USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 330 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 71:sc= 0.347 USER MOD Single : A 173 HIS : no HD1:sc= -1.81! C(o=-1.8!,f=-4!) 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 172 SER OG : rot 71:sc= 0.19 USER MOD Single : B 173 HIS : no HE2:sc= -0.992 K(o=-0.99,f=-3.1!) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -5.357 8.176 -1.023 1.00 0.76 N ATOM 223 CA SER A 168 -4.399 7.865 0.030 1.00 0.70 C ATOM 224 C SER A 168 -3.650 6.579 -0.293 1.00 0.57 C ATOM 225 O SER A 168 -2.440 6.486 -0.089 1.00 0.51 O ATOM 226 CB SER A 168 -5.112 7.733 1.377 1.00 0.82 C ATOM 227 OG SER A 168 -4.189 7.465 2.420 1.00 1.39 O ATOM 0 HA SER A 168 -3.680 8.682 0.092 1.00 0.70 H new ATOM 0 HB2 SER A 168 -5.656 8.652 1.596 1.00 0.82 H new ATOM 0 HB3 SER A 168 -5.849 6.932 1.325 1.00 0.82 H new ATOM 0 HG SER A 168 -4.670 7.387 3.270 1.00 1.39 H new ATOM 233 N LEU A 169 -4.379 5.589 -0.798 1.00 0.58 N ATOM 234 CA LEU A 169 -3.782 4.307 -1.150 1.00 0.51 C ATOM 235 C LEU A 169 -2.567 4.507 -2.047 1.00 0.41 C ATOM 236 O LEU A 169 -1.508 3.924 -1.813 1.00 0.36 O ATOM 237 CB LEU A 169 -4.810 3.417 -1.852 1.00 0.64 C ATOM 238 CG LEU A 169 -6.049 3.080 -1.021 1.00 0.77 C ATOM 239 CD1 LEU A 169 -6.991 2.182 -1.807 1.00 1.07 C ATOM 240 CD2 LEU A 169 -5.647 2.420 0.289 1.00 0.81 C ATOM 0 H LEU A 169 -5.382 5.650 -0.972 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.458 3.818 -0.231 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -5.130 3.911 -2.769 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -4.323 2.487 -2.144 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.574 4.008 -0.791 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -7.867 1.953 -1.200 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -7.305 2.692 -2.718 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -6.478 1.256 -2.068 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -6.540 2.187 0.868 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -5.100 1.501 0.080 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -5.012 3.099 0.859 1.00 0.81 H new ATOM 252 N LEU A 170 -2.722 5.342 -3.070 1.00 0.46 N ATOM 253 CA LEU A 170 -1.631 5.617 -3.999 1.00 0.47 C ATOM 254 C LEU A 170 -0.419 6.159 -3.253 1.00 0.38 C ATOM 255 O LEU A 170 0.708 5.714 -3.473 1.00 0.39 O ATOM 256 CB LEU A 170 -2.076 6.610 -5.078 1.00 0.60 C ATOM 257 CG LEU A 170 -3.029 6.045 -6.134 1.00 0.73 C ATOM 258 CD1 LEU A 170 -4.334 5.590 -5.500 1.00 0.88 C ATOM 259 CD2 LEU A 170 -3.293 7.082 -7.217 1.00 1.12 C ATOM 0 H LEU A 170 -3.589 5.838 -3.276 1.00 0.46 H new ATOM 0 HA LEU A 170 -1.353 4.681 -4.484 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -2.560 7.457 -4.592 1.00 0.60 H new ATOM 0 HB3 LEU A 170 -1.189 6.996 -5.582 1.00 0.60 H new ATOM 0 HG LEU A 170 -2.556 5.176 -6.592 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -4.994 5.193 -6.271 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -4.129 4.814 -4.763 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -4.816 6.437 -5.011 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -3.972 6.666 -7.961 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -3.743 7.968 -6.770 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -2.353 7.355 -7.696 1.00 1.12 H new ATOM 271 N LEU A 171 -0.658 7.123 -2.373 1.00 0.36 N ATOM 272 CA LEU A 171 0.413 7.719 -1.586 1.00 0.37 C ATOM 273 C LEU A 171 1.065 6.670 -0.691 1.00 0.32 C ATOM 274 O LEU A 171 2.290 6.549 -0.651 1.00 0.35 O ATOM 275 CB LEU A 171 -0.128 8.874 -0.740 1.00 0.44 C ATOM 276 CG LEU A 171 -0.659 10.066 -1.541 1.00 0.54 C ATOM 277 CD1 LEU A 171 -1.329 11.074 -0.618 1.00 0.64 C ATOM 278 CD2 LEU A 171 0.467 10.727 -2.321 1.00 0.62 C ATOM 0 H LEU A 171 -1.584 7.508 -2.187 1.00 0.36 H new ATOM 0 HA LEU A 171 1.167 8.109 -2.269 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -0.929 8.496 -0.105 1.00 0.44 H new ATOM 0 HB3 LEU A 171 0.665 9.223 -0.079 1.00 0.44 H new ATOM 0 HG LEU A 171 -1.402 9.700 -2.249 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -1.700 11.914 -1.205 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -2.161 10.597 -0.101 1.00 0.64 H new ATOM 0 HD13 LEU A 171 -0.606 11.434 0.114 1.00 0.64 H new ATOM 0 HD21 LEU A 171 0.072 11.572 -2.885 1.00 0.62 H new ATOM 0 HD22 LEU A 171 1.232 11.078 -1.628 1.00 0.62 H new ATOM 0 HD23 LEU A 171 0.905 10.005 -3.010 1.00 0.62 H new ATOM 290 N SER A 172 0.238 5.909 0.019 1.00 0.28 N ATOM 291 CA SER A 172 0.733 4.866 0.911 