USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 333 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 173 HIS : no HE2:sc= -3.56! C(o=-2.3!,f=-6.7!) USER MOD Set 1.2: B 172 SER OG : rot 67:sc= 1.25 USER MOD Set 2.1: A 172 SER OG : rot 76:sc= 1.28 USER MOD Set 2.2: B 173 HIS : +bothHN:sc= -1.53! C(o=-0.25!,f=-7.5!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 208 N PRO A 167 6.061 8.437 1.877 1.00 0.73 N ATOM 209 CA PRO A 167 4.759 8.883 1.367 1.00 0.67 C ATOM 210 C PRO A 167 4.170 7.895 0.367 1.00 0.55 C ATOM 211 O PRO A 167 3.000 7.526 0.461 1.00 0.58 O ATOM 212 CB PRO A 167 5.071 10.217 0.678 1.00 0.86 C ATOM 213 CG PRO A 167 6.358 10.668 1.274 1.00 0.98 C ATOM 214 CD PRO A 167 7.125 9.416 1.587 1.00 0.91 C ATOM 0 HA PRO A 167 4.019 8.969 2.163 1.00 0.67 H new ATOM 0 HB2 PRO A 167 5.158 10.093 -0.401 1.00 0.86 H new ATOM 0 HB3 PRO A 167 4.279 10.945 0.852 1.00 0.86 H new ATOM 0 HG2 PRO A 167 6.910 11.301 0.579 1.00 0.98 H new ATOM 0 HG3 PRO A 167 6.187 11.257 2.175 1.00 0.98 H new ATOM 0 HD2 PRO A 167 7.744 9.102 0.747 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.790 9.553 2.440 1.00 0.91 H new ATOM 222 N SER A 168 4.990 7.464 -0.588 1.00 0.55 N ATOM 223 CA SER A 168 4.550 6.517 -1.609 1.00 0.52 C ATOM 224 C SER A 168 3.809 5.342 -0.981 1.00 0.39 C ATOM 225 O SER A 168 2.733 4.956 -1.439 1.00 0.33 O ATOM 226 CB SER A 168 5.748 6.008 -2.413 1.00 0.66 C ATOM 227 OG SER A 168 5.341 5.079 -3.403 1.00 1.47 O ATOM 0 H SER A 168 5.963 7.756 -0.676 1.00 0.55 H new ATOM 0 HA SER A 168 3.866 7.038 -2.279 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.256 6.849 -2.886 1.00 0.66 H new ATOM 0 HB3 SER A 168 6.467 5.538 -1.742 1.00 0.66 H new ATOM 0 HG SER A 168 6.125 4.770 -3.904 1.00 1.47 H new ATOM 233 N LEU A 169 4.393 4.775 0.070 1.00 0.40 N ATOM 234 CA LEU A 169 3.784 3.647 0.763 1.00 0.36 C ATOM 235 C LEU A 169 2.438 4.043 1.359 1.00 0.28 C ATOM 236 O LEU A 169 1.431 3.368 1.146 1.00 0.26 O ATOM 237 CB LEU A 169 4.714 3.134 1.865 1.00 0.47 C ATOM 238 CG LEU A 169 6.133 2.791 1.408 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.898 2.096 2.522 1.00 0.73 C ATOM 240 CD2 LEU A 169 6.095 1.922 0.159 1.00 0.62 C ATOM 0 H LEU A 169 5.286 5.078 0.459 1.00 0.40 H new ATOM 0 HA LEU A 169 3.621 2.850 0.038 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.774 3.889 2.649 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.268 2.245 2.311 1.00 0.47 H new ATOM 0 HG LEU A 169 6.651 3.719 1.164 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.905 1.859 2.179 1.00 0.73 H new ATOM 0 HD12 LEU A 169 6.955 2.754 3.389 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.383 1.176 2.798 1.00 0.73 H new ATOM 0 HD21 LEU A 169 7.113 1.688 -0.152 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.560 0.997 0.375 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.585 2.458 -0.642 1.00 0.62 H new ATOM 252 N LEU A 170 2.428 5.142 2.109 1.00 0.31 N ATOM 253 CA LEU A 170 1.204 5.631 2.731 1.00 0.33 C ATOM 254 C LEU A 170 0.136 5.897 1.678 1.00 0.26 C ATOM 255 O LEU A 170 -0.992 5.416 1.788 1.00 0.27 O ATOM 256 CB LEU A 170 1.485 6.906 3.530 1.00 0.42 C ATOM 257 CG LEU A 170 2.397 6.720 4.743 1.00 0.52 C ATOM 258 CD1 LEU A 170 2.630 8.049 5.445 1.00 0.63 C ATOM 259 CD2 LEU A 170 1.799 5.703 5.705 1.00 0.60 C ATOM 0 H LEU A 170 3.254 5.709 2.300 1.00 0.31 H new ATOM 0 HA LEU A 170 0.836 4.863 3.412 1.00 0.33 H new ATOM 0 HB2 LEU A 170 1.936 7.642 2.864 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.536 7.322 3.868 1.00 0.42 H new ATOM 0 HG LEU A 170 3.360 6.343 4.397 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.281 7.897 6.306 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.100 8.748 4.754 1.00 0.63 H new ATOM 0 HD13 LEU A 170 1.676 8.456 5.780 1.00 0.63 H new ATOM 0 HD21 LEU A 170 2.460 5.582 6.563 1.00 0.60 H new ATOM 0 HD22 LEU A 170 0.824 6.053 6.044 1.00 0.60 H new ATOM 0 HD23 LEU A 170 1.684 4.745 5.197 1.00 0.60 H new ATOM 271 N LEU A 171 0.498 6.667 0.657 1.00 0.23 N ATOM 272 CA LEU A 171 -0.429 6.989 -0.421 1.00 0.22 C ATOM 273 C LEU A 171 -1.031 5.716 -1.005 1.00 0.18 C ATOM 274 O LEU A 171 -2.242 5.621 -1.201 1.00 0.21 O ATOM 275 CB LEU A 171 0.286 7.780 -1.519 1.00 0.26 C ATOM 276 CG LEU A 171 0.856 9.130 -1.081 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.629 9.779 -2.219 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.258 10.048 -0.601 1.00 0.40 C ATOM 0 H LEU A 171 1.425 7.079 0.554 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.233 7.601 -0.011 1.00 0.22 H new ATOM 0 HB2 LEU A 171 1.099 7.171 -1.913 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.413 7.947 -2.338 1.00 0.26 H new ATOM 0 HG LEU A 171 1.544 8.960 -0.253 1.00 0.33 H new ATOM 0 HD11 LEU A 171 2.027 10.738 -1.888 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.451 9.129 -2.518 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.964 9.936 -3.068 1.00 0.39 H