00 0.23 O ATOM 371 CB ILE A 177 8.485 1.810 -2.666 1.00 0.23 C ATOM 372 CG1 ILE A 177 7.351 0.951 -3.227 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.783 1.536 -3.415 1.00 0.27 C ATOM 374 CD1 ILE A 177 7.121 1.147 -4.710 1.00 0.47 C ATOM 0 H ILE A 177 6.654 2.099 -0.992 1.00 0.18 H new ATOM 0 HA ILE A 177 8.908 0.488 -1.024 1.00 0.20 H new ATOM 0 HB ILE A 177 8.223 2.859 -2.803 1.00 0.23 H new ATOM 0 HG12 ILE A 177 7.574 -0.099 -3.038 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.431 1.183 -2.691 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.638 1.730 -4.478 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.569 2.187 -3.031 1.00 0.27 H new ATOM 0 HG23 ILE A 177 10.073 0.495 -3.272 1.00 0.27 H new ATOM 0 HD11 ILE A 177 6.303 0.507 -5.039 1.00 0.47 H new ATOM 0 HD12 ILE A 177 6.867 2.189 -4.904 1.00 0.47 H new ATOM 0 HD13 ILE A 177 8.028 0.887 -5.256 1.00 0.47 H new ATOM 386 N GLY A 178 9.487 3.673 -0.356 1.00 0.20 N ATOM 387 CA GLY A 178 10.483 4.586 0.168 1.00 0.23 C ATOM 388 C GLY A 178 11.152 4.032 1.405 1.00 0.22 C ATOM 389 O GLY A 178 12.375 4.080 1.535 1.00 0.23 O ATOM 0 H GLY A 178 8.561 4.078 -0.489 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.235 4.782 -0.596 1.00 0.23 H new ATOM 0 HA3 GLY A 178 10.013 5.541 0.405 1.00 0.23 H new ATOM 393 N LEU A 179 10.345 3.503 2.320 1.00 0.21 N ATOM 394 CA LEU A 179 10.865 2.923 3.549 1.00 0.23 C ATOM 395 C LEU A 179 11.868 1.826 3.220 1.00 0.21 C ATOM 396 O LEU A 179 12.991 1.821 3.726 1.00 0.24 O ATOM 397 CB LEU A 179 9.725 2.356 4.399 1.00 0.27 C ATOM 398 CG LEU A 179 8.609 3.348 4.734 1.00 0.30 C ATOM 399 CD1 LEU A 179 7.565 2.694 5.626 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.183 4.590 5.402 1.00 0.36 C ATOM 0 H LEU A 179 9.330 3.465 2.232 1.00 0.21 H new ATOM 0 HA LEU A 179 11.366 3.705 4.120 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.289 1.506 3.874 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.142 1.975 5.331 1.00 0.27 H new ATOM 0 HG LEU A 179 8.125 3.650 3.805 1.00 0.30 H new ATOM 0 HD11 LEU A 179 6.779 3.414 5.854 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.133 1.836 5.111 1.00 0.36 H new ATOM 0 HD13 LEU A 179 8.034 2.363 6.553 1.00 0.36 H new ATOM 0 HD21 LEU A 179 8.376 5.285 5.633 1.00 0.36 H new ATOM 0 HD22 LEU A 179 9.692 4.306 6.323 1.00 0.36 H new ATOM 0 HD23 LEU A 179 9.893 5.070 4.729 1.00 0.36 H new ATOM 412 N GLY A 180 11.454 0.897 2.362 1.00 0.20 N ATOM 413 CA GLY A 180 12.335 -0.187 1.968 1.00 0.23 C ATOM 414 C GLY A 180 13.667 0.331 1.464 1.00 0.24 C ATOM 415 O GLY A 180 14.721 -0.205 1.806 1.00 0.28 O ATOM 0 H GLY A 180 10.528 0.876 1.935 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.500 -0.850 2.818 1.00 0.23 H new ATOM 0 HA3 GLY A 180 11.857 -0.780 1.189 1.00 0.23 H new ATOM 419 N ILE A 181 13.613 1.377 0.647 1.00 0.26 N ATOM 420 CA ILE A 181 14.818 1.984 0.100 1.00 0.32 C ATOM 421 C ILE A 181 15.692 2.536 1.221 1.00 0.33 C ATOM 422 O ILE A 181 16.914 2.390 1.203 1.00 0.34 O ATOM 423 CB ILE A 181 14.474 3.121 -0.885 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.639 2.582 -2.048 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.740 3.789 -1.403 1.00 0.52 C ATOM 426 CD1 ILE A 181 14.424 1.702 -2.995 1.00 0.90 C ATOM 0 H ILE A 181 12.745 1.822 0.349 1.00 0.26 H new ATOM 0 HA ILE A 181 15.362 1.208 -0.438 1.00 0.32 H new ATOM 0 HB ILE A 181 