1.00 0.29 C ATOM 292 C SER A 172 1.676 3.925 0.173 1.00 0.25 C ATOM 293 O SER A 172 2.757 3.601 0.667 1.00 0.27 O ATOM 294 CB SER A 172 -0.434 4.075 1.506 1.00 0.35 C ATOM 295 OG SER A 172 -1.302 4.920 2.240 1.00 0.42 O ATOM 0 H SER A 172 -0.778 5.995 -0.006 1.00 0.28 H new ATOM 0 HA SER A 172 1.285 5.346 1.719 1.00 0.29 H new ATOM 0 HB2 SER A 172 -0.989 3.584 0.707 1.00 0.35 H new ATOM 0 HB3 SER A 172 -0.050 3.289 2.157 1.00 0.35 H new ATOM 0 HG SER A 172 -1.795 5.499 1.622 1.00 0.42 H new ATOM 301 N HIS A 173 1.263 3.484 -1.013 1.00 0.23 N ATOM 302 CA HIS A 173 2.080 2.582 -1.815 1.00 0.24 C ATOM 303 C HIS A 173 3.454 3.188 -2.075 1.00 0.22 C ATOM 304 O HIS A 173 4.478 2.554 -1.828 1.00 0.24 O ATOM 305 CB HIS A 173 1.387 2.267 -3.142 1.00 0.31 C ATOM 306 CG HIS A 173 0.134 1.460 -2.988 1.00 0.37 C ATOM 307 ND1 HIS A 173 -1.115 1.938 -3.321 1.00 0.42 N ATOM 308 CD2 HIS A 173 -0.056 0.196 -2.539 1.00 0.52 C ATOM 309 CE1 HIS A 173 -2.020 1.005 -3.083 1.00 0.48 C ATOM 310 NE2 HIS A 173 -1.403 -0.062 -2.609 1.00 0.53 N ATOM 0 H HIS A 173 0.370 3.737 -1.437 1.00 0.23 H new ATOM 0 HA HIS A 173 2.208 1.655 -1.257 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.147 3.202 -3.648 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.081 1.726 -3.785 1.00 0.31 H new ATOM 0 HD2 HIS A 173 0.709 -0.482 -2.191 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -3.083 1.099 -3.248 1.00 0.48 H new ATOM 0 HE2 HIS A 173 -1.854 -0.936 -2.339 1.00 0.53 H new ATOM 319 N LEU A 174 3.468 4.420 -2.576 1.00 0.22 N ATOM 320 CA LEU A 174 4.721 5.108 -2.859 1.00 0.26 C ATOM 321 C LEU A 174 5.560 5.238 -1.593 1.00 0.24 C ATOM 322 O LEU A 174 6.747 4.909 -1.586 1.00 0.29 O ATOM 323 CB LEU A 174 4.454 6.495 -3.451 1.00 0.31 C ATOM 324 CG LEU A 174 3.853 6.496 -4.858 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.642 7.922 -5.344 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.749 5.731 -5.821 1.00 0.42 C ATOM 0 H LEU A 174 2.630 4.959 -2.793 1.00 0.22 H new ATOM 0 HA LEU A 174 5.274 4.515 -3.588 1.00 0.26 H new ATOM 0 HB2 LEU A 174 3.780 7.034 -2.785 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.392 7.050 -3.473 1.00 0.31 H new ATOM 0 HG LEU A 174 2.884 5.997 -4.820 1.00 0.36 H new ATOM 0 HD11 LEU A 174 3.214 7.905 -6.346 1.00 0.42 H new ATOM 0 HD12 LEU A 174 2.962 8.440 -4.668 1.00 0.42 H new ATOM 0 HD13 LEU A 174 4.599 8.444 -5.367 1.00 0.42 H new ATOM 0 HD21 LEU A 174 4.306 5.742 -6.817 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.732 6.202 -5.856 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.852 4.700 -5.481 1.00 0.42 H new ATOM 338 N LEU A 175 4.936 5.717 -0.522 1.00 0.23 N ATOM 339 CA LEU A 175 5.626 5.882 0.752 1.00 0.27 C ATOM 340 C LEU A 175 6.302 4.579 1.163 1.00 0.24 C ATOM 341 O LEU A 175 7.456 4.574 1.592 1.00 0.27 O ATOM 342 CB LEU A 175 4.644 6.328 1.837 1.00 0.32 C ATOM 343 CG LEU A 175 4.035 7.717 1.633 1.00 0.37 C ATOM 344 CD1 LEU A 175 2.993 8.001 2.702 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.122 8.783 1.648 1.00 0.46 C ATOM 0 H LEU A 175 3.955 5.997 -0.511 1.00 0.23 H new ATOM 0 HA LEU A 175 6.389 6.651 0.632 1.00 0.27 H new ATOM 0 HB2 LEU A 175 3.836 5.599 1.895 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.157 6.311 2.798 1.00 0.32 H new ATOM 0 HG LEU A 175 3.545 7.741 0.660 1.00 0.37 H new ATOM 0 HD11 LEU A 175 2.569 8.993 2.543 1.00 0.46 H new ATOM 0 HD12 LEU A 175 2.201 7.255 2.645 1.00 0.46 H new ATOM 0 HD13 LEU A 175 3.460 7.960 3.686 1.00 0.46 H new ATOM 0 HD21 LEU A 175 4.671 9.765 1.502 1.00 0.46 H new ATOM 0 HD22 LEU A 175 5.640 8.761 2.607 1.00 0.46 H new ATOM 0 HD23 LEU A 175 5.834 8.588 0.846 1.00 0.46 H new ATOM 357 N ALA A 176 5.575 3.473 1.027 1.00 0.21 N ATOM 358 CA ALA A 176 6.106 2.162 1.380 1.00 0.21 C ATOM 359 C ALA A 176 7.404 1.890 0.631 1.00 0.19 C ATOM 360 O ALA A 176 8.418 1.527 1.231 1.00 0.21 O ATOM 361 CB ALA A 176 5.082 1.078 1.078 1.00 0.21 C ATOM 0 H ALA A 176 4.618 3.460 0.675 1.00 0.21 H new ATOM 0 HA ALA A 176 6.318 2.153 2.449 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.493 0.105 1.347 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.176 1.262 1.656 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.843 1.090 0.015 1.00 0.21 H new ATOM 367 N ILE A 177 7.369 2.068 -0.686 1.00 0.18 N ATOM 368 CA ILE A 177 8.544 1.847 -1.517 1.00 0.20 C ATOM 369 C ILE A 177 9.737 2.622 -0.971 1.00 0.21 C ATOM 370 O ILE A 177 10.842 2.089 -0.866 1.00 0.23 O ATOM 371 CB ILE A 177 8.293 2.273 -2.975 1.00 0.23 C