new ATOM 0 HD21 LEU A 171 0.166 11.004 -0.293 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -0.970 10.210 -1.410 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.769 9.588 0.245 1.00 0.40 H new ATOM 290 N SER A 172 -0.174 4.739 -1.281 1.00 0.16 N ATOM 291 CA SER A 172 -0.617 3.468 -1.841 1.00 0.16 C ATOM 292 C SER A 172 -1.745 2.872 -1.007 1.00 0.15 C ATOM 293 O SER A 172 -2.799 2.516 -1.535 1.00 0.19 O ATOM 294 CB SER A 172 0.552 2.485 -1.915 1.00 0.19 C ATOM 295 OG SER A 172 1.525 2.915 -2.851 1.00 0.23 O ATOM 0 H SER A 172 0.832 4.803 -1.126 1.00 0.16 H new ATOM 0 HA SER A 172 -0.991 3.653 -2.848 1.00 0.16 H new ATOM 0 HB2 SER A 172 1.010 2.385 -0.931 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.184 1.499 -2.197 1.00 0.19 H new ATOM 0 HG SER A 172 2.050 3.647 -2.464 1.00 0.23 H new ATOM 301 N HIS A 173 -1.519 2.765 0.299 1.00 0.13 N ATOM 302 CA HIS A 173 -2.520 2.210 1.203 1.00 0.17 C ATOM 303 C HIS A 173 -3.789 3.056 1.189 1.00 0.22 C ATOM 304 O HIS A 173 -4.888 2.541 0.988 1.00 0.27 O ATOM 305 CB HIS A 173 -1.967 2.127 2.626 1.00 0.20 C ATOM 306 CG HIS A 173 -0.746 1.268 2.749 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.525 1.783 2.898 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.606 -0.079 2.756 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.392 0.790 2.990 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.732 -0.349 2.907 1.00 0.27 N ATOM 0 H HIS A 173 -0.653 3.055 0.754 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.766 1.205 0.859 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.729 3.133 2.973 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.742 1.737 3.285 1.00 0.20 H new ATOM 0 HD1 HIS A 173 0.759 2.775 2.932 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.399 -0.806 2.661 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.460 0.893 3.112 1.00 0.29 H new ATOM 319 N LEU A 174 -3.628 4.358 1.402 1.00 0.23 N ATOM 320 CA LEU A 174 -4.761 5.275 1.418 1.00 0.29 C ATOM 321 C LEU A 174 -5.538 5.207 0.107 1.00 0.29 C ATOM 322 O LEU A 174 -6.759 5.052 0.104 1.00 0.34 O ATOM 323 CB LEU A 174 -4.283 6.706 1.669 1.00 0.32 C ATOM 324 CG LEU A 174 -3.540 6.914 2.991 1.00 0.36 C ATOM 325 CD1 LEU A 174 -3.117 8.367 3.142 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.410 6.486 4.162 1.00 0.47 C ATOM 0 H LEU A 174 -2.724 4.801 1.566 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.426 4.975 2.228 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.628 7.004 0.850 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -5.146 7.371 1.645 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.643 6.295 2.984 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.590 8.496 4.087 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.457 8.641 2.319 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -4.000 9.006 3.128 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.867 6.640 5.094 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.324 7.080 4.172 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.664 5.431 4.060 1.00 0.47 H new ATOM 338 N LEU A 175 -4.823 5.324 -1.007 1.00 0.26 N ATOM 339 CA LEU A 175 -5.448 5.272 -2.324 1.00 0.28 C ATOM 340 C LEU A 175 -6.164 3.941 -2.532 1.00 0.27 C ATOM 341 O LEU A 175 -7.294 3.903 -3.019 1.00 0.29 O ATOM 342 CB LEU A 175 -4.400 5.483 -3.419 1.00 0.30 C ATOM 343 CG LEU A 175 -3.767 6.875 -3.445 1.00 0.33 C ATOM 344 CD1 LEU A 175 -2.744 6.976 -4.567 1.00 0.37 C ATOM 345 CD2 LEU A 175 -4.839 7.944 -3.602 1.00 0.41 C ATOM 0 H LEU A 175 -3.812 5.455 -1.024 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.186 6.072 -2.382 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.610 4.743 -3.293 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -4.864 5.293 -4.387 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.254 7.038 -2.497 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.304 7.973 -4.570 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -1.960 6.234 -4.413 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.234 6.793 -5.523 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.371 8.928 -3.619 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.379 7.783 -4.535 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.535 7.887 -2.765 1.00 0.41 H new ATOM 357 N ALA A 176 -5.500 2.852 -2.160 1.00 0.26 N ATOM 358 CA ALA A 176 -6.077 1.522 -2.302 1.00 0.27 C ATOM 359 C ALA A 176 -7.402 1.426 -1.553 1.00 0.26 C ATOM 360 O ALA A 176 -8.425 1.030 -2.119 1.00 0.27 O ATOM 361 CB ALA A 176 -5.102 0.474 -1.791 1.00 0.27 C ATOM 0 H ALA A 176 -4.563 2.865 -1.758 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.270 1.339 -3.359 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.542 -0.517 -1.901 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.177 0.526 -2.366 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.886 0.660 -0.739 1.00 0.27 H new ATOM 367 N ILE A 177 -7.381 