13.888 3.870 -0.353 1.00 0.41 H new ATOM 0 HG12 ILE A 181 12.798 2.014 -1.649 1.00 0.47 H new ATOM 0 HG13 ILE A 181 13.222 3.421 -2.605 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.473 4.587 -2.096 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.299 4.207 -0.566 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.355 3.052 -1.919 1.00 0.52 H new ATOM 0 HD11 ILE A 181 13.770 1.355 -3.795 1.00 0.90 H new ATOM 0 HD12 ILE A 181 15.249 2.272 -3.422 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.819 0.844 -2.451 1.00 0.90 H new ATOM 438 N TYR A 182 15.050 3.170 2.197 1.00 0.35 N ATOM 439 CA TYR A 182 15.759 3.744 3.334 1.00 0.42 C ATOM 440 C TYR A 182 16.668 2.706 3.981 1.00 0.40 C ATOM 441 O TYR A 182 17.848 2.963 4.221 1.00 0.46 O ATOM 442 CB TYR A 182 14.760 4.278 4.361 1.00 0.49 C ATOM 443 CG TYR A 182 15.408 4.978 5.535 1.00 0.62 C ATOM 444 CD1 TYR A 182 15.828 6.299 5.435 1.00 1.34 C ATOM 445 CD2 TYR A 182 15.597 4.319 6.744 1.00 1.16 C ATOM 446 CE1 TYR A 182 16.420 6.943 6.505 1.00 1.44 C ATOM 447 CE2 TYR A 182 16.188 4.956 7.818 1.00 1.25 C ATOM 448 CZ TYR A 182 16.597 6.267 7.694 1.00 0.93 C ATOM 449 OH TYR A 182 17.185 6.904 8.763 1.00 1.09 O ATOM 0 H TYR A 182 14.039 3.299 2.223 1.00 0.35 H new ATOM 0 HA TYR A 182 16.376 4.568 2.975 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.080 4.972 3.866 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.156 3.450 4.732 1.00 0.49 H new ATOM 0 HD1 TYR A 182 15.689 6.831 4.506 1.00 1.34 H new ATOM 0 HD2 TYR A 182 15.277 3.293 6.845 1.00 1.16 H new ATOM 0 HE1 TYR A 182 16.742 7.970 6.411 1.00 1.44 H new ATOM 0 HE2 TYR A 182 16.329 4.430 8.750 1.00 1.25 H new ATOM 0 HH TYR A 182 17.234 6.288 9.524 1.00 1.09 H new ATOM 459 N ILE A 183 16.111 1.533 4.263 1.00 0.36 N ATOM 460 CA ILE A 183 16.877 0.457 4.882 1.00 0.42 C ATOM 461 C ILE A 183 18.022 0.018 3.965 1.00 0.41 C ATOM 462 O ILE A 183 19.147 -0.192 4.416 1.00 0.46 O ATOM 463 CB ILE A 183 15.975 -0.759 5.228 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.991 -0.400 6.346 1.00 0.56 C ATOM 465 CG2 ILE A 183 16.812 -1.967 5.644 1.00 0.58 C ATOM 466 CD1 ILE A 183 13.808 0.427 5.887 1.00 0.80 C ATOM 0 H ILE A 183 15.135 1.303 4.074 1.00 0.36 H new ATOM 0 HA ILE A 183 17.293 0.843 5.812 1.00 0.42 H new ATOM 0 HB ILE A 183 15.415 -1.020 4.330 1.00 0.47 H new ATOM 0 HG12 ILE A 183 14.623 -1.320 6.801 1.00 0.56 H new ATOM 0 HG13 ILE A 183 15.524 0.148 7.123 1.00 0.56 H new ATOM 0 HG21 ILE A 183 16.153 -2.802 5.880 1.00 0.58 H new ATOM 0 HG22 ILE A 183 17.476 -2.248 4.827 1.00 0.58 H new ATOM 0 HG23 ILE A 183 17.405 -1.713 6.523 1.00 0.58 H new ATOM 0 HD11 ILE A 183 13.160 0.638 6.738 1.00 0.80 H new ATOM 0 HD12 ILE A 183 14.163 1.365 5.460 1.00 0.80 H new ATOM 0 HD13 ILE A 183 13.248 -0.126 5.133 1.00 0.80 H new ATOM 478 N GLY A 184 17.721 -0.123 2.678 1.00 0.39 N ATOM 479 CA GLY A 184 18.732 -0.534 1.718 1.00 0.46 C ATOM 480 C GLY A 184 19.876 0.458 1.604 1.00 0.50 C ATOM 481 O GLY A 184 21.044 0.080 1.689 1.00 0.55 O ATOM 0 H GLY A 184 16.795 0.040 2.282 1.00 0.39 H new ATOM 0 HA2 GLY A 184 19.129 -1.507 2.010 1.00 0.46 H new ATOM 0 HA3 GLY A 184 18.268 -0.659 0.740 1.00 0.46 H new ATOM 485 N ARG A 185 19.541 1.728 1.407 1.00 0.53 N ATOM 486 CA ARG A 185 20.550 2.774 1.274 1.00 0.65 C ATOM 487 C ARG A 185 21.507 2.775 2.463 1.00 0.67 C ATOM 488 O ARG A 185 22.664 3.179 2.337 1.00 