ATOM 372 CG1 ILE A 177 7.075 1.539 -3.541 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.525 2.001 -3.826 1.00 0.27 C ATOM 374 CD1 ILE A 177 7.212 0.032 -3.521 1.00 0.47 C ATOM 0 H ILE A 177 6.539 2.365 -1.199 1.00 0.18 H new ATOM 0 HA ILE A 177 8.757 0.778 -1.496 1.00 0.20 H new ATOM 0 HB ILE A 177 8.091 3.344 -2.996 1.00 0.23 H new ATOM 0 HG12 ILE A 177 6.192 1.823 -2.968 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.908 1.867 -4.567 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.332 2.307 -4.854 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.371 2.564 -3.432 1.00 0.27 H new ATOM 0 HG23 ILE A 177 9.756 0.936 -3.802 1.00 0.27 H new ATOM 0 HD11 ILE A 177 6.312 -0.421 -3.937 1.00 0.47 H new ATOM 0 HD12 ILE A 177 8.075 -0.263 -4.118 1.00 0.47 H new ATOM 0 HD13 ILE A 177 7.348 -0.307 -2.494 1.00 0.47 H new ATOM 386 N GLY A 178 9.504 3.884 -0.624 1.00 0.20 N ATOM 387 CA GLY A 178 10.566 4.707 -0.081 1.00 0.23 C ATOM 388 C GLY A 178 11.193 4.081 1.146 1.00 0.22 C ATOM 389 O GLY A 178 12.414 4.085 1.300 1.00 0.23 O ATOM 0 H GLY A 178 8.600 4.349 -0.709 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.331 4.861 -0.842 1.00 0.23 H new ATOM 0 HA3 GLY A 178 10.169 5.689 0.175 1.00 0.23 H new ATOM 393 N LEU A 179 10.352 3.539 2.022 1.00 0.21 N ATOM 394 CA LEU A 179 10.828 2.894 3.239 1.00 0.23 C ATOM 395 C LEU A 179 11.833 1.801 2.898 1.00 0.21 C ATOM 396 O LEU A 179 12.930 1.754 3.457 1.00 0.24 O ATOM 397 CB LEU A 179 9.655 2.301 4.023 1.00 0.27 C ATOM 398 CG LEU A 179 8.549 3.294 4.383 1.00 0.30 C ATOM 399 CD1 LEU A 179 7.497 2.626 5.255 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.132 4.512 5.085 1.00 0.36 C ATOM 0 H LEU A 179 9.338 3.534 1.911 1.00 0.21 H new ATOM 0 HA LEU A 179 11.319 3.644 3.858 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.219 1.491 3.438 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.039 1.859 4.942 1.00 0.27 H new ATOM 0 HG LEU A 179 8.071 3.626 3.462 1.00 0.30 H new ATOM 0 HD11 LEU A 179 6.718 3.347 5.502 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.057 1.787 4.716 1.00 0.36 H new ATOM 0 HD13 LEU A 179 7.961 2.265 6.173 1.00 0.36 H new ATOM 0 HD21 LEU A 179 8.330 5.207 5.333 1.00 0.36 H new ATOM 0 HD22 LEU A 179 9.636 4.198 5.999 1.00 0.36 H new ATOM 0 HD23 LEU A 179 9.848 5.004 4.426 1.00 0.36 H new ATOM 412 N GLY A 180 11.450 0.923 1.977 1.00 0.20 N ATOM 413 CA GLY A 180 12.334 -0.152 1.569 1.00 0.23 C ATOM 414 C GLY A 180 13.693 0.362 1.139 1.00 0.24 C ATOM 415 O GLY A 180 14.725 -0.181 1.535 1.00 0.28 O ATOM 0 H GLY A 180 10.545 0.937 1.507 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.456 -0.854 2.394 1.00 0.23 H new ATOM 0 HA3 GLY A 180 11.878 -0.704 0.747 1.00 0.23 H new ATOM 419 N ILE A 181 13.692 1.414 0.327 1.00 0.26 N ATOM 420 CA ILE A 181 14.931 2.011 -0.156 1.00 0.32 C ATOM 421 C ILE A 181 15.773 2.531 1.004 1.00 0.33 C ATOM 422 O ILE A 181 16.992 2.361 1.028 1.00 0.34 O ATOM 423 CB ILE A 181 14.652 3.173 -1.130 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.786 2.696 -2.296 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.959 3.759 -1.642 1.00 0.52 C ATOM 426 CD1 ILE A 181 14.466 1.672 -3.178 1.00 0.90 C ATOM 0 H ILE A 181 12.845 1.871 -0.011 1.00 0.26 H new ATOM 0 HA ILE A 181 15.478 1.228 -0.682 1.00 0.32 H new ATOM 0 HB ILE A 181 14.110 3.952 -0.595 1.00 0.41 H new ATOM 0 HG12 ILE A 181 12.864 2.268 -1.902 1.00 0.47 H new ATOM 0 HG13 ILE A 181 13.504 3.556 -2.903 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.746 4.578 -2.329 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.544 4.132 -0.802 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.525 2.987 -2.163 1.00 0.52 H new ATOM 0 HD11 ILE A 181 13.792 1.380 -3.983 1.00 0.90 H new ATOM 0 HD12 ILE A 181 15.373 2.102 -3.602 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.724 0.795 -2.585 1.00 0.90 H new ATOM 438 N TYR A 182 15.110 3.167 1.966 1.00 0.35 N ATOM 439 CA TYR A 182 15.790 3.718 3.134 1.00 0.42 C ATOM 440 C TYR A 182 16.511 2.623 3.913 1.00 0.40 C ATOM 441 O TYR A 182 17.670 2.780 4.297 1.00 0.46 O ATOM 442 CB TYR A 182 14.784 4.429 4.042 1.00 0.49 C ATOM 443 CG TYR A 182 15.424 5.166 5.197 1.00 0.62 C ATOM 444 CD1 TYR A 182 15.658 4.529 6.409 1.00 1.16 C ATOM 445 CD2 TYR A 182 15.794 6.500 5.075 1.00 1.34 C ATOM 446 CE1 TYR A 182 16.241 5.200 7.467 1.00 1.25 C ATOM 447 CE2 TYR A 182 16.379 7.177 6.128 1.00 1.44 C ATOM 448 CZ TYR A 182 16.600 6.523 7.320 1.00 0.93 C ATOM 449 OH TYR A 182 17.182 7.196 