1.795 -0.275 1.00 0.27 N ATOM 368 CA ILE A 177 -8.583 1.759 0.544 1.00 0.28 C ATOM 369 C ILE A 177 -9.662 2.646 -0.061 1.00 0.26 C ATOM 370 O ILE A 177 -10.830 2.267 -0.122 1.00 0.26 O ATOM 371 CB ILE A 177 -8.296 2.210 1.991 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.247 1.300 2.633 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.576 2.208 2.816 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.863 1.713 4.037 1.00 0.62 C ATOM 0 H ILE A 177 -6.546 2.121 0.212 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.931 0.726 0.570 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.906 3.227 1.964 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.629 0.279 2.655 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.354 1.293 2.008 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.353 2.529 3.834 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.298 2.892 2.369 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.994 1.202 2.836 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.116 1.022 4.428 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.451 2.722 4.020 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.746 1.693 4.676 1.00 0.62 H new ATOM 386 N GLY A 178 -9.260 3.828 -0.520 1.00 0.26 N ATOM 387 CA GLY A 178 -10.206 4.745 -1.125 1.00 0.27 C ATOM 388 C GLY A 178 -11.019 4.077 -2.213 1.00 0.26 C ATOM 389 O GLY A 178 -12.231 4.270 -2.302 1.00 0.28 O ATOM 0 H GLY A 178 -8.298 4.165 -0.483 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.876 5.135 -0.358 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.670 5.597 -1.543 1.00 0.27 H new ATOM 393 N LEU A 179 -10.347 3.286 -3.046 1.00 0.25 N ATOM 394 CA LEU A 179 -11.020 2.572 -4.120 1.00 0.27 C ATOM 395 C LEU A 179 -12.039 1.606 -3.535 1.00 0.26 C ATOM 396 O LEU A 179 -13.189 1.559 -3.972 1.00 0.28 O ATOM 397 CB LEU A 179 -10.006 1.806 -4.974 1.00 0.33 C ATOM 398 CG LEU A 179 -8.913 2.666 -5.609 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.951 1.801 -6.411 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.526 3.742 -6.491 1.00 0.43 C ATOM 0 H LEU A 179 -9.341 3.126 -2.996 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.531 3.296 -4.755 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.533 1.045 -4.354 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.542 1.284 -5.766 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.353 3.154 -4.811 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.180 2.430 -6.856 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.486 1.068 -5.752 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.498 1.285 -7.200 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.733 4.344 -6.934 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -10.112 3.274 -7.282 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -10.173 4.380 -5.890 1.00 0.43 H new ATOM 412 N GLY A 180 -11.608 0.842 -2.537 1.00 0.25 N ATOM 413 CA GLY A 180 -12.496 -0.109 -1.894 1.00 0.27 C ATOM 414 C GLY A 180 -13.722 0.560 -1.303 1.00 0.26 C ATOM 415 O GLY A 180 -14.849 0.121 -1.532 1.00 0.29 O ATOM 0 H GLY A 180 -10.660 0.864 -2.162 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.808 -0.860 -2.620 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -11.955 -0.633 -1.106 1.00 0.27 H new ATOM 419 N ILE A 181 -13.502 1.628 -0.542 1.00 0.28 N ATOM 420 CA ILE A 181 -14.597 2.363 0.082 1.00 0.34 C ATOM 421 C ILE A 181 -15.640 2.769 -0.955 1.00 0.32 C ATOM 422 O ILE A 181 -16.841 2.605 -0.738 1.00 0.36 O ATOM 423 CB ILE A 181 -14.084 3.626 0.806 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.067 3.247 1.882 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.243 4.398 1.423 1.00 0.49 C ATOM 426 CD1 ILE A 181 -13.665 2.463 3.028 1.00 0.89 C ATOM 0 H ILE A 181 -12.575 2.004 -0.343 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.055 1.697 0.814 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.594 4.267 0.073 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.270 2.659 1.427 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -12.609 4.155 2.274 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -14.861 5.285 1.929 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -15.938 4.698 0.639 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -15.760 3.764 2.143 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -12.886 2.228 3.754 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -14.442 3.057 3.509 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.098 1.538 2.649 1.00 0.89 H new ATOM 438 N TYR A 182 -15.173 3.298 -2.080 1.00 0.31 N ATOM 439 CA TYR A 182 -16.063 3.731 -3.151 1.00 0.35 C ATOM 440 C TYR A 182 -16.929 2.574 -3.644 1.00 0.36 C ATOM 441 O TYR A 182 -18.130 2.735 -3.851 1.00 0.42 O ATOM 442 CB TYR A 182 -15.247 4.309 -4.310 1.00 0.39 C ATOM 443 CG TYR A 182 -16.092 4.822 -5.455 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.705 6.067 -5.387 1.00 