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= -1.19! C(o=-1!,f=-8.8!) USER MOD Set 1.2: B 172 SER OG : rot -125:sc= 0.183 USER MOD Set 2.1: A 172 SER OG : rot 69:sc= 0.326 USER MOD Set 2.2: B 173 HIS : +bothHN:sc= -2.57! C(o=-2.2!,f=-4.5!) 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 6.815 8.023 1.339 1.00 0.73 N ATOM 209 CA PRO A 167 5.534 8.694 1.095 1.00 0.67 C ATOM 210 C PRO A 167 4.711 7.998 0.016 1.00 0.55 C ATOM 211 O PRO A 167 3.483 8.073 0.015 1.00 0.58 O ATOM 212 CB PRO A 167 5.941 10.095 0.639 1.00 0.86 C ATOM 213 CG PRO A 167 7.301 9.923 0.059 1.00 0.98 C ATOM 214 CD PRO A 167 7.957 8.828 0.854 1.00 0.91 C ATOM 0 HA PRO A 167 4.900 8.691 1.982 1.00 0.67 H new ATOM 0 HB2 PRO A 167 5.243 10.490 -0.099 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.952 10.796 1.474 1.00 0.86 H new ATOM 0 HG2 PRO A 167 7.244 9.658 -0.997 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.873 10.849 0.125 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.634 8.235 0.239 1.00 0.91 H new ATOM 0 HD3 PRO A 167 8.545 9.228 1.680 1.00 0.91 H new ATOM 222 N SER A 168 5.395 7.320 -0.901 1.00 0.55 N ATOM 223 CA SER A 168 4.723 6.610 -1.981 1.00 0.52 C ATOM 224 C SER A 168 3.854 5.483 -1.431 1.00 0.39 C ATOM 225 O SER A 168 2.683 5.359 -1.788 1.00 0.33 O ATOM 226 CB SER A 168 5.747 6.046 -2.967 1.00 0.66 C ATOM 227 OG SER A 168 5.108 5.359 -4.030 1.00 1.47 O ATOM 0 H SER A 168 6.412 7.248 -0.917 1.00 0.55 H new ATOM 0 HA SER A 168 4.081 7.319 -2.504 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.355 6.857 -3.368 1.00 0.66 H new ATOM 0 HB3 SER A 168 6.423 5.368 -2.446 1.00 0.66 H new ATOM 0 HG SER A 168 5.784 5.009 -4.647 1.00 1.47 H new ATOM 233 N LEU A 169 4.436 4.664 -0.558 1.00 0.40 N ATOM 234 CA LEU A 169 3.709 3.551 0.041 1.00 0.36 C ATOM 235 C LEU A 169 2.491 4.049 0.810 1.00 0.28 C ATOM 236 O LEU A 169 1.398 3.497 0.684 1.00 0.26 O ATOM 237 CB LEU A 169 4.624 2.756 0.975 1.00 0.47 C ATOM 238 CG LEU A 169 5.802 2.060 0.294 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.533 1.164 1.281 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.327 1.258 -0.907 1.00 0.62 C ATOM 0 H LEU A 169 5.405 4.751 -0.252 1.00 0.40 H new ATOM 0 HA LEU A 169 3.369 2.899 -0.764 1.00 0.36 H new ATOM 0 HB2 LEU A 169 5.013 3.431 1.738 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.026 2.004 1.490 1.00 0.47 H new ATOM 0 HG LEU A 169 6.497 2.823 -0.058 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.369 0.676 0.780 1.00 0.73 H new ATOM 0 HD12 LEU A 169 6.908 1.765 2.110 1.00 0.73 H new ATOM 0 HD13 LEU A 169 5.847 0.408 1.663 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.180 0.770 -1.379 1.00 0.62 H new ATOM 0 HD22 LEU A 169 4.612 0.503 -0.581 1.00 0.62 H new ATOM 0 HD23 LEU A 169 4.849 1.925 -1.624 1.00 0.62 H new ATOM 252 N LEU A 170 2.684 5.095 1.607 1.00 0.31 N ATOM 253 CA LEU A 170 1.597 5.666 2.393 1.00 0.33 C ATOM 254 C LEU A 170 0.395 5.964 1.507 1.00 0.26 C ATOM 255 O LEU A 170 -0.732 5.576 1.819 1.00 0.27 O ATOM 256 CB LEU A 170 2.059 6.943 3.097 1.00 0.42 C ATOM 257 CG LEU A 170 3.137 6.743 4.163 1.00 0.52 C ATOM 258 CD1 LEU A 170 3.533 8.077 4.776 1.00 0.63 C ATOM 259 CD2 LEU A 170 2.649 5.783 5.238 1.00 0.60 C ATOM 0 H LEU A 170 3.582 5.564 1.725 1.00 0.31 H new ATOM 0 HA LEU A 170 1.302 4.937 3.147 1.00 0.33 H new ATOM 0 HB2 LEU A 170 2.437 7.637 2.346 1.00 0.42 H new ATOM 0 HB3 LEU A 170 1.194 7.416 3.562 1.00 0.42 H new ATOM 0 HG LEU A 170 4.017 6.309 3.689 1.00 0.52 H new ATOM 0 HD11 LEU A 170 4.301 7.916 5.533 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.922 8.734 3.998 1.00 0.63 H new ATOM 0 HD13 LEU A 170 2.660 8.539 5.238 1.00 0.63 H new ATOM 0 HD21 LEU A 170 3.428 5.651 5.989 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.755 6.190 5.710 