8.371 1.00 1.09 O ATOM 0 H TYR A 182 14.101 3.314 1.959 1.00 0.35 H new ATOM 0 HA TYR A 182 16.532 4.438 2.787 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.207 5.136 3.446 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.081 3.695 4.436 1.00 0.49 H new ATOM 0 HD1 TYR A 182 15.380 3.492 6.526 1.00 1.16 H new ATOM 0 HD2 TYR A 182 15.622 7.016 4.142 1.00 1.34 H new ATOM 0 HE1 TYR A 182 16.414 4.691 8.404 1.00 1.25 H new ATOM 0 HE2 TYR A 182 16.661 8.213 6.017 1.00 1.44 H new ATOM 0 HH TYR A 182 17.375 8.119 8.102 1.00 1.09 H new ATOM 459 N ILE A 183 15.816 1.514 4.146 1.00 0.36 N ATOM 460 CA ILE A 183 16.388 0.393 4.882 1.00 0.42 C ATOM 461 C ILE A 183 17.596 -0.189 4.155 1.00 0.41 C ATOM 462 O ILE A 183 18.618 -0.493 4.771 1.00 0.46 O ATOM 463 CB ILE A 183 15.349 -0.725 5.097 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.100 -0.168 5.781 1.00 0.56 C ATOM 465 CG2 ILE A 183 15.951 -1.854 5.920 1.00 0.58 C ATOM 466 CD1 ILE A 183 13.021 -1.205 6.007 1.00 0.80 C ATOM 0 H ILE A 183 14.855 1.368 3.835 1.00 0.36 H new ATOM 0 HA ILE A 183 16.704 0.782 5.850 1.00 0.42 H new ATOM 0 HB ILE A 183 15.059 -1.123 4.125 1.00 0.47 H new ATOM 0 HG12 ILE A 183 14.383 0.265 6.740 1.00 0.56 H new ATOM 0 HG13 ILE A 183 13.694 0.641 5.174 1.00 0.56 H new ATOM 0 HG21 ILE A 183 15.206 -2.637 6.064 1.00 0.58 H new ATOM 0 HG22 ILE A 183 16.814 -2.266 5.396 1.00 0.58 H new ATOM 0 HG23 ILE A 183 16.265 -1.469 6.890 1.00 0.58 H new ATOM 0 HD11 ILE A 183 12.165 -0.739 6.496 1.00 0.80 H new ATOM 0 HD12 ILE A 183 12.709 -1.621 5.049 1.00 0.80 H new ATOM 0 HD13 ILE A 183 13.410 -2.003 6.639 1.00 0.80 H new ATOM 478 N GLY A 184 17.471 -0.343 2.841 1.00 0.39 N ATOM 479 CA GLY A 184 18.557 -0.892 2.049 1.00 0.46 C ATOM 480 C GLY A 184 19.822 -0.059 2.130 1.00 0.50 C ATOM 481 O GLY A 184 20.914 -0.594 2.325 1.00 0.55 O ATOM 0 H GLY A 184 16.636 -0.097 2.309 1.00 0.39 H new ATOM 0 HA2 GLY A 184 18.772 -1.905 2.388 1.00 0.46 H new ATOM 0 HA3 GLY A 184 18.241 -0.965 1.008 1.00 0.46 H new ATOM 485 N ARG A 185 19.677 1.251 1.977 1.00 0.53 N ATOM 486 CA ARG A 185 20.818 2.159 2.028 1.00 0.65 C ATOM 487 C ARG A 185 21.507 2.121 3.392 1.00 0.67 C ATOM 488 O ARG A 185 22.643 2.573 3.532 1.00 0.76 O ATOM 489 CB ARG A 185 20.373 3.588 1.709 1.00 0.76 C ATOM 490 CG ARG A 185 19.286 4.106 2.625 1.00 0.72 C ATOM 491 CD ARG A 185 19.112 5.611 2.489 1.00 0.81 C ATOM 492 NE ARG A 185 18.900 6.015 1.102 1.00 1.27 N ATOM 493 CZ ARG A 185 18.630 7.263 0.731 1.00 1.59 C ATOM 494 NH1 ARG A 185 18.526 8.220 1.643 1.00 1.66 N ATOM 495 NH2 ARG A 185 18.465 7.554 -0.553 1.00 2.24 N ATOM 0 H ARG A 185 18.780 1.710 1.816 1.00 0.53 H new ATOM 0 HA ARG A 185 21.537 1.828 1.278 1.00 0.65 H new ATOM 0 HB2 ARG A 185 21.236 4.251 1.773 1.00 0.76 H new ATOM 0 HB3 ARG A 185 20.017 3.627 0.679 1.00 0.76 H new ATOM 0 HG2 ARG A 185 18.345 3.608 2.393 1.00 0.72 H new ATOM 0 HG3 ARG A 185 19.531 3.859 3.658 1.00 0.72 H new ATOM 0 HD2 ARG A 185 18.265 5.934 3.094 1.00 0.81 H new ATOM 0 HD3 ARG A 185 19.995 6.115 2.882 1.00 0.81 H new ATOM 0 HE ARG A 185 18.963 5.300 0.377 1.00 1.27 H new ATOM 0 HH11 ARG A 185 18.653 7.999 2.631 1.00 1.66 H new ATOM 0 HH12 ARG A 185 18.319 9.177 1.357 1.00 1.66 H new ATOM 0 HH21 ARG A 185 18.545 6.820 -1.257 1.00 2.24 H new ATOM 0 HH22 ARG A 185 18.258 8.512 -0.836 1.00 2.24 H new ATOM 509 N ARG A 186 20.819 1.581 4.397 1.00 0.63 N ATOM 510 CA ARG A 186 21.382 1.497 5.742 1.00 0.73 C ATOM 511 C ARG A 186 21.592 0.045 6.162 1.00 0.74 C ATOM 512 O ARG A 186 21.296 -0.329 7.297 1.00 0.86 O ATOM 513 CB ARG A 186 20.467 2.198 6.747 1.00 0.81 C ATOM 514 CG ARG A 186 19.112 1.527 6.910 1.00 1.80 C ATOM 515 CD ARG A 186 18.300 2.176 8.021 1.00 2.20 C ATOM 516 NE ARG A 186 18.963 2.070 9.318 1.00 2.90 N ATOM 517 CZ ARG A 186 18.339 2.227 10.481 1.00 3.61 C ATOM 518 NH1 ARG A 186 17.038 2.485 10.509 1.00 3.86 N ATOM 519 NH2 ARG A 186 19.014 2.125 11.619 1.00 4.48 N ATOM 0 H ARG A 186 19.878 1.198 4.306 1.00 0.63 H new ATOM 0 HA ARG A 186 22.351 1.996 5.729 1.00 0.73 H new ATOM 0 HB2 ARG A 186 20.965 2.232 7.716 1.00 0.81 H new ATOM 0 HB3 ARG A 186 20.316 3.230 6.430 1.00 0.81 H new ATOM 0 HG2 ARG A 186 18.560 1.586 5.972 1.00 1.80 H new ATOM 0 HG3 ARG A 186 19.253 0.469 7.131 1.00 1.80 H new ATOM 0 HD2 ARG A 186 18.135 3.227 7.783 1.00 2.20 H new ATOM 0 HD3 ARG A 186 17.319 1.704 8.076 1.00 2.20 H new ATOM 0 HE ARG A 186 19.962 1.864 9.332 1.00 2.90 H new ATOM 0 HH11 ARG A 186 16.515 2.563 9.637 1.00 3.86 H new ATOM 0 HH12 ARG A 186 16.561 