0.76 O ATOM 489 CB ARG A 185 19.881 4.141 1.148 1.00 0.76 C ATOM 490 CG ARG A 185 19.014 4.500 2.335 1.00 0.72 C ATOM 491 CD ARG A 185 18.664 5.976 2.345 1.00 0.81 C ATOM 492 NE ARG A 185 19.857 6.799 2.438 1.00 1.27 N ATOM 493 CZ ARG A 185 19.839 8.125 2.523 1.00 1.59 C ATOM 494 NH1 ARG A 185 18.685 8.776 2.531 1.00 1.66 N ATOM 495 NH2 ARG A 185 20.977 8.802 2.602 1.00 2.24 N ATOM 0 H ARG A 185 18.579 2.059 1.336 1.00 0.53 H new ATOM 0 HA ARG A 185 21.126 2.569 0.371 1.00 0.65 H new ATOM 0 HB2 ARG A 185 20.650 4.903 1.026 1.00 0.76 H new ATOM 0 HB3 ARG A 185 19.271 4.156 0.245 1.00 0.76 H new ATOM 0 HG2 ARG A 185 18.099 3.909 2.310 1.00 0.72 H new ATOM 0 HG3 ARG A 185 19.534 4.243 3.257 1.00 0.72 H new ATOM 0 HD2 ARG A 185 18.115 6.228 1.438 1.00 0.81 H new ATOM 0 HD3 ARG A 185 18.005 6.190 3.186 1.00 0.81 H new ATOM 0 HE ARG A 185 20.763 6.331 2.438 1.00 1.27 H new ATOM 0 HH11 ARG A 185 17.808 8.259 2.472 1.00 1.66 H new ATOM 0 HH12 ARG A 185 18.674 9.794 2.596 1.00 1.66 H new ATOM 0 HH21 ARG A 185 21.868 8.305 2.598 1.00 2.24 H new ATOM 0 HH22 ARG A 185 20.961 9.820 2.667 1.00 2.24 H new ATOM 509 N ARG A 186 21.024 2.324 3.615 1.00 0.63 N ATOM 510 CA ARG A 186 21.848 2.282 4.818 1.00 0.73 C ATOM 511 C ARG A 186 22.456 0.897 5.017 1.00 0.74 C ATOM 512 O ARG A 186 22.587 0.422 6.144 1.00 0.86 O ATOM 513 CB ARG A 186 21.021 2.670 6.048 1.00 0.81 C ATOM 514 CG ARG A 186 19.951 1.653 6.411 1.00 1.80 C ATOM 515 CD ARG A 186 19.265 2.014 7.720 1.00 2.20 C ATOM 516 NE ARG A 186 18.403 0.938 8.205 1.00 2.90 N ATOM 517 CZ ARG A 186 17.727 0.999 9.347 1.00 3.61 C ATOM 518 NH1 ARG A 186 17.799 2.083 10.107 1.00 3.86 N ATOM 519 NH2 ARG A 186 16.976 -0.026 9.729 1.00 4.48 N ATOM 0 H ARG A 186 20.071 1.984 3.742 1.00 0.63 H new ATOM 0 HA ARG A 186 22.658 3.000 4.693 1.00 0.73 H new ATOM 0 HB2 ARG A 186 21.690 2.799 6.899 1.00 0.81 H new ATOM 0 HB3 ARG A 186 20.546 3.634 5.866 1.00 0.81 H new ATOM 0 HG2 ARG A 186 19.211 1.600 5.613 1.00 1.80 H new ATOM 0 HG3 ARG A 186 20.400 0.663 6.495 1.00 1.80 H new ATOM 0 HD2 ARG A 186 20.019 2.241 8.473 1.00 2.20 H new ATOM 0 HD3 ARG A 186 18.672 2.918 7.581 1.00 2.20 H new ATOM 0 HE ARG A 186 18.316 0.096 7.637 1.00 2.90 H new ATOM 0 HH11 ARG A 186 18.375 2.873 9.815 1.00 3.86 H new ATOM 0 HH12 ARG A 186 17.279 2.127 10.983 1.00 3.86 H new ATOM 0 HH21 ARG A 186 16.918 -0.861 9.146 1.00 4.48 H new ATOM 0 HH22 ARG A 186 16.457 0.021 10.606 1.00 4.48 H new ATOM 533 N LEU A 187 22.828 0.253 3.913 1.00 0.73 N ATOM 534 CA LEU A 187 23.424 -1.077 3.968 1.00 0.84 C ATOM 535 C LEU A 187 24.946 -0.994 4.034 1.00 1.03 C ATOM 536 O LEU A 187 25.580 -1.679 4.837 1.00 1.21 O ATOM 537 CB LEU A 187 22.999 -1.903 2.752 1.00 0.83 C ATOM 538 CG LEU A 187 21.567 -2.441 2.798 1.00 0.78 C ATOM 539 CD1 LEU A 187 21.176 -3.029 1.450 1.00 0.90 C ATOM 540 CD2 LEU A 187 21.425 -3.485 3.896 1.00 0.98 C ATOM 0 H LEU A 187 22.727 0.631 2.971 1.00 0.73 H new ATOM 0 HA LEU A 187 23.067 -1.567 4.874 1.00 0.84 H new ATOM 0 HB2 LEU A 187 23.111 -1.289 1.859 1.00 0.83 H new ATOM 0 HB3 LEU A 187 23.683 -2.745 2.648 1.00 0.83 H new ATOM 0 HG LEU A 187 20.894 -1.613 3.021 1.00 0.78 H new ATOM 0 HD11 LEU A 187 20.155 -3.407 1.500 1.00 0.90 H new ATOM 0 HD12 LEU A 187 21.240 -2.256 0.684 1.00 0.90 H new ATOM 0 HD13 LEU A 187 21.853 -3.845 1.199 1.00 0.90 H new ATOM 0 HD21 LEU A 187 20.400 -3.857 3.914 1.00 0.98 H new