1.00 0.60 H new ATOM 0 HD23 LEU A 170 2.414 4.819 4.786 1.00 0.60 H new ATOM 271 N LEU A 171 0.641 6.657 0.401 1.00 0.23 N ATOM 272 CA LEU A 171 -0.421 7.003 -0.534 1.00 0.22 C ATOM 273 C LEU A 171 -1.106 5.745 -1.057 1.00 0.18 C ATOM 274 O LEU A 171 -2.330 5.700 -1.184 1.00 0.21 O ATOM 275 CB LEU A 171 0.139 7.820 -1.701 1.00 0.26 C ATOM 276 CG LEU A 171 0.738 9.173 -1.313 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.289 9.886 -2.539 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.306 10.035 -0.619 1.00 0.40 C ATOM 0 H LEU A 171 1.566 6.990 0.131 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.158 7.607 -0.005 1.00 0.22 H new ATOM 0 HB2 LEU A 171 0.906 7.230 -2.203 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.659 7.987 -2.424 1.00 0.26 H new ATOM 0 HG LEU A 171 1.561 9.000 -0.619 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.711 10.846 -2.242 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.066 9.274 -2.997 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.485 10.049 -3.257 1.00 0.39 H new ATOM 0 HD21 LEU A 171 0.135 10.994 -0.349 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.148 10.199 -1.292 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.655 9.530 0.282 1.00 0.40 H new ATOM 290 N SER A 172 -0.310 4.724 -1.358 1.00 0.16 N ATOM 291 CA SER A 172 -0.843 3.464 -1.863 1.00 0.16 C ATOM 292 C SER A 172 -1.870 2.884 -0.895 1.00 0.15 C ATOM 293 O SER A 172 -2.990 2.556 -1.286 1.00 0.19 O ATOM 294 CB SER A 172 0.290 2.460 -2.082 1.00 0.19 C ATOM 295 OG SER A 172 1.208 2.929 -3.054 1.00 0.23 O ATOM 0 H SER A 172 0.705 4.744 -1.261 1.00 0.16 H new ATOM 0 HA SER A 172 -1.336 3.660 -2.815 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.811 2.284 -1.141 1.00 0.19 H new ATOM 0 HB3 SER A 172 -0.124 1.504 -2.401 1.00 0.19 H new ATOM 0 HG SER A 172 1.697 3.700 -2.697 1.00 0.23 H new ATOM 301 N HIS A 173 -1.480 2.762 0.370 1.00 0.13 N ATOM 302 CA HIS A 173 -2.369 2.226 1.393 1.00 0.17 C ATOM 303 C HIS A 173 -3.608 3.102 1.544 1.00 0.22 C ATOM 304 O HIS A 173 -4.736 2.613 1.493 1.00 0.27 O ATOM 305 CB HIS A 173 -1.638 2.121 2.734 1.00 0.20 C ATOM 306 CG HIS A 173 -0.444 1.216 2.700 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.819 1.652 2.360 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.323 -0.106 2.971 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.665 0.638 2.423 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.998 -0.439 2.792 1.00 0.27 N ATOM 0 H HIS A 173 -0.556 3.027 0.710 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.683 1.230 1.082 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.320 3.117 3.043 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.335 1.760 3.490 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.063 2.608 2.100 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.117 -0.774 3.272 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.723 0.683 2.209 1.00 0.29 H new ATOM 319 N LEU A 174 -3.389 4.400 1.728 1.00 0.23 N ATOM 320 CA LEU A 174 -4.487 5.347 1.886 1.00 0.29 C ATOM 321 C LEU A 174 -5.405 5.325 0.665 1.00 0.29 C ATOM 322 O LEU A 174 -6.621 5.178 0.791 1.00 0.34 O ATOM 323 CB LEU A 174 -3.940 6.760 2.105 1.00 0.32 C ATOM 324 CG LEU A 174 -3.068 6.928 3.352 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.541 8.351 3.449 1.00 0.41 C ATOM 326 CD2 LEU A 174 -3.853 6.562 4.602 1.00 0.47 C ATOM 0 H LEU A 174 -2.461 4.820 1.771 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.069 5.051 2.759 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.357 7.048 1.230 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.779 7.453 2.170 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.216 6.253 3.270 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -1.924 8.450 4.342 