1.43 C ATOM 445 CD2 TYR A 182 -16.272 4.065 -6.605 1.00 1.19 C ATOM 446 CE1 TYR A 182 -17.474 6.542 -6.433 1.00 1.56 C ATOM 447 CE2 TYR A 182 -17.038 4.532 -7.656 1.00 1.21 C ATOM 448 CZ TYR A 182 -17.637 5.770 -7.565 1.00 0.81 C ATOM 449 OH TYR A 182 -18.401 6.239 -8.609 1.00 0.98 O ATOM 0 H TYR A 182 -14.181 3.438 -2.274 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.721 4.505 -2.756 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.627 5.123 -3.935 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.571 3.540 -4.685 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.579 6.674 -4.502 1.00 1.43 H new ATOM 0 HD2 TYR A 182 -15.805 3.094 -6.679 1.00 1.19 H new ATOM 0 HE1 TYR A 182 -17.944 7.512 -6.365 1.00 1.56 H new ATOM 0 HE2 TYR A 182 -17.167 3.930 -8.544 1.00 1.21 H new ATOM 0 HH TYR A 182 -18.413 5.575 -9.329 1.00 0.98 H new ATOM 459 N ILE A 183 -16.311 1.411 -3.832 1.00 0.35 N ATOM 460 CA ILE A 183 -17.032 0.231 -4.297 1.00 0.43 C ATOM 461 C ILE A 183 -18.102 -0.193 -3.294 1.00 0.45 C ATOM 462 O ILE A 183 -19.253 -0.428 -3.661 1.00 0.55 O ATOM 463 CB ILE A 183 -16.075 -0.954 -4.543 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.990 -0.561 -5.546 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.850 -2.166 -5.042 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.920 -1.617 -5.728 1.00 0.83 C ATOM 0 H ILE A 183 -15.315 1.261 -3.670 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.509 0.504 -5.238 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.595 -1.216 -3.600 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.455 -0.357 -6.510 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.521 0.366 -5.216 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -16.161 -2.994 -5.211 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.591 -2.456 -4.297 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.354 -1.917 -5.976 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -13.185 -1.269 -6.453 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.428 -1.804 -4.774 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.376 -2.539 -6.088 1.00 0.83 H new ATOM 478 N GLY A 184 -17.713 -0.289 -2.027 1.00 0.40 N ATOM 479 CA GLY A 184 -18.646 -0.687 -0.988 1.00 0.46 C ATOM 480 C GLY A 184 -19.801 0.284 -0.830 1.00 0.52 C ATOM 481 O GLY A 184 -20.964 -0.118 -0.848 1.00 0.64 O ATOM 0 H GLY A 184 -16.766 -0.098 -1.700 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -19.039 -1.677 -1.219 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.114 -0.768 -0.040 1.00 0.46 H new ATOM 485 N ARG A 185 -19.480 1.565 -0.672 1.00 0.48 N ATOM 486 CA ARG A 185 -20.501 2.593 -0.504 1.00 0.59 C ATOM 487 C ARG A 185 -21.422 2.651 -1.718 1.00 0.67 C ATOM 488 O ARG A 185 -22.588 3.031 -1.607 1.00 0.83 O ATOM 489 CB ARG A 185 -19.847 3.959 -0.273 1.00 0.59 C ATOM 490 CG ARG A 185 -18.937 4.405 -1.402 1.00 0.51 C ATOM 491 CD ARG A 185 -19.700 5.173 -2.472 1.00 0.85 C ATOM 492 NE ARG A 185 -20.360 6.357 -1.929 1.00 1.32 N ATOM 493 CZ ARG A 185 -21.090 7.194 -2.659 1.00 1.98 C ATOM 494 NH1 ARG A 185 -21.262 6.970 -3.955 1.00 2.27 N ATOM 495 NH2 ARG A 185 -21.651 8.254 -2.093 1.00 2.54 N ATOM 0 H ARG A 185 -18.522 1.915 -0.657 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.101 2.335 0.369 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -20.629 4.706 -0.133 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.271 3.923 0.652 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.141 5.033 -1.001 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -18.460 3.534 -1.850 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -19.013 5.472 -3.263 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.444 4.519 -2.926 1.00 0.85 H new ATOM 0 HE ARG A 185 -20.255 6.553 -0.933 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -20.834 6.154 -4.393 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -21.823 7.613 -4.514 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -21.522 8.428 -1.096 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -22.211 8.896 -2.655 1.00 2.54 H new ATOM 509 N ARG A 186 -20.892 2.272 -2.876 1.00 0.63 N ATOM 510 CA ARG A 186 -21.670 2.281 -4.110 1.00 0.74 C ATOM 511 C ARG A 186 -22.857 1.330 -4.006 1.00 0.85 C ATOM 512 O ARG A 186 -23.911 1.568 -4.596 1.00 1.06 O ATOM 513 CB ARG A 186 -20.789 1.884 -5.297 1.00 0.80 C ATOM 514 CG ARG A 186 -20.837 2.863 -6.461 1.00 1.24 C ATOM 515 CD ARG A 186 -22.085 2.672 -7.313 1.00 1.58 C ATOM 516 NE ARG A 186 -23.297 3.119 -6.632 1.00 2.38 N ATOM 517 CZ ARG A 186 -24.521 2.957 -7.127 1.00 2.95 C ATOM 518 NH1 ARG A 186 -24.691 2.369 -8.302 1.00 2.93 N ATOM 519 NH2 ARG A 186 -25.574 3.388 -6.447 1.00 3.95 N ATOM 0 H ARG A 186 -19.929 1.955 -2.986 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.046 3.292 -4.268 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -19.758 1.792 -4.956 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -21.096 