ATOM 0 HD22 LEU A 187 22.108 -4.312 3.702 1.00 0.98 H new ATOM 0 HD23 LEU A 187 21.665 -3.035 4.859 1.00 0.98 H new ATOM 789 N SER B 168 -6.333 -6.812 1.946 1.00 0.84 N ATOM 790 CA SER B 168 -5.528 -6.520 0.765 1.00 0.77 C ATOM 791 C SER B 168 -4.617 -5.321 1.010 1.00 0.60 C ATOM 792 O SER B 168 -3.436 -5.345 0.663 1.00 0.54 O ATOM 793 CB SER B 168 -6.431 -6.248 -0.440 1.00 0.90 C ATOM 794 OG SER B 168 -7.269 -7.359 -0.711 1.00 1.54 O ATOM 0 HA SER B 168 -4.907 -7.391 0.557 1.00 0.77 H new ATOM 0 HB2 SER B 168 -7.042 -5.366 -0.249 1.00 0.90 H new ATOM 0 HB3 SER B 168 -5.819 -6.028 -1.315 1.00 0.90 H new ATOM 0 HG SER B 168 -7.544 -7.775 0.133 1.00 1.54 H new ATOM 800 N LEU B 169 -5.173 -4.276 1.611 1.00 0.60 N ATOM 801 CA LEU B 169 -4.414 -3.066 1.903 1.00 0.52 C ATOM 802 C LEU B 169 -3.150 -3.385 2.695 1.00 0.44 C ATOM 803 O LEU B 169 -2.060 -2.924 2.353 1.00 0.37 O ATOM 804 CB LEU B 169 -5.280 -2.074 2.682 1.00 0.63 C ATOM 805 CG LEU B 169 -6.487 -1.530 1.918 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.315 -0.614 2.806 1.00 0.86 C ATOM 807 CD2 LEU B 169 -6.036 -0.793 0.666 1.00 0.76 C ATOM 0 H LEU B 169 -6.149 -4.242 1.906 1.00 0.60 H new ATOM 0 HA LEU B 169 -4.118 -2.618 0.954 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.634 -2.560 3.591 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -4.656 -1.235 2.991 1.00 0.63 H new ATOM 0 HG LEU B 169 -7.111 -2.372 1.618 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -8.169 -0.237 2.244 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -7.669 -1.171 3.674 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -6.701 0.223 3.138 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -6.908 -0.412 0.134 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -5.390 0.039 0.946 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -5.486 -1.477 0.019 1.00 0.76 H new ATOM 819 N LEU B 170 -3.300 -4.180 3.749 1.00 0.51 N ATOM 820 CA LEU B 170 -2.168 -4.553 4.592 1.00 0.52 C ATOM 821 C LEU B 170 -1.113 -5.316 3.795 1.00 0.44 C ATOM 822 O LEU B 170 0.067 -4.967 3.819 1.00 0.40 O ATOM 823 CB LEU B 170 -2.635 -5.395 5.782 1.00 0.67 C ATOM 824 CG LEU B 170 -3.407 -4.631 6.862 1.00 0.80 C ATOM 825 CD1 LEU B 170 -4.713 -4.085 6.308 1.00 0.86 C ATOM 826 CD2 LEU B 170 -3.671 -5.530 8.062 1.00 0.93 C ATOM 0 H LEU B 170 -4.193 -4.578 4.040 1.00 0.51 H new ATOM 0 HA LEU B 170 -1.717 -3.633 4.965 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -3.266 -6.202 5.410 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -1.763 -5.859 6.242 1.00 0.67 H new ATOM 0 HG LEU B 170 -2.797 -3.788 7.187 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -5.244 -3.546 7.093 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -4.502 -3.407 5.481 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.330 -4.910 5.952 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -4.220 -4.972 8.821 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -4.259 -6.392 7.748 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -2.722 -5.870 8.478 1.00 0.93 H new ATOM 838 N LEU B 171 -1.543 -6.356 3.089 1.00 0.45 N ATOM 839 CA LEU B 171 -0.628 -7.166 2.291 1.00 0.45 C ATOM 840 C LEU B 171 0.128 -6.309 1.279 1.00 0.37 C ATOM 841 O LEU B 171 1.345 -6.429 1.136 1.00 0.38 O ATOM 842 CB LEU B 171 -1.392 -8.276 1.566 1.00 0.54 C ATOM 843 CG LEU B 171 -2.057 -9.305 2.482 1.00 0.65 C ATOM 