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -1.943 8.578 2.567 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.379 9.046 3.508 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.219 6.687 5.480 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -4.724 7.212 4.688 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.180 5.524 4.535 1.00 0.47 H new ATOM 338 N LEU A 175 -4.813 5.473 -0.516 1.00 0.26 N ATOM 339 CA LEU A 175 -5.575 5.466 -1.759 1.00 0.28 C ATOM 340 C LEU A 175 -6.286 4.133 -1.953 1.00 0.27 C ATOM 341 O LEU A 175 -7.453 4.090 -2.343 1.00 0.29 O ATOM 342 CB LEU A 175 -4.653 5.744 -2.949 1.00 0.30 C ATOM 343 CG LEU A 175 -4.046 7.147 -2.984 1.00 0.33 C ATOM 344 CD1 LEU A 175 -3.064 7.274 -4.140 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.141 8.197 -3.096 1.00 0.41 C ATOM 0 H LEU A 175 -3.808 5.599 -0.638 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.327 6.253 -1.699 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.843 5.015 -2.940 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.215 5.585 -3.869 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.504 7.312 -2.053 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.642 8.279 -4.150 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.263 6.545 -4.019 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.583 7.090 -5.080 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.692 9.190 -3.120 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.709 8.034 -4.012 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.808 8.121 -2.237 1.00 0.41 H new ATOM 357 N ALA A 176 -5.575 3.045 -1.677 1.00 0.26 N ATOM 358 CA ALA A 176 -6.136 1.708 -1.820 1.00 0.27 C ATOM 359 C ALA A 176 -7.453 1.587 -1.060 1.00 0.26 C ATOM 360 O ALA A 176 -8.472 1.177 -1.621 1.00 0.27 O ATOM 361 CB ALA A 176 -5.140 0.672 -1.328 1.00 0.27 C ATOM 0 H ALA A 176 -4.608 3.064 -1.353 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.339 1.529 -2.876 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.567 -0.325 -1.438 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.224 0.741 -1.914 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.913 0.855 -0.278 1.00 0.27 H new ATOM 367 N ILE A 177 -7.427 1.952 0.219 1.00 0.27 N ATOM 368 CA ILE A 177 -8.622 1.892 1.049 1.00 0.28 C ATOM 369 C ILE A 177 -9.738 2.721 0.429 1.00 0.26 C ATOM 370 O ILE A 177 -10.893 2.297 0.391 1.00 0.26 O ATOM 371 CB ILE A 177 -8.344 2.398 2.480 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.248 1.555 3.134 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.616 2.362 3.316 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.862 2.031 4.518 1.00 0.62 C ATOM 0 H ILE A 177 -6.594 2.291 0.700 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.928 0.847 1.106 1.00 0.28 H new ATOM 0 HB ILE A 177 -8.002 3.431 2.424 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.585 0.520 3.196 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.364 1.565 2.496 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.401 2.722 4.322 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.372 2.999 2.856 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.988 1.339 3.369 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.080 1.386 4.920 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.494 3.055 4.461 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.734 1.995 5.172 1.00 0.62 H new ATOM 386 N GLY A 178 -9.383 3.907 -0.057 1.00 0.26 N ATOM 387 CA GLY A 178 -10.366 4.772 -0.679 1.00 0.27 C ATOM 388 C GLY A 178 -11.099 4.076 -1.806 1.00 0.26 C ATOM 389 O GLY A 178 -12.315 4.211 -1.944 1.00 0.28 O ATOM 0 H GLY A 178 -8.435 4.282 -0.031 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -11.084 5.103 0.071 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.872 