2.605 11.403 1.00 3.86 H new ATOM 0 HH21 ARG A 186 20.014 1.926 11.603 1.00 4.48 H new ATOM 0 HH22 ARG A 186 18.533 2.246 12.510 1.00 4.48 H new ATOM 533 N LEU A 187 22.105 -0.769 5.245 1.00 0.73 N ATOM 534 CA LEU A 187 22.354 -2.179 5.532 1.00 0.84 C ATOM 535 C LEU A 187 23.815 -2.412 5.898 1.00 1.03 C ATOM 536 O LEU A 187 24.122 -2.916 6.979 1.00 1.21 O ATOM 537 CB LEU A 187 21.969 -3.047 4.331 1.00 0.83 C ATOM 538 CG LEU A 187 20.476 -3.069 4.000 1.00 0.78 C ATOM 539 CD1 LEU A 187 20.207 -3.970 2.803 1.00 0.90 C ATOM 540 CD2 LEU A 187 19.672 -3.529 5.206 1.00 0.98 C ATOM 0 H LEU A 187 22.356 -0.479 4.300 1.00 0.73 H new ATOM 0 HA LEU A 187 21.736 -2.462 6.385 1.00 0.84 H new ATOM 0 HB2 LEU A 187 22.514 -2.693 3.456 1.00 0.83 H new ATOM 0 HB3 LEU A 187 22.299 -4.069 4.520 1.00 0.83 H new ATOM 0 HG LEU A 187 20.164 -2.056 3.743 1.00 0.78 H new ATOM 0 HD11 LEU A 187 19.140 -3.973 2.582 1.00 0.90 H new ATOM 0 HD12 LEU A 187 20.755 -3.598 1.937 1.00 0.90 H new ATOM 0 HD13 LEU A 187 20.533 -4.985 3.031 1.00 0.90 H new ATOM 0 HD21 LEU A 187 18.612 -3.539 4.954 1.00 0.98 H new ATOM 0 HD22 LEU A 187 19.987 -4.533 5.492 1.00 0.98 H new ATOM 0 HD23 LEU A 187 19.841 -2.845 6.038 1.00 0.98 H new ATOM 789 N SER B 168 -6.209 -7.043 2.378 1.00 0.84 N ATOM 790 CA SER B 168 -5.349 -7.086 1.201 1.00 0.77 C ATOM 791 C SER B 168 -4.444 -5.862 1.158 1.00 0.60 C ATOM 792 O SER B 168 -3.257 -5.962 0.846 1.00 0.54 O ATOM 793 CB SER B 168 -6.194 -7.156 -0.072 1.00 0.90 C ATOM 794 OG SER B 168 -5.374 -7.213 -1.226 1.00 1.54 O ATOM 0 HA SER B 168 -4.727 -7.979 1.262 1.00 0.77 H new ATOM 0 HB2 SER B 168 -6.839 -8.034 -0.036 1.00 0.90 H new ATOM 0 HB3 SER B 168 -6.846 -6.284 -0.128 1.00 0.90 H new ATOM 0 HG SER B 168 -5.938 -7.259 -2.026 1.00 1.54 H new ATOM 800 N LEU B 169 -5.014 -4.704 1.474 1.00 0.60 N ATOM 801 CA LEU B 169 -4.262 -3.457 1.480 1.00 0.52 C ATOM 802 C LEU B 169 -3.026 -3.575 2.364 1.00 0.44 C ATOM 803 O LEU B 169 -1.949 -3.096 2.007 1.00 0.37 O ATOM 804 CB LEU B 169 -5.146 -2.304 1.960 1.00 0.63 C ATOM 805 CG LEU B 169 -6.315 -1.960 1.035 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.100 -0.776 1.581 1.00 0.86 C ATOM 807 CD2 LEU B 169 -5.812 -1.667 -0.370 1.00 0.76 C ATOM 0 H LEU B 169 -5.996 -4.604 1.730 1.00 0.60 H new ATOM 0 HA LEU B 169 -3.937 -3.250 0.460 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.542 -2.555 2.944 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -4.525 -1.416 2.083 1.00 0.63 H new ATOM 0 HG LEU B 169 -6.983 -2.820 0.989 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -7.927 -0.547 0.909 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -7.492 -1.023 2.568 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -6.444 0.091 1.658 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -6.656 -1.424 -1.015 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -5.123 -0.823 -0.341 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -5.296 -2.544 -0.762 1.00 0.76 H new ATOM 819 N LEU B 170 -3.185 -4.215 3.519 1.00 0.51 N ATOM 820 CA LEU B 170 -2.071 -4.397 4.444 1.00 0.52 C ATOM 821 C LEU B 170 -0.912 -5.103 3.749 1.00 0.44 C ATOM 822 O LEU B 170 0.233 -4.653 3.817 1.00 0.40 O ATOM 823 CB LEU B 170 -2.508 -5.196 5.676 1.00 0.67 C ATOM 824 CG LEU B 170 -3.400 -4.443 6.668 1.00 0.80 C ATOM 825 CD1 LEU B 170 -4.732 -4.085 6.032 1.00 0.86 C ATOM 826 CD2 LEU B 170 -3.618 -5.274 7.923 1.00 0.93 C ATOM 0 H LEU B 170 -4.069 -4.614 3.835 1.00 0.51 H new ATOM 0 HA LEU B 170 -1.740 -3.411 4.771 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -3.039 -6.087 5.340 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -1.616 -5.536 6.202 1.00 0.67 H new ATOM 0 HG LEU B 170 -2.895 -3.518 6.946 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -5.349 -3.551 6.755 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -4.561 -3.451 5.162 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.244 -4.996 5.722 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -4.254 -4.725 8.617 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -4.099 -6.215 7.657 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -2.657 -5.479 8.395 1.00 0.93 H new ATOM 838 N LEU B 171 -1.217 -6.209 3.079 1.00 0.45 N ATOM 839 CA LEU B 171 -0.200 -6.972 2.365 1.00 0.45 C ATOM 840 C LEU B 171 0.463 -6.112 1.296 1.00 0.37 C ATOM 841 O LEU B 171 1.683 -6.136 1.133 1.00 0.38 O ATOM 842 CB LEU B 171 -0.816 -8.218 1.727 1.00 0.54 C ATOM 843 CG LEU B 171 -1.333 -9.265 2.714 1.00 0.65 C ATOM 844 CD1 LEU B 171 -1.908 -10.462 1.972 1.00 0.74 C ATOM 845 CD2 LEU B 171 -0.221 -9.703 3.655 1.00 0.74 C ATOM 0 H LEU B 171 -2.158 -6.597 3.015 1.00 0.45 H new ATOM 0 HA LEU B 171 0.559 -7.283 3.083 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -1.641 -7.908 1.085 1.00 0.54 H new ATOM 0 HB3 LEU B 171 -0.070 -8.685 1.084 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.129 -8.816 3.307 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -2.271 -11.196 2.691 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -2.733 -10.136 1.339 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -1.133 -10.913 1.353 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -0.606 -10.448 4.351 1.00 0.74 H new ATOM 0 HD22 LEU B 171 0.596 -10.134 3.077 1.00 0.74 H new ATOM 0 HD23 LEU B 171 0.145 -8.841 4.212 1.00 0.74 H new ATOM 857 N SER B 172 -0.349 -5.349 0.571 1.00 0.32 N ATOM 858 CA SER B 172 0.161 -4.475 -0.478 1.00 0.31 C ATOM 859 C SER B 172 1.259 -3.571 0.068 1.00 0.26 C ATOM 860 O SER B 172 2.341 -3.471 -0.510 1.00 0.30 O ATOM 861 CB SER B 172 -0.971 -3.630 -1.065 1.00 0.33 C ATOM 862 OG SER B 172 -2.003 -4.451 -1.583 1.00 0.40 O ATOM 0 H SER B 172 -1.361 -5.319 0.691 1.00 0.32 H new ATOM 0 HA SER B 172 0.581 -5.097 -1.269 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.376 -2.973 -0.295 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.579 -2.990 -1.856 1.00 0.33 H new ATOM 0 HG SER B 172 -2.487 -4.874 -0.843 1.00 0.40 H new ATOM 868 N HIS B 173 0.974 -2.915 1.190 1.00 0.22 N ATOM 869 CA HIS B 173 1.941 -2.026 1.818 1.00 0.23 C ATOM 870 C HIS B 173 3.214 -2.786 2.170 1.00 0.23 C ATOM 871 O HIS B 173 4.320 -2.339 1.863 1.00 0.25 O ATOM 872 CB HIS B 173 1.346 -1.390 3.075 1.00 0.28 C ATOM 873 CG HIS B 173 0.196 -0.474 2.794 1.00 0.28 C ATOM 874 ND1 HIS B 173 -1.057 -0.644 3.345 1.00 0.34 N ATOM 875 CD2 HIS B 173 0.116 0.630 2.016 1.00 0.36 C ATOM 876 CE1 HIS B 173 -1.858 0.315 2.917 1.00 0.35 C ATOM 877 NE2 HIS B 173 -1.170 1.102 2.110 1.00 0.36 N ATOM 0 H HIS B 173 0.082 -2.984 1.680 1.00 0.22 H new ATOM 0 HA HIS B 173 2.189 -1.236 1.110 1.00 0.23 H new ATOM 0 HB2 HIS B 173 1.015 -2.179 3.750 1.00 0.28 H new ATOM 0 HB3 HIS B 173 2.126 -0.833 3.594 1.00 0.28 H new ATOM 0 HD1 HIS B 173 -1.323 -1.393 3.983 1.00 0.34 H new ATOM 0 HD2 HIS B 173 0.915 1.060 1.430 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -2.898 0.435 3.182 1.00 0.35 H new ATOM 886 N LEU B 174 3.051 -3.936 2.817 1.00 0.24 N ATOM 887 CA LEU B 174 4.189 -4.761 3.202 1.00 0.27 C ATOM 888 C LEU B 174 5.012 -5.138 1.977 1.00 0.23 C ATOM 889 O LEU B 174 6.235 -5.002 1.971 1.00 0.24 O ATOM 890 CB LEU B 174 3.714 -6.024 3.922 1.00 0.33 C ATOM 891 CG LEU B 174 2.925 -5.777 5.208 1.00 0.40 C ATOM 892 CD1 LEU B 174 2.542 -7.096 5.861 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.732 -4.917 6.168 1.00 0.47 C ATOM 0 H LEU B 174 2.143 -4.316 3.085 1.00 0.24 H new ATOM 0 HA LEU B 174 4.816 -4.184 3.882 1.00 0.27 H new ATOM 0 HB2 LEU B 174 3.093 -6.602 3.238 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.583 -6.638 4.159 1.00 0.33 H new ATOM 0 HG LEU B 174 2.009 -5.243 4.955 1.00 0.40 H new ATOM 0 HD11 LEU B 174 1.981 -6.900 6.775 1.00 0.48 H new ATOM 0 HD12 LEU B 174 1.926 -7.677 5.174 1.00 0.48 H new ATOM 0 HD13 LEU B 174 3.444 -7.658 6.102 1.00 0.48 H new ATOM 0 HD21 LEU B 174 3.157 -4.750 7.079 1.00 0.47 H new ATOM 0 HD22 LEU B 174 4.664 -5.425 6.416 1.00 0.47 H new ATOM 0 HD23 LEU B 174 3.955 -3.959 5.699 1.00 0.47 H new ATOM 905 N LEU B 175 4.329 -5.613 0.940 1.00 0.22 N ATOM 906 CA LEU B 175 4.993 -6.001 -0.296 1.00 0.23 C ATOM 907 C LEU B 175 5.765 -4.822 -0.877 1.00 0.21 C ATOM 908 O LEU B 175 6.914 -4.965 -1.298 1.00 0.23 O ATOM 909 CB LEU B 175 3.972 -6.514 -1.311 1.00 0.27 C ATOM 910 CG LEU B 175 3.290 -7.830 -0.933 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.298 -8.247 -2.008 1.00 0.38 C ATOM 912 CD2 LEU B 175 4.328 -8.921 -0.711 1.00 0.38 C ATOM 0 H LEU B 175 3.317 -5.738 0.933 1.00 0.22 H new ATOM 0 HA LEU B 175 5.696 -6.803 -0.073 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.205 -5.752 -1.450 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.470 -6.643 -2.272 1.00 0.27 H new ATOM 0 HG LEU B 175 2.742 -7.680 -0.003 1.00 0.32 H new ATOM 0 HD11 LEU B 175 1.823 -9.185 -1.721 1.00 0.38 H new ATOM 0 HD12 LEU B 175 1.537 -7.475 -2.120 1.00 0.38 H new ATOM 0 HD13 LEU B 175 2.822 -8.380 -2.955 1.00 0.38 H new ATOM 0 HD21 LEU B 175 3.827 -9.851 -0.443 1.00 0.38 H new ATOM 0 HD22 LEU B 175 4.902 -9.069 -1.626 