844 CD1 LEU B 171 -2.700 -10.414 1.663 1.00 0.74 C ATOM 845 CD2 LEU B 171 -1.044 -9.882 3.457 1.00 0.74 C ATOM 0 H LEU B 171 -2.517 -6.658 3.053 1.00 0.45 H new ATOM 0 HA LEU B 171 0.097 -7.615 2.969 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -2.159 -7.820 0.939 1.00 0.54 H new ATOM 0 HB3 LEU B 171 -0.703 -8.796 0.900 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.838 -8.803 3.053 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -3.168 -11.136 2.332 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -3.456 -9.988 1.004 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -1.938 -10.914 1.066 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -1.534 -10.612 4.101 1.00 0.74 H new ATOM 0 HD22 LEU B 171 -0.241 -10.368 2.902 1.00 0.74 H new ATOM 0 HD23 LEU B 171 -0.629 -9.080 4.068 1.00 0.74 H new ATOM 857 N SER B 172 -0.599 -5.442 0.582 1.00 0.32 N ATOM 858 CA SER B 172 0.006 -4.568 -0.418 1.00 0.31 C ATOM 859 C SER B 172 1.146 -3.752 0.184 1.00 0.26 C ATOM 860 O SER B 172 2.244 -3.701 -0.372 1.00 0.30 O ATOM 861 CB SER B 172 -1.047 -3.632 -1.012 1.00 0.33 C ATOM 862 OG SER B 172 -2.096 -4.365 -1.621 1.00 0.40 O ATOM 0 H SER B 172 -1.606 -5.325 0.691 1.00 0.32 H new ATOM 0 HA SER B 172 0.414 -5.196 -1.210 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.453 -2.993 -0.228 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.582 -2.977 -1.748 1.00 0.33 H new ATOM 0 HG SER B 172 -2.656 -4.773 -0.928 1.00 0.40 H new ATOM 868 N HIS B 173 0.879 -3.114 1.318 1.00 0.22 N ATOM 869 CA HIS B 173 1.885 -2.300 1.991 1.00 0.23 C ATOM 870 C HIS B 173 3.147 -3.110 2.274 1.00 0.23 C ATOM 871 O HIS B 173 4.252 -2.691 1.932 1.00 0.25 O ATOM 872 CB HIS B 173 1.325 -1.730 3.296 1.00 0.28 C ATOM 873 CG HIS B 173 0.258 -0.699 3.087 1.00 0.28 C ATOM 874 ND1 HIS B 173 -1.055 -0.888 3.461 1.00 0.34 N ATOM 875 CD2 HIS B 173 0.319 0.539 2.543 1.00 0.36 C ATOM 876 CE1 HIS B 173 -1.757 0.189 3.153 1.00 0.35 C ATOM 877 NE2 HIS B 173 -0.946 1.070 2.596 1.00 0.36 N ATOM 0 H HIS B 173 -0.025 -3.144 1.790 1.00 0.22 H new ATOM 0 HA HIS B 173 2.148 -1.476 1.328 1.00 0.23 H new ATOM 0 HB2 HIS B 173 0.919 -2.545 3.895 1.00 0.28 H new ATOM 0 HB3 HIS B 173 2.140 -1.288 3.869 1.00 0.28 H new ATOM 0 HD1 HIS B 173 -1.427 -1.727 3.906 1.00 0.34 H new ATOM 0 HD2 HIS B 173 1.199 1.020 2.142 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -2.814 0.325 3.327 1.00 0.35 H new ATOM 886 N LEU B 174 2.977 -4.270 2.900 1.00 0.24 N ATOM 887 CA LEU B 174 4.107 -5.132 3.229 1.00 0.27 C ATOM 888 C LEU B 174 4.972 -5.389 2.000 1.00 0.23 C ATOM 889 O LEU B 174 6.187 -5.197 2.031 1.00 0.24 O ATOM 890 CB LEU B 174 3.617 -6.461 3.808 1.00 0.33 C ATOM 891 CG LEU B 174 2.872 -6.353 5.139 1.00 0.40 C ATOM 892 CD1 LEU B 174 2.560 -7.736 5.690 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.688 -5.550 6.140 1.00 0.47 C ATOM 0 H LEU B 174 2.069 -4.635 3.189 1.00 0.24 H new ATOM 0 HA LEU B 174 4.712 -4.620 3.978 1.00 0.27 H new ATOM 0 HB2 LEU B 174 2.961 -6.937 3.080 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.475 -7.120 3.942 1.00 0.33 H new ATOM 0 HG LEU B 174 1.930 -5.833 4.966 1.00 0.40 H new ATOM 0 HD11 LEU B 174 2.030 -7.639 6.637 1.00 0.48 H new ATOM 0 HD12 LEU B 174 1.937 -8.279 4.979 1.00 0.48 H new ATOM 0 HD13 LEU B 174 3.490 -8.283 5.849 1.00 0.48 H new ATOM 0 HD21 LEU B 174 3.144 -5.482 7.082 1.00 0.47 H new ATOM 0 