5.664 -1.064 1.00 0.27 H new ATOM 393 N LEU A 179 -10.356 3.327 -2.617 1.00 0.25 N ATOM 394 CA LEU A 179 -10.945 2.599 -3.734 1.00 0.27 C ATOM 395 C LEU A 179 -11.988 1.609 -3.229 1.00 0.26 C ATOM 396 O LEU A 179 -13.122 1.586 -3.707 1.00 0.28 O ATOM 397 CB LEU A 179 -9.865 1.853 -4.521 1.00 0.33 C ATOM 398 CG LEU A 179 -8.698 2.715 -5.000 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.755 1.900 -5.873 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.208 3.933 -5.755 1.00 0.43 C ATOM 0 H LEU A 179 -9.347 3.209 -2.521 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.426 3.320 -4.394 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.471 1.051 -3.896 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.329 1.383 -5.388 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.145 3.060 -4.127 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -6.930 2.531 -6.205 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.362 1.061 -5.299 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.296 1.524 -6.741 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.363 4.535 -6.088 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -9.786 3.609 -6.620 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -9.841 4.529 -5.098 1.00 0.43 H new ATOM 412 N GLY A 180 -11.593 0.790 -2.259 1.00 0.25 N ATOM 413 CA GLY A 180 -12.507 -0.191 -1.702 1.00 0.27 C ATOM 414 C GLY A 180 -13.818 0.428 -1.257 1.00 0.26 C ATOM 415 O GLY A 180 -14.889 -0.127 -1.501 1.00 0.29 O ATOM 0 H GLY A 180 -10.659 0.788 -1.850 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.706 -0.962 -2.447 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.034 -0.683 -0.852 1.00 0.27 H new ATOM 419 N ILE A 181 -13.733 1.582 -0.601 1.00 0.28 N ATOM 420 CA ILE A 181 -14.920 2.279 -0.121 1.00 0.34 C ATOM 421 C ILE A 181 -15.826 2.683 -1.280 1.00 0.32 C ATOM 422 O ILE A 181 -17.022 2.392 -1.277 1.00 0.36 O ATOM 423 CB ILE A 181 -14.543 3.540 0.685 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.635 3.170 1.857 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.796 4.245 1.184 1.00 0.49 C ATOM 426 CD1 ILE A 181 -14.286 2.235 2.852 1.00 0.89 C ATOM 0 H ILE A 181 -12.853 2.054 -0.390 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.453 1.586 0.530 1.00 0.34 H new ATOM 0 HB ILE A 181 -14.001 4.222 0.030 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.729 2.703 1.471 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.330 4.081 2.372 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.513 5.132 1.751 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.411 4.538 0.334 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.362 3.570 1.826 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.585 2.015 3.657 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -15.177 2.707 3.266 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.566 1.308 2.351 1.00 0.89 H new ATOM 438 N TYR A 182 -15.247 3.355 -2.269 1.00 0.31 N ATOM 439 CA TYR A 182 -16.000 3.801 -3.435 1.00 0.35 C ATOM 440 C TYR A 182 -16.685 2.623 -4.121 1.00 0.36 C ATOM 441 O TYR A 182 -17.885 2.662 -4.393 1.00 0.42 O ATOM 442 CB TYR A 182 -15.072 4.517 -4.418 1.00 0.39 C ATOM 443 CG TYR A 182 -15.795 5.177 -5.570 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.587 6.299 -5.362 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.682 4.684 -6.863 1.00 1.43 C ATOM 446 CE1 TYR A 182 -17.248 6.911 -6.411 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.340 5.290 -7.918 1.00 1.56 C ATOM 448 CZ TYR A 182 -17.121 6.402 -7.686 1.00 0.81 C ATOM 449 OH TYR A 182 -17.776 7.009 -8.733 1.00 0.98 O ATOM 0 H TYR A 182 -14.258 3.603 -2.286 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.769 4.497 -3.101 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.501 