0.900 -5.651 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -20.811 3.883 -6.078 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -19.950 2.733 -7.082 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -21.972 3.223 -8.247 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -22.186 1.619 -7.574 1.00 1.58 H new ATOM 0 HE ARG A 186 -23.200 3.581 -5.728 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -23.882 2.039 -8.829 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -25.631 2.246 -8.679 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -25.446 3.844 -5.544 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -26.512 3.264 -6.827 1.00 3.95 H new ATOM 775 N PRO B 167 7.335 -8.198 -1.662 1.00 0.73 N ATOM 776 CA PRO B 167 6.006 -8.816 -1.579 1.00 0.63 C ATOM 777 C PRO B 167 5.059 -8.039 -0.670 1.00 0.56 C ATOM 778 O PRO B 167 3.841 -8.087 -0.843 1.00 0.69 O ATOM 779 CB PRO B 167 6.280 -10.210 -1.000 1.00 0.87 C ATOM 780 CG PRO B 167 7.640 -10.127 -0.396 1.00 1.07 C ATOM 781 CD PRO B 167 8.394 -9.112 -1.205 1.00 0.96 C ATOM 0 HA PRO B 167 5.515 -8.839 -2.552 1.00 0.63 H new ATOM 0 HB2 PRO B 167 5.534 -10.479 -0.252 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.241 -10.973 -1.777 1.00 0.87 H new ATOM 0 HG2 PRO B 167 7.584 -9.827 0.651 1.00 1.07 H new ATOM 0 HG3 PRO B 167 8.139 -11.096 -0.424 1.00 1.07 H new ATOM 0 HD2 PRO B 167 9.143 -8.594 -0.606 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.918 -9.572 -2.042 1.00 0.96 H new ATOM 789 N SER B 168 5.624 -7.324 0.296 1.00 0.55 N ATOM 790 CA SER B 168 4.823 -6.537 1.226 1.00 0.55 C ATOM 791 C SER B 168 4.046 -5.454 0.488 1.00 0.44 C ATOM 792 O SER B 168 2.876 -5.207 0.781 1.00 0.41 O ATOM 793 CB SER B 168 5.716 -5.902 2.294 1.00 0.72 C ATOM 794 OG SER B 168 6.410 -6.892 3.033 1.00 1.59 O ATOM 0 H SER B 168 6.630 -7.273 0.455 1.00 0.55 H new ATOM 0 HA SER B 168 4.112 -7.206 1.710 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.431 -5.229 1.821 1.00 0.72 H new ATOM 0 HB3 SER B 168 5.109 -5.299 2.969 1.00 0.72 H new ATOM 0 HG SER B 168 6.975 -6.461 3.708 1.00 1.59 H new ATOM 800 N LEU B 169 4.703 -4.811 -0.471 1.00 0.46 N ATOM 801 CA LEU B 169 4.074 -3.753 -1.252 1.00 0.45 C ATOM 802 C LEU B 169 2.857 -4.282 -2.006 1.00 0.33 C ATOM 803 O LEU B 169 1.801 -3.651 -2.015 1.00 0.31 O ATOM 804 CB LEU B 169 5.078 -3.152 -2.240 1.00 0.60 C ATOM 805 CG LEU B 169 6.334 -2.554 -1.604 1.00 0.77 C ATOM 806 CD1 LEU B 169 7.227 -1.936 -2.669 1.00 1.09 C ATOM 807 CD2 LEU B 169 5.958 -1.519 -0.554 1.00 0.77 C ATOM 0 H LEU B 169 5.671 -5.004 -0.726 1.00 0.46 H new ATOM 0 HA LEU B 169 3.743 -2.976 -0.563 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.380 -3.927 -2.944 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.576 -2.375 -2.817 1.00 0.60 H new ATOM 0 HG LEU B 169 6.888 -3.355 -1.114 1.00 0.77 H new ATOM 0 HD11 LEU B 169 8.116 -1.515 -2.199 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.523 -2.703 -3.385 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.682 -1.147 -3.187 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.864 -1.104 -0.112 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.383 -0.720 -1.021 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.358 -1.991 0.224 1.00 0.77 H new ATOM 819 N LEU B 170 3.012 -5.444 -2.630 1.00 0.34 N ATOM 820 CA LEU B 170 1.925 -6.053 -3.388 1.00 0.36 C ATOM 821 C LEU B 170 0.746 -6.378 -2.479 1.00 0.28 C ATOM 822 O LEU B 170 -0.394 -6.014 -2.769 1.00 0.32 O ATOM 823 CB LEU B 170 2.409 -7.322 -4.095 1.00 0.47 C ATOM 824 CG LEU B 170 3.353 -7.090 -5.280 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.637 -6.416 -4.823 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.660 -8.404 -5.984 1.00 0.72 C ATOM 0 H LEU B 170 3.878 -5.983 -2.626 1.00 0.34 H new ATOM 0 HA LEU B 170 1.595 -5.336 -4.140 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.916 -7.954 -3.366 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.539 -7.876 -4.447 1.00 0.47 H new ATOM 0 HG LEU B 170 2.854 -6.428 -5.988 1.00 0.59 H new ATOM 0 HD11 LEU B 170 5.292 -6.261 -5.681 1.00 0.60 H new ATOM 0 HD12 LEU B 170 4.401 -5.454 -4.368 1.00 0.60 H new ATOM 0 HD13 LEU B 170 5.140 -7.049 -4.092 1.00 0.60 H new ATOM 0 HD21 LEU B 170 4.332 -8.219 -6.822 1.00 0.72 H new ATOM 0 HD22 LEU B 170 4.135 -9.090 -5.283 1.00 0.72 H new ATOM 0 HD23 LEU B 170 2.733 -8.845 -6.352 1.00 0.72 H new ATOM 838 N LEU B 171 1.027 -7.067 -1.379 1.00 0.24 N ATOM 839 CA LEU B 171 -0.010 -7.436 -0.422 1.00 0.26 C ATOM 840 C LEU B 171 -0.722 -6.194 0.103 1.00 0.23 C ATOM 841 O LEU B 171 -1.944 -6.182 0.253 1.00 0.29 O ATOM 842 CB LEU B 171 0.597 -8.223 0.740 1.00 0.32 C ATOM 843 CG LEU B 171 1.292 -9.525 0.345 1.00 0.38 C ATOM 844 CD1 LEU B 171 1.898 -10.198 1.566 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.313 -10.460 -0.351 1.00 0.50 C ATOM 0 H LEU B 171 1.964 -7.381 -1.127 