HD22 LEU B 174 4.645 -6.044 6.308 1.00 0.47 H new ATOM 0 HD23 LEU B 174 3.861 -4.548 5.748 1.00 0.47 H new ATOM 905 N LEU B 175 4.336 -5.824 0.917 1.00 0.22 N ATOM 906 CA LEU B 175 5.045 -6.109 -0.324 1.00 0.23 C ATOM 907 C LEU B 175 5.725 -4.853 -0.865 1.00 0.21 C ATOM 908 O LEU B 175 6.861 -4.904 -1.334 1.00 0.23 O ATOM 909 CB LEU B 175 4.081 -6.677 -1.367 1.00 0.27 C ATOM 910 CG LEU B 175 3.334 -7.942 -0.936 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.421 -8.429 -2.049 1.00 0.38 C ATOM 912 CD2 LEU B 175 4.319 -9.030 -0.537 1.00 0.38 C ATOM 0 H LEU B 175 3.330 -5.987 0.874 1.00 0.22 H new ATOM 0 HA LEU B 175 5.815 -6.851 -0.112 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.349 -5.909 -1.620 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.641 -6.896 -2.276 1.00 0.27 H new ATOM 0 HG LEU B 175 2.718 -7.701 -0.070 1.00 0.32 H new ATOM 0 HD11 LEU B 175 1.899 -9.329 -1.724 1.00 0.38 H new ATOM 0 HD12 LEU B 175 1.693 -7.654 -2.288 1.00 0.38 H new ATOM 0 HD13 LEU B 175 3.015 -8.654 -2.935 1.00 0.38 H new ATOM 0 HD21 LEU B 175 3.772 -9.922 -0.233 1.00 0.38 H new ATOM 0 HD22 LEU B 175 4.961 -9.269 -1.385 1.00 0.38 H new ATOM 0 HD23 LEU B 175 4.931 -8.680 0.294 1.00 0.38 H new ATOM 924 N ALA B 176 5.021 -3.726 -0.797 1.00 0.21 N ATOM 925 CA ALA B 176 5.560 -2.460 -1.280 1.00 0.23 C ATOM 926 C ALA B 176 6.928 -2.177 -0.669 1.00 0.22 C ATOM 927 O ALA B 176 7.896 -1.909 -1.383 1.00 0.24 O ATOM 928 CB ALA B 176 4.596 -1.323 -0.969 1.00 0.26 C ATOM 0 H ALA B 176 4.078 -3.665 -0.413 1.00 0.21 H new ATOM 0 HA ALA B 176 5.682 -2.534 -2.361 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.011 -0.384 -1.335 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.640 -1.512 -1.458 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.446 -1.258 0.109 1.00 0.26 H new ATOM 934 N ILE B 177 7.003 -2.244 0.655 1.00 0.20 N ATOM 935 CA ILE B 177 8.255 -2.000 1.360 1.00 0.21 C ATOM 936 C ILE B 177 9.324 -2.991 0.921 1.00 0.21 C ATOM 937 O ILE B 177 10.477 -2.621 0.697 1.00 0.22 O ATOM 938 CB ILE B 177 8.069 -2.100 2.887 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.974 -1.138 3.353 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.381 -1.805 3.600 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.720 -1.185 4.843 1.00 0.29 C ATOM 0 H ILE B 177 6.213 -2.465 1.261 1.00 0.20 H new ATOM 0 HA ILE B 177 8.573 -0.988 1.110 1.00 0.21 H new ATOM 0 HB ILE B 177 7.763 -3.116 3.136 1.00 0.22 H new ATOM 0 HG12 ILE B 177 7.251 -0.122 3.072 1.00 0.24 H new ATOM 0 HG13 ILE B 177 6.048 -1.373 2.828 1.00 0.24 H new ATOM 0 HG21 ILE B 177 9.234 -1.879 4.678 1.00 0.25 H new ATOM 0 HG22 ILE B 177 10.136 -2.526 3.286 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.714 -0.798 3.348 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.932 -0.477 5.100 1.00 0.29 H new ATOM 0 HD12 ILE B 177 6.412 -2.191 5.128 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.633 -0.921 5.376 1.00 0.29 H new ATOM 953 N GLY B 178 8.933 -4.256 0.796 1.00 0.21 N ATOM 954 CA GLY B 178 9.868 -5.283 0.376 1.00 0.23 C ATOM 955 C GLY B 178 10.514 -4.954 -0.954 1.00 0.23 C ATOM 956 O GLY B 178 11.730 -5.066 -1.106 1.00 0.26 O ATOM 0 H GLY B 178 7.986 -4.587 0.978 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.641 -5.401 1.135 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.347 -6.238 0.300 1.00 0.23 H new ATOM 960 N LEU B 