1.00 0.38 H new ATOM 0 HD23 LEU B 175 5.000 -8.625 0.095 1.00 0.38 H new ATOM 924 N ALA B 176 5.127 -3.656 -0.896 1.00 0.21 N ATOM 925 CA ALA B 176 5.758 -2.451 -1.414 1.00 0.23 C ATOM 926 C ALA B 176 7.107 -2.222 -0.743 1.00 0.22 C ATOM 927 O ALA B 176 8.126 -2.036 -1.411 1.00 0.24 O ATOM 928 CB ALA B 176 4.850 -1.248 -1.209 1.00 0.26 C ATOM 0 H ALA B 176 4.174 -3.522 -0.558 1.00 0.21 H new ATOM 0 HA ALA B 176 5.925 -2.581 -2.483 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.336 -0.355 -1.601 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.908 -1.409 -1.734 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.654 -1.117 -0.145 1.00 0.26 H new ATOM 934 N ILE B 177 7.106 -2.241 0.588 1.00 0.20 N ATOM 935 CA ILE B 177 8.330 -2.048 1.353 1.00 0.21 C ATOM 936 C ILE B 177 9.405 -3.021 0.889 1.00 0.21 C ATOM 937 O ILE B 177 10.565 -2.649 0.719 1.00 0.22 O ATOM 938 CB ILE B 177 8.090 -2.238 2.862 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.996 -1.286 3.350 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.378 -2.010 3.637 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.644 -1.464 4.811 1.00 0.29 C ATOM 0 H ILE B 177 6.272 -2.388 1.156 1.00 0.20 H new ATOM 0 HA ILE B 177 8.662 -1.024 1.181 1.00 0.21 H new ATOM 0 HB ILE B 177 7.760 -3.262 3.035 1.00 0.22 H new ATOM 0 HG12 ILE B 177 7.321 -0.259 3.186 1.00 0.24 H new ATOM 0 HG13 ILE B 177 6.100 -1.437 2.748 1.00 0.24 H new ATOM 0 HG21 ILE B 177 9.191 -2.148 4.702 1.00 0.25 H new ATOM 0 HG22 ILE B 177 10.133 -2.723 3.306 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.734 -0.995 3.460 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.862 -0.756 5.086 1.00 0.29 H new ATOM 0 HD12 ILE B 177 6.288 -2.481 4.978 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.528 -1.284 5.423 1.00 0.29 H new ATOM 953 N GLY B 178 9.009 -4.275 0.688 1.00 0.21 N ATOM 954 CA GLY B 178 9.947 -5.281 0.230 1.00 0.23 C ATOM 955 C GLY B 178 10.580 -4.894 -1.090 1.00 0.23 C ATOM 956 O GLY B 178 11.782 -5.070 -1.288 1.00 0.26 O ATOM 0 H GLY B 178 8.057 -4.610 0.834 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.725 -5.422 0.980 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.433 -6.236 0.121 1.00 0.23 H new ATOM 960 N LEU B 179 9.763 -4.363 -1.996 1.00 0.21 N ATOM 961 CA LEU B 179 10.248 -3.934 -3.300 1.00 0.23 C ATOM 962 C LEU B 179 11.408 -2.964 -3.132 1.00 0.24 C ATOM 963 O LEU B 179 12.468 -3.133 -3.734 1.00 0.28 O ATOM 964 CB LEU B 179 9.124 -3.268 -4.096 1.00 0.25 C ATOM 965 CG LEU B 179 7.877 -4.129 -4.302 1.00 0.27 C ATOM 966 CD1 LEU B 179 6.793 -3.337 -5.016 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.224 -5.388 -5.083 1.00 0.33 C ATOM 0 H LEU B 179 8.764 -4.221 -1.849 1.00 0.21 H new ATOM 0 HA LEU B 179 10.592 -4.811 -3.848 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.833 -2.350 -3.585 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.513 -2.980 -5.073 1.00 0.25 H new ATOM 0 HG LEU B 179 7.496 -4.425 -3.324 1.00 0.27 H new ATOM 0 HD11 LEU B 179 5.914 -3.966 -5.154 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.526 -2.466 -4.418 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.162 -3.011 -5.989 1.00 0.34 H new ATOM 0 HD21 LEU B 179 7.326 -5.990 -5.221 1.00 0.33 H new ATOM 0 HD22 LEU B 179 8.629 -5.112 -6.057 1.00 0.33 H new ATOM 0 HD23 LEU B 179 8.966 -5.965 -4.532 1.00 0.33 H new ATOM 979 N GLY B 180 11.196 -1.948 -2.303 1.00 0.23 N ATOM 980 CA GLY B 180 12.235 -0.966 -2.058 1.00 0.27 C ATOM 981 C GLY B 180 13.518 -1.600 -1.557 1.00 0.29 C ATOM 982 O GLY B 180 14.605 -1.278 -2.034 1.00 0.34 O ATOM 0 H GLY B 180 10.325 -1.787 -1.797 1.00 0.23 H new ATOM 0 HA2 GLY B 180 12.438 -0.418 -2.978 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.881 -0.240 -1.326 1.00 0.27 H new ATOM 986 N ILE B 181 13.390 -2.508 -0.594 1.00 0.27 N ATOM 987 CA ILE B 181 14.549 -3.191 -0.030 1.00 0.32 C ATOM 988 C ILE B 181 15.321 -3.944 -1.109 1.00 0.37 C ATOM 989 O ILE B 181 16.541 -3.825 -1.210 1.00 0.44 O ATOM 990 CB ILE B 181 14.135 -4.182 1.077 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.354 -3.459 2.176 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.361 -4.871 1.659 1.00 0.42 C ATOM 993 CD1 ILE B 181 12.852 -4.379 3.266 1.00 0.67 C ATOM 0 H ILE B 181 12.497 -2.787 -0.189 1.00 0.27 H new ATOM 0 HA ILE B 181 15.190 -2.423 0.403 1.00 0.32 H new ATOM 0 HB ILE B 181 13.489 -4.942 0.638 1.00 0.34 H new ATOM 0 HG12 ILE B 181 13.992 -2.696 2.621 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.505 -2.943 1.728 1.00 0.32 H new ATOM 0 HG21 ILE B 181 15.051 -5.567 2.439 1.00 0.42 H new ATOM 0 HG22 ILE B 181 15.880 -5.417 0.871 1.00 0.42 H new ATOM 0 HG23 ILE B 181 16.031 -4.124 2.085 1.00 0.42 H new ATOM 0 HD11 ILE B 181 12.308 -3.798 4.011 1.00 0.67 H new ATOM 0 HD12 ILE B 181 12.188 -5.127 2.833 1.00 0.67 H new ATOM 0 HD13 ILE B 181 13.698 -4.876 3.741 1.00 0.67 H new ATOM 1005 N TYR B 182 14.600 -4.720 -1.913 1.00 0.36 N ATOM 1006 CA TYR B 182 15.217 -5.493 -2.986 1.00 0.42 C ATOM 1007 C TYR B 182 16.085 -4.601 -3.868 1.00 0.45 C ATOM 1008 O TYR B 182 17.223 -4.939 -4.185 1.00 0.51 O ATOM 1009 CB TYR B 182 14.139 -6.176 -3.831 1.00 0.46 C ATOM 1010 CG TYR B 182 14.691 -7.002 -4.973 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.304 -8.226 -4.738 1.00 1.20 C ATOM 1012 CD2 TYR B 182 14.595 -6.556 -6.285 1.00 1.48 C ATOM 1013 CE1 TYR B 182 15.808 -8.983 -5.781 1.00 1.25 C ATOM 1014 CE2 TYR B 182 15.095 -7.306 -7.332 1.00 1.56 C ATOM 1015 CZ TYR B 182 15.700 -8.518 -7.074 1.00 0.83 C ATOM 1016 OH TYR B 182 16.197 -9.269 -8.115 1.00 0.97 O ATOM 0 H TYR B 182 13.588 -4.830 -1.842 1.00 0.36 H new ATOM 0 HA TYR B 182 15.853 -6.255 -2.536 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.539 -6.819 -3.187 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.471 -5.415 -4.235 1.00 0.46 H new ATOM 0 HD1 TYR B 182 15.389 -8.593 -3.726 1.00 1.20 H new ATOM 0 HD2 TYR B 182 14.122 -5.607 -6.490 1.00 1.48 H new ATOM 0 HE1 TYR B 182 16.283 -9.932 -5.583 1.00 1.25 H new ATOM 0 HE2 TYR B 182 15.013 -6.945 -8.347 1.00 1.56 H new ATOM 0 HH TYR B 182 16.040 -8.800 -8.961 1.00 0.97 H new ATOM 1026 N ILE B 183 15.528 -3.471 -4.282 1.00 0.44 N ATOM 1027 CA ILE B 183 16.249 -2.524 -5.122 1.00 0.50 C ATOM 1028 C ILE B 183 17.460 -1.937 -4.397 1.00 0.52 C ATOM 1029 O ILE B 183 18.572 -1.932 -4.925 1.00 0.59 O ATOM 1030 CB ILE B 183 15.328 -1.378 -5.579 1.00 0.55 C ATOM 1031 CG1 ILE B 183 14.079 -1.944 -6.258 1.00 0.59 C ATOM 1032 CG2 ILE B 183 16.071 -0.439 -6.518 1.00 0.64 C ATOM 1033 CD1 ILE B 183 13.067 -0.888 -6.644 1.00 0.83 C ATOM 0 H ILE B 183 14.576 -3.187 -4.049 1.00 0.44 H new ATOM 0 HA ILE B 183 16.597 -3.077 -5.994 1.00 0.50 H new ATOM 0 HB ILE B 183 15.018 -0.808 -4.703 1.00 0.55 H new ATOM 0 HG12 ILE B 183 14.378 -2.492 -7.151 1.00 0.59 H new ATOM 0 HG13 ILE B 183 13.605 -2.661 -5.588 1.00 0.59 H new ATOM 0 HG21 ILE B 183 15.405 0.365 -6.831 1.00 0.64 H new ATOM 0 HG22 ILE B 183 16.933 -0.016 -6.002 1.00 0.64 H new ATOM 0 HG23 ILE B 183 16.408 -0.993 -7.394 1.00 0.64 H new ATOM 0 HD11 ILE B 183 12.209 -1.363 -7.120 1.00 0.83 H new ATOM 0 HD12 ILE B 183 12.738 -0.356 -5.751 1.00 0.83 H new ATOM 0 HD13 ILE B 183 13.523 -0.183 -7.339 1.00 0.83 H new ATOM 1045 N GLY B 184 17.232 -1.442 -3.183 1.00 0.50 N ATOM 1046 CA GLY B 184 18.303 -0.839 -2.404 1.00 0.57 C ATOM 1047 C GLY B 184 19.427 -1.803 -2.063 1.00 0.62 C ATOM 1048 O GLY B 184 20.594 -1.516 -2.326 1.00 0.69 O ATOM 0 H GLY B 184 16.322 -1.447 -2.723 1.00 0.50 H new ATOM 0 HA2 GLY B 184 18.715 0.003 -2.960 1.00 0.57 H new ATOM 0 HA3 GLY B 184 17.887 -0.438 -1.480 1.00 0.57 H new ATOM 1052 N ARG B 185 19.082 -2.945 -1.476 1.00 0.62 N ATOM 1053 CA ARG B 185 20.085 -3.936 -1.096 1.00 0.72 C ATOM 1054 C ARG B 185 20.996 -4.272 -2.274 1.00 0.79 C ATOM 1055 O ARG B 185 22.128 -4.715 -2.087 1.00 0.88 O ATOM 1056 CB ARG B 185 19.414 -5.207 -0.571 1.00 0.77 C ATOM 1057 CG ARG B 185 18.516 -5.885 -1.589 1.00 0.72 C ATOM 1058 CD ARG B 185 19.026 -7.269 -1.952 1.00 1.02 C ATOM 1059 NE ARG B 185 19.169 -8.124 -0.778 1.00 1.43 N ATOM 1060 CZ ARG B 185 19.386 -9.434 -0.844 1.00 2.03 C ATOM 1061 NH1 ARG B 185 19.483 -10.034 -2.023 1.00 2.27 N ATOM 1062 NH2 ARG B 185 19.506 -10.145 0.269 1.00 2.56 N ATOM 0 H ARG B 185 18.122 -3.207 -1.254 1.00 0.62 H new ATOM 0 HA ARG B 185 20.695 -3.507 -0.301 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.184 -5.910 -0.253 1.00 0.77 H new ATOM 0 HB3 ARG B 185 18.825 -4.959 0.312 1.00 0.77 H new ATOM 0 HG2 ARG B 185 17.505 -5.963 -1.188 1.00 0.72 H new ATOM 0 HG3 ARG B 185 18.456 -5.271 -2.488 1.00 0.72 H new ATOM 0 HD2 ARG B 185 18.339 -7.735 -2.658 1.00 1.02 H new ATOM 0 HD3 ARG B 185 19.989 -7.180 -2.455 1.00 1.02 H new ATOM 0 HE ARG B 185 19.099 -7.693 0.144 1.00 1.43 H new ATOM 0 HH11 ARG B 185 19.391 -9.490 -2.881 1.00 2.27 H new ATOM 0 HH12 ARG B 185 19.650 -11.039 -2.072 1.00 2.27 H new ATOM 0 HH21 ARG B 185 19.432 -9.687 1.177 1.00 2.56 H new ATOM 0 HH22 ARG B 185 19.672 -11.150 0.217 1.00 2.56 H new