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.740 -8.065 -0.932 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.317 -7.586 1.254 1.00 0.32 H new ATOM 0 HB3 LEU B 171 -0.193 -8.453 1.455 1.00 0.32 H new ATOM 0 HG LEU B 171 2.097 -9.289 -0.351 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.389 -11.124 1.265 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.629 -9.532 2.023 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.111 -10.422 2.286 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.824 -11.383 -0.626 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.513 -10.689 0.323 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.074 -9.978 -1.249 1.00 0.50 H new ATOM 857 N SER B 172 0.054 -5.151 0.383 1.00 0.18 N ATOM 858 CA SER B 172 -0.497 -3.901 0.892 1.00 0.19 C ATOM 859 C SER B 172 -1.582 -3.362 -0.034 1.00 0.14 C ATOM 860 O SER B 172 -2.690 -3.058 0.406 1.00 0.18 O ATOM 861 CB SER B 172 0.613 -2.861 1.055 1.00 0.23 C ATOM 862 OG SER B 172 1.529 -3.246 2.066 1.00 0.31 O ATOM 0 H SER B 172 1.067 -5.148 0.266 1.00 0.18 H new ATOM 0 HA SER B 172 -0.946 -4.102 1.865 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.141 -2.737 0.110 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.176 -1.894 1.305 1.00 0.23 H new ATOM 0 HG SER B 172 2.021 -4.042 1.775 1.00 0.31 H new ATOM 868 N HIS B 173 -1.259 -3.242 -1.318 1.00 0.12 N ATOM 869 CA HIS B 173 -2.211 -2.734 -2.301 1.00 0.15 C ATOM 870 C HIS B 173 -3.449 -3.621 -2.377 1.00 0.20 C ATOM 871 O HIS B 173 -4.574 -3.140 -2.260 1.00 0.25 O ATOM 872 CB HIS B 173 -1.556 -2.642 -3.681 1.00 0.19 C ATOM 873 CG HIS B 173 -0.456 -1.629 -3.760 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.879 -1.957 -3.645 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.497 -0.289 -3.951 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.610 -0.862 -3.762 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.799 0.162 -3.949 1.00 0.28 N ATOM 0 H HIS B 173 -0.347 -3.489 -1.702 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.518 -1.738 -1.982 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.157 -3.620 -3.950 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.319 -2.395 -4.419 1.00 0.19 H new ATOM 0 HD1 HIS B 173 1.245 -2.897 -3.493 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.384 0.313 -4.081 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.688 -0.814 -3.713 1.00 0.30 H new ATOM 0 HE2 HIS B 173 1.089 1.132 -4.072 1.00 0.28 H new ATOM 886 N LEU B 174 -3.234 -4.918 -2.568 1.00 0.21 N ATOM 887 CA LEU B 174 -4.340 -5.865 -2.663 1.00 0.28 C ATOM 888 C LEU B 174 -5.175 -5.860 -1.388 1.00 0.28 C ATOM 889 O LEU B 174 -6.395 -5.706 -1.432 1.00 0.31 O ATOM 890 CB LEU B 174 -3.810 -7.275 -2.933 1.00 0.32 C ATOM 891 CG LEU B 174 -2.999 -7.424 -4.222 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.504 -8.854 -4.378 1.00 0.40 C ATOM 893 CD2 LEU B 174 -3.833 -7.012 -5.425 1.00 0.44 C ATOM 0 H LEU B 174 -2.308 -5.337 -2.660 1.00 0.21 H new ATOM 0 HA LEU B 174 -4.977 -5.557 -3.493 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.187 -7.580 -2.092 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.654 -7.963 -2.971 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.132 -6.766 -4.163 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -1.929 -8.942 -5.300 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.871 -9.114 -3.530 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.357 -9.532 -4.416 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.241 -7.124 -6.334 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.718 -7.645 -5.488 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.138 -5.971 -5.317 1.00 0.44 H new ATOM 905 N LEU B 175 -4.509 -6.031 -0.252 1.00 0.27 N ATOM 906 CA LEU B 175 -5.188 -6.043 1.038 1.00 0.30 C ATOM 907 C LEU B 175 -5.856 -4.701 1.317 1.00 0.27 C ATOM 908 O LEU B 175 -6.991 -4.648 1.791 1.00 0.28 O ATOM 909 CB LEU B 175 -4.198 -6.377 2.156 1.00 0.33 C ATOM 910 CG LEU B 175 -3.562 -7.766 2.064 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.522 -7.950 3.158 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.630 -8.845 2.153 1.00 0.46 C ATOM 0 H LEU B 175 -3.499 -6.163 -0.198 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.961 -6.811 1.005 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.404 -5.630 2.153 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.712 -6.292 3.113 1.00 0.33 H new ATOM 0 HG LEU B 175 -3.063 -7.855 1.099 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.080 -8.943 3.077 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.742 -7.196 3.049 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.997 -7.843 4.133 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.162 -9.827 2.086 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.157 -8.758 3.103 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.338 -8.724 1.333 1.00 0.46 H new ATOM 924 N ALA B 176 -5.146 -3.618 1.017 1.00 0.25 N ATOM 925 CA ALA B 176 -5.666 -2.275 1.244 1.00 0.23 C ATOM 926 C ALA B 176 -7.035 -2.089 0.596 1.00 0.20 C ATOM 927 O ALA B 176 -7.990 -1.672 1.253 1.00 0.20 O ATOM 928 CB ALA B 176 -4.688 -1.237 0.717 1.00 0.24 C ATOM 0 H ALA B 176 -4.209 -3.645 0.616 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.785 -2.140 2.319 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.088 -0.238 0.892 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.733 -1.342 1.233 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.541 -1.386 -0.353 1.00 0.24 H new ATOM 934 N ILE B 177 -7.129 -2.402 -0.692 1.00 0.20 N ATOM 935 CA ILE B 177 -8.387 -2.265 -1.416 1.00 0.20 C ATOM 936 C ILE B 177 -9.457 -3.175 -0.824 1.00 0.20 C ATOM 937 O ILE B 177 -10.613 -2.776 -0.673 1.00 0.20 O ATOM 938 CB ILE B 177 -8.219 -2.591 -2.912 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.122 -1.720 -3.527 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.535 -2.388 -3.647 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.890 -1.989 -4.997 1.00 0.31 C ATOM 0 H ILE B 177 -6.352 -2.751 -1.254 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.698 -1.225 -1.317 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.925 -3.636 -3.010 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.386 -0.671 -3.395 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.191 -1.885 -2.984 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.402 -2.622 -4.703 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.294 -3.045 -3.223 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.854 -1.351 -3.543 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -6.099 -1.336 -5.366 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.595 -3.029 -5.134 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.808 -1.796 -5.552 1.00 0.31 H new ATOM 953 N GLY B 178 -9.066 -4.400 -0.487 1.00 0.23 N ATOM 954 CA GLY B 178 -10.005 -5.346 0.088 1.00 0.26 C ATOM 955 C GLY B 178 -10.658 -4.817 1.349 1.00 0.24 C ATOM 956 O GLY B 178 -11.882 -4.856 1.486 1.00 0.26 O ATOM 0 H GLY B 178 -8.116 -4.754 -0.602 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.776 -5.581 -0.646 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.486 -6.277 0.314 1.00 0.26 H new ATOM 960 N LEU B 179 -9.841 -4.322 2.274 1.00 0.25 N ATOM 961 CA LEU B 179 -10.348 -3.779 3.528 1.00 0.28 C ATOM 962 C LEU B 179 -11.319 -2.635 3.265 1.00 0.25 C ATOM 963 O LEU B 179 -12.365 -2.535 3.906 1.00 0.29 O ATOM 964 CB LEU B 179 -9.190 -3.291 4.401 1.00 0.33 C ATOM 965 CG LEU B 179 -8.151 -4.357 4.750 1.00 0.39 C ATOM 966 CD1 LEU B 179 -6.996 -3.743 5.527 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.793 -5.483 5.546 1.00 0.43 C ATOM 0 H LEU B 179 -8.826 -4.286 2.178 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.879 -4.572 4.054 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.689 -2.470 3.888 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.598 -2.886 5.327 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.757 -4.772 3.822 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.267 -4.517 5.767 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.521 -2.971 4.922 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.372 -3.301 6.450 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.040 -6.234 5.787 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.214 -5.083 6.468 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.586 -5.941 4.954 1.00 0.43 H new ATOM 979 N GLY B 180 -10.966 -1.774 2.317 1.00 0.22 N ATOM 980 CA GLY B 180 -11.819 -0.650 1.982 1.00 0.23 C ATOM 981 C GLY B 180 -13.222 -1.083 1.605 1.00 0.22 C ATOM 982 O GLY B 180 -14.203 -0.555 2.125 1.00 0.27 O ATOM 0 H GLY B 180 -10.104 -1.835 1.775 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -11.868 0.032 2.831 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.377 -0.096 1.154 1.00 0.23 H new ATOM 986 N ILE B 181 -13.316 -2.052 0.699 1.00 0.21 N ATOM 987 CA ILE B 181 -14.610 -2.555 0.255 1.00 0.27 C ATOM 988 C ILE B 181 -15.423 -3.083 1.432 1.00 0.29 C ATOM 989 O ILE B 181 -16.615 -2.798 1.555 1.00 0.35 O ATOM 990 CB ILE B 181 -14.450 -3.678 -0.789 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.637 -3.181 -1.985 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.813 -4.180 -1.242 1.00 0.44 C ATOM 993 CD1 ILE B 181 -13.450 -4.227 -3.063 1.00 0.93 C ATOM 0 H ILE B 181 -12.513 -2.503 0.260 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.136 -1.718 -0.203 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.914 -4.507 -0.328 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -14.133 -2.311 -2.416 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.659 -2.850 -1.637 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.682 -4.972 -1.979 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.361 -4.569 -0.384 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.373 -3.358 -1.688 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -12.865 -3.806 -3.881 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -12.927 -5.088 -2.648 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.424 -4.541 -3.438 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.770 -3.854 2.295 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.429 -4.424 3.464 1.00 0.40 C ATOM 1007 C TYR B 182 -16.119 -3.334 4.279 1.00 0.44 C ATOM 1008 O TYR B 182 -17.298 -3.446 4.616 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.410 -5.162 4.335 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.030 -5.983 5.443 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.529 -5.378 6.589 1.00 1.25 C ATOM 1012 CD2 TYR B 182 -15.109 -7.367 5.345 1.00 1.42 C ATOM 1013 CE1 TYR B 182 -16.091 -6.126 7.605 1.00 1.30 C ATOM 1014 CE2 TYR B 182 -15.670 -8.123 6.356 1.00 1.52 C ATOM 1015 CZ TYR B 182 -16.159 -7.498 7.484 1.00 0.84 C ATOM 1016 OH TYR B 182 -16.717 -8.248 8.495 1.00 0.99 O ATOM 0 H TYR B 182 -13.784 -4.099 2.207 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.185 -5.131 3.122 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -13.813 -5.818 3.701 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.727 -4.434 4.774 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.477 -4.304 6.688 1.00 1.25 H new ATOM 0 HD2 TYR B 182 -14.725 -7.860 4.464 1.00 1.42 H new ATOM 0 HE1 TYR B 182 -16.475 -5.639 8.489 1.00 1.30 H new ATOM 0 HE2 TYR B 182 -15.725 -9.198 6.264 1.00 1.52 H new ATOM 0 HH TYR B 182 -16.688 -9.197 8.252 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.373 -2.279 4.592 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.907 -1.164 5.366 1.00 0.55 C ATOM 1028 C ILE B 183 -17.052 -0.479 4.626 1.00 0.56 C ATOM 1029 O ILE B 183 -18.068 -0.124 5.224 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.814 -0.122 5.675 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.633 -0.787 6.384 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.382 1.006 6.522 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.462 0.143 6.611 1.00 1.10 C ATOM 0 H ILE B 183 -14.395 -2.173 4.321 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.280 -1.578 6.303 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.458 0.301 4.735 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -13.969 -1.176 7.345 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.299 -1.641 5.794 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -14.598 1.734 6.732 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -16.194 1.493 5.982 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.762 0.601 7.460 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.662 -0.396 7.118 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -12.099 0.512 5.652 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.780 0.984 7.227 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.879 -0.297 3.321 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.899 0.351 2.517 1.00 0.55 C ATOM 1047 C GLY B 184 -19.211 -0.411 2.504 1.00 0.61 C ATOM 1048 O GLY B 184 -20.274 0.169 2.728 1.00 0.72 O ATOM 0 H GLY B 184 -16.049 -0.587 2.805 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -18.072 1.357 2.900 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.536 0.457 1.495 1.00 0.55 H new ATOM 1052 N ARG B 185 -19.138 -1.712 2.244 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.331 -2.550 2.195 1.00 0.70 C ATOM 1054 C ARG B 185 -21.059 -2.560 3.536 1.00 0.81 C ATOM 1055 O ARG B 185 -22.276 -2.734 3.589 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.964 -3.979 1.792 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.957 -4.632 2.717 1.00 0.66 C ATOM 1058 CD ARG B 185 -18.981 -6.146 2.585 1.00 0.80 C ATOM 1059 NE ARG B 185 -18.811 -6.576 1.200 1.00 1.20 N ATOM 1060 CZ ARG B 185 -18.866 -7.847 0.811 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -19.077 -8.805 1.703 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -18.711 -8.159 -0.468 1.00 2.16 N ATOM 0 H ARG B 185 -18.266 -2.209 2.064 1.00 0.58 H new ATOM 0 HA ARG B 185 -21.001 -2.127 1.446 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.870 -4.585 1.769 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.561 -3.970 0.779 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.958 -4.261 2.489 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.173 -4.352 3.748 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.189 -6.576 3.198 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -19.926 -6.529 2.970 1.00 0.80 H new ATOM 0 HE ARG B 185 -18.641 -5.862 0.491 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -19.197 -8.568 2.688 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -19.119 -9.779 1.405 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -18.549 -7.424 -1.156 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -18.754 -9.134 -0.764 1.00 2.16 H new