179 9.696 -4.546 -1.919 1.00 0.21 N ATOM 961 CA LEU B 179 10.193 -4.191 -3.242 1.00 0.23 C ATOM 962 C LEU B 179 11.240 -3.091 -3.138 1.00 0.24 C ATOM 963 O LEU B 179 12.305 -3.171 -3.751 1.00 0.28 O ATOM 964 CB LEU B 179 9.040 -3.733 -4.138 1.00 0.25 C ATOM 965 CG LEU B 179 7.998 -4.806 -4.453 1.00 0.27 C ATOM 966 CD1 LEU B 179 6.831 -4.206 -5.221 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.627 -5.946 -5.240 1.00 0.33 C ATOM 0 H LEU B 179 8.686 -4.453 -1.809 1.00 0.21 H new ATOM 0 HA LEU B 179 10.654 -5.074 -3.685 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.539 -2.892 -3.658 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.454 -3.364 -5.076 1.00 0.25 H new ATOM 0 HG LEU B 179 7.620 -5.206 -3.512 1.00 0.27 H new ATOM 0 HD11 LEU B 179 6.099 -4.984 -5.437 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.364 -3.425 -4.621 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.192 -3.778 -6.156 1.00 0.34 H new ATOM 0 HD21 LEU B 179 7.870 -6.700 -5.455 1.00 0.33 H new ATOM 0 HD22 LEU B 179 9.033 -5.562 -6.176 1.00 0.33 H new ATOM 0 HD23 LEU B 179 9.429 -6.394 -4.654 1.00 0.33 H new ATOM 979 N GLY B 180 10.929 -2.059 -2.359 1.00 0.23 N ATOM 980 CA GLY B 180 11.859 -0.960 -2.185 1.00 0.27 C ATOM 981 C GLY B 180 13.235 -1.438 -1.762 1.00 0.29 C ATOM 982 O GLY B 180 14.244 -1.041 -2.343 1.00 0.34 O ATOM 0 H GLY B 180 10.052 -1.965 -1.847 1.00 0.23 H new ATOM 0 HA2 GLY B 180 11.940 -0.403 -3.119 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.469 -0.271 -1.436 1.00 0.27 H new ATOM 986 N ILE B 181 13.274 -2.298 -0.749 1.00 0.27 N ATOM 987 CA ILE B 181 14.535 -2.832 -0.247 1.00 0.32 C ATOM 988 C ILE B 181 15.307 -3.548 -1.351 1.00 0.37 C ATOM 989 O ILE B 181 16.514 -3.357 -1.503 1.00 0.44 O ATOM 990 CB ILE B 181 14.306 -3.813 0.918 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.483 -3.148 2.023 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.637 -4.303 1.467 1.00 0.42 C ATOM 993 CD1 ILE B 181 13.211 -4.056 3.202 1.00 0.67 C ATOM 0 H ILE B 181 12.447 -2.640 -0.260 1.00 0.27 H new ATOM 0 HA ILE B 181 15.117 -1.983 0.110 1.00 0.32 H new ATOM 0 HB ILE B 181 13.749 -4.672 0.543 1.00 0.34 H new ATOM 0 HG12 ILE B 181 14.009 -2.260 2.372 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.533 -2.813 1.606 1.00 0.32 H new ATOM 0 HG21 ILE B 181 15.459 -4.995 2.290 1.00 0.42 H new ATOM 0 HG22 ILE B 181 16.191 -4.812 0.678 1.00 0.42 H new ATOM 0 HG23 ILE B 181 16.217 -3.453 1.827 1.00 0.42 H new ATOM 0 HD11 ILE B 181 12.623 -3.519 3.947 1.00 0.67 H new ATOM 0 HD12 ILE B 181 12.657 -4.933 2.866 1.00 0.67 H new ATOM 0 HD13 ILE B 181 14.156 -4.371 3.644 1.00 0.67 H new ATOM 1005 N TYR B 182 14.601 -4.371 -2.120 1.00 0.36 N ATOM 1006 CA TYR B 182 15.215 -5.121 -3.211 1.00 0.42 C ATOM 1007 C TYR B 182 15.944 -4.188 -4.173 1.00 0.45 C ATOM 1008 O TYR B 182 17.072 -4.460 -4.582 1.00 0.51 O ATOM 1009 CB TYR B 182 14.150 -5.922 -3.963 1.00 0.46 C ATOM 1010 CG TYR B 182 14.706 -6.775 -5.081 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.231 -8.035 -4.825 1.00 1.48 C ATOM 1012 CD2 TYR B 182 14.700 -6.321 -6.394 1.00 1.20 C ATOM 1013 CE1 TYR B 182 15.736 -8.820 -5.845 1.00 1.56 C ATOM 1014 CE2 TYR B 182 15.203 -7.100 -7.420 1.00 1.25 C ATOM 1015 CZ TYR B 182 15.719 -8.346 -7.141 1.00 0.83 C ATOM 1016 OH TYR B 182 16.219 -9.125 -8.160 1.00 0.97 O ATOM 0 H TYR B 182 13.601 -4.536 -2.008 1.00 0.36 H new ATOM 0 HA TYR B 182 15.945 -5.809 -2.783 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.624 -6.564 -3.256 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.414 -5.232 -4.376 1.00 0.46 H new ATOM 0 HD1 TYR B 182 15.245 -8.408 -3.812 1.00 1.48 H new ATOM 0 HD2 TYR B 182 14.296 -5.344 -6.617 1.00 1.20 H new ATOM 0 HE1 TYR B 182 16.141 -9.798 -5.629 1.00 1.56 H new ATOM 0 HE2 TYR B 182 15.191 -6.733 -8.436 1.00 1.25 H new ATOM 0 HH TYR B 182 16.132 -8.646 -9.011 1.00 0.97 H new ATOM 1026 N ILE B 183 15.290 -3.090 -4.535 1.00 0.44 N ATOM 1027 CA ILE B 183 15.878 -2.117 -5.447 1.00 0.50 C ATOM 1028 C ILE B 183 17.137 -1.498 -4.848 1.00 0.52 C ATOM 1029 O ILE B 183 18.194 -1.480 -5.478 1.00 0.59 O ATOM 1030 CB ILE B 183 14.877 -0.995 -5.786 1.00 0.55 C ATOM 1031 CG1 ILE B 183 13.597 -1.587 -6.381 1.00 0.59 C ATOM 1032 CG2 ILE B 183 15.504 0.003 -6.750 1.00 0.64 C ATOM 1033 CD1 ILE B 183 12.489 -0.573 -6.561 1.00 0.83 C ATOM 0 H ILE B 183 14.353 -2.852 -4.211 1.00 0.44 H new ATOM 0 HA ILE B 183 16.138 -2.651 -6.361 1.00 0.50 H new ATOM 0 HB ILE B 183 14.619 -0.469 -4.867 1.00 0.55 H new ATOM 0 HG12 ILE B 183 13.829 -2.035 -7.347 1.00 0.59 H new ATOM 0 HG13 ILE B 183 13.243 -2.389 -5.734 1.00 0.59 H new ATOM 0 HG21 ILE B 183 14.784 0.789 -6.979 1.00 0.64 H new ATOM 0 HG22 ILE B 183 16.389 0.444 -6.292 1.00 0.64 H new ATOM 0 HG23 ILE B 183 15.788 -0.509 -7.670 1.00 0.64 H new ATOM 0 HD11 ILE B 183 11.613 -1.063 -6.987 1.00 0.83 H new ATOM 0 HD12 ILE B 183 12.230 -0.142 -5.594 1.00 0.83 H new ATOM 0 HD13 ILE B 183 12.825 0.218 -7.232 1.00 0.83 H new ATOM 1045 N GLY B 184 17.012 -0.990 -3.626 1.00 0.50 N ATOM 1046 CA GLY B 184 18.141 -0.373 -2.954 1.00 0.57 C ATOM 1047 C GLY B 184 19.282 -1.341 -2.707 1.00 0.62 C ATOM 1048 O GLY B 184 20.429 -1.058 -3.054 1.00 0.69 O ATOM 0 H GLY B 184 16.146 -0.995 -3.088 1.00 0.50 H new ATOM 0 HA2 GLY B 184 18.503 0.462 -3.554 1.00 0.57 H new ATOM 0 HA3 GLY B 184 17.809 0.040 -2.001 1.00 0.57 H new ATOM 1052 N ARG B 185 18.970 -2.483 -2.102 1.00 0.62 N ATOM 1053 CA ARG B 185 19.983 -3.491 -1.802 1.00 0.72 C ATOM 1054 C ARG B 185 20.677 -3.969 -3.074 1.00 0.79 C ATOM 1055 O ARG B 185 21.789 -4.493 -3.023 1.00 0.88 O ATOM 1056 CB ARG B 185 19.357 -4.677 -1.063 1.00 0.77 C ATOM 1057 CG ARG B 185 18.322 -5.434 -1.874 1.00 0.72 C ATOM 1058 CD ARG B 185 18.946 -6.587 -2.647 1.00 1.02 C ATOM 1059 NE ARG B 185 19.526 -7.591 -1.758 1.00 1.43 N ATOM 1060 CZ ARG B 185 19.839 -8.825 -2.144 1.00 2.03 C ATOM 1061 NH1 ARG B 185 19.621 -9.206 -3.395 1.00 2.27 N ATOM 1062 NH2 ARG B 185 20.367 -9.680 -1.279 1.00 2.56 N ATOM 0 H ARG B 185 18.025 -2.734 -1.810 1.00 0.62 H new ATOM 0 HA ARG B 185 20.733 -3.031 -1.158 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.148 -5.367 -0.769 1.00 0.77 H new ATOM 0 HB3 ARG B 185 18.892 -4.316 -0.146 1.00 0.77 H new ATOM 0 HG2 ARG B 185 17.548 -5.818 -1.209 1.00 0.72 H new ATOM 0 HG3 ARG B 185 17.834 -4.751 -2.570 1.00 0.72 H new ATOM 0 HD2 ARG B 185 18.188 -7.054 -3.276 1.00 1.02 H new ATOM 0 HD3 ARG B 185 19.719 -6.202 -3.312 1.00 1.02 H new ATOM 0 HE ARG B 185 19.701 -7.331 -0.787 1.00 1.43 H new ATOM 0 HH11 ARG B 185 19.213 -8.553 -4.063 1.00 2.27 H new ATOM 0 HH12 ARG B 185 19.862 -10.153 -3.689 1.00 2.27 H new ATOM 0 HH21 ARG B 185 20.534 -9.392 -0.315 1.00 2.56 H new ATOM 0 HH22 ARG B 185 20.606 -10.626 -1.578 1.00 2.56 H new