5.273 -3.879 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.355 3.799 -4.815 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.688 6.700 -4.364 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -15.070 3.813 -7.048 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -17.860 7.783 -6.233 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -16.242 4.894 -8.918 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.581 6.528 -9.564 1.00 0.98 H new ATOM 459 N ILE A 183 -15.914 1.577 -4.395 1.00 0.35 N ATOM 460 CA ILE A 183 -16.444 0.387 -5.048 1.00 0.43 C ATOM 461 C ILE A 183 -17.551 -0.250 -4.212 1.00 0.45 C ATOM 462 O ILE A 183 -18.584 -0.656 -4.743 1.00 0.55 O ATOM 463 CB ILE A 183 -15.336 -0.657 -5.293 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.216 -0.049 -6.138 1.00 0.54 C ATOM 465 CG2 ILE A 183 -15.907 -1.893 -5.972 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.066 -0.999 -6.394 1.00 0.83 C ATOM 0 H ILE A 183 -14.919 1.529 -4.175 1.00 0.35 H new ATOM 0 HA ILE A 183 -16.853 0.705 -6.007 1.00 0.43 H new ATOM 0 HB ILE A 183 -14.922 -0.958 -4.331 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -14.628 0.275 -7.094 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -13.836 0.841 -5.636 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -15.110 -2.618 -6.137 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -16.675 -2.335 -5.337 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -16.346 -1.612 -6.930 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -12.309 -0.500 -6.999 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -12.627 -1.304 -5.444 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -13.432 -1.879 -6.924 1.00 0.83 H new ATOM 478 N GLY A 184 -17.326 -0.332 -2.906 1.00 0.40 N ATOM 479 CA GLY A 184 -18.309 -0.925 -2.018 1.00 0.46 C ATOM 480 C GLY A 184 -19.626 -0.170 -2.005 1.00 0.52 C ATOM 481 O GLY A 184 -20.694 -0.770 -2.133 1.00 0.64 O ATOM 0 H GLY A 184 -16.479 0.002 -2.445 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -18.490 -1.956 -2.322 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -17.905 -0.957 -1.006 1.00 0.46 H new ATOM 485 N ARG A 185 -19.553 1.148 -1.849 1.00 0.48 N ATOM 486 CA ARG A 185 -20.750 1.981 -1.809 1.00 0.59 C ATOM 487 C ARG A 185 -21.530 1.908 -3.120 1.00 0.67 C ATOM 488 O ARG A 185 -22.761 1.900 -3.117 1.00 0.83 O ATOM 489 CB ARG A 185 -20.377 3.433 -1.499 1.00 0.59 C ATOM 490 CG ARG A 185 -19.439 4.053 -2.514 1.00 0.51 C ATOM 491 CD ARG A 185 -19.323 5.558 -2.324 1.00 0.85 C ATOM 492 NE ARG A 185 -18.870 5.905 -0.979 1.00 1.32 N ATOM 493 CZ ARG A 185 -18.822 7.150 -0.515 1.00 1.98 C ATOM 494 NH1 ARG A 185 -19.193 8.163 -1.285 1.00 2.27 N ATOM 495 NH2 ARG A 185 -18.403 7.382 0.722 1.00 2.54 N ATOM 0 H ARG A 185 -18.678 1.662 -1.748 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.392 1.598 -1.016 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -21.288 4.029 -1.448 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.912 3.477 -0.514 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.453 3.597 -2.425 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -19.799 3.839 -3.521 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -18.626 5.964 -3.057 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.291 6.023 -2.512 1.00 0.85 H new ATOM 0 HE ARG A 185 -18.574 5.149 -0.361 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -19.517 7.989 -2.236 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -19.155 9.117 -0.926 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -18.117 6.605 1.318 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -18.366 8.337 1.077 1.00 2.54 H new ATOM 509 N ARG A 186 -20.815 1.854 -4.238 1.00 0.63 N ATOM 510 CA ARG A 186 -21.461 1.787 -5.545 1.00 0.74 C ATOM 511 C ARG A 186 -22.041 0.398 -5.817 1.00 0.85 C ATOM 512 O ARG A 186 -22.768 0.206 -6.792 1.00 1.06 O ATOM 513 CB ARG A 186 -20.479 2.171 -6.655 1.00 0.80 C ATOM 514 CG ARG A 186 -19.371 1.157 -6.876 1.00 1.24 C ATOM 515 CD ARG A 186 -18.510 1.532 -8.072 1.00 1.58 C ATOM 516 NE ARG A 186 -17.537 0.494 -8.398 1.00 2.38 N ATOM 517 CZ ARG A 186 -16.673 0.585 -9.404 1.00 2.95 C ATOM 518 NH1 ARG A 186 -16.663 1.665 -10.175 1.00 2.93 N ATOM 519 NH2 ARG A 186 -15.819 -0.402 -9.642 1.00 3.95 N ATOM 0 H ARG A 186 -19.795 1.855 -4.267 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.284 2.501 -5.536 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -21.031 2.300 -7.586 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -20.032 3.135 -6.413 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -18.749 1.094 -5.983 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -19.805 0.169 -7.033 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -19.150 1.712 -8.936 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -17.987 2.465 -7.863 1.00 1.58 H new ATOM 0 HE ARG A 186 -17.519 -0.348 -7.822 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -17.318 2.426 -9.996 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -16.000 1.734 -10.947 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -15.824 -1.234 -9.052 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -15.157 -0.329 -10.415 1.00 3.95 H new ATOM 775 N PRO B 167 6.819 -8.529 -3.410 1.00 0.73 N ATOM 776 CA PRO B 167 5.459 -9.007 -3.126 1.00 0.63 C ATOM 777 C PRO B 167 4.786 -8.215 -2.011 1.00 0.56 C ATOM 778 O PRO B 167 3.598 -7.903 -2.089 1.00 0.69 O ATOM 779 CB PRO B 167 5.665 -10.464 -2.697 1.00 0.87 C ATOM 780 CG PRO B 167 7.084 -10.535 -2.254 1.00 1.07 C ATOM 781 CD PRO B 167 7.834 -9.560 -3.115 1.00 0.96 C ATOM 0 HA PRO B 167 4.805 -8.895 -3.991 1.00 0.63 H new ATOM 0 HB2 PRO B 167 4.985 -10.738 -1.891 1.00 0.87 H new ATOM 0 HB3 PRO B 167 5.474 -11.150 -3.522 1.00 0.87 H new ATOM 0 HG2 PRO B 167 7.177 -10.276 -1.199 1.00 1.07 H new ATOM 0 HG3 PRO B 167 7.480 -11.544 -2.371 1.00 1.07 H new ATOM 0 HD2 PRO B 167 8.695 -9.141 -2.594 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.209 -10.030 -4.025 1.00 0.96 H new ATOM 789 N SER B 168 5.553 -7.889 -0.974 1.00 0.55 N ATOM 790 CA SER B 168 5.030 -7.135 0.163 1.00 0.55 C ATOM 791 C SER B 168 4.215 -5.930 -0.298 1.00 0.44 C ATOM 792 O SER B 168 3.155 -5.637 0.254 1.00 0.41 O ATOM 793 CB SER B 168 6.177 -6.671 1.063 1.00 0.72 C ATOM 794 OG SER B 168 5.689 -5.941 2.176 1.00 1.59 O ATOM 0 H SER B 168 6.540 -8.135 -0.897 1.00 0.55 H new ATOM 0 HA SER B 168 4.372 -7.796 0.727 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.743 -7.535 1.411 1.00 0.72 H new ATOM 0 HB3 SER B 168 6.865 -6.049 0.490 1.00 0.72 H new ATOM 0 HG SER B 168 6.441 -5.657 2.736 1.00 1.59 H new ATOM 800 N LEU B 169 4.719 -5.232 -1.311 1.00 0.46 N ATOM 801 CA LEU B 169 4.034 -4.060 -1.846 1.00 0.45 C ATOM 802 C LEU B 169 2.672 -4.439 -2.421 1.00 0.33 C ATOM 803 O LEU B 169 1.658 -3.811 -2.108 1.00 0.31 O ATOM 804 CB LEU B 169 4.889 -3.391 -2.924 1.00 0.60 C ATOM 805 CG LEU B 169 6.278 -2.945 -2.464 1.00 0.77 C ATOM 806 CD1 LEU B 169 7.006 -2.225 -3.588 1.00 1.09 C ATOM 807 CD2 LEU B 169 6.171 -2.053 -1.236 1.00 0.77 C ATOM 0 H LEU B 169 5.598 -5.457 -1.777 1.00 0.46 H new ATOM 0 HA LEU B 169 3.878 -3.357 -1.028 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.004 -4.084 -3.757 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.352 -2.522 -3.304 1.00 0.60 H new ATOM 0 HG LEU B 169 6.854 -3.831 -2.196 1.00 0.77 H new ATOM 0 HD11 LEU B 169 7.992 -1.915 -3.243 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.114 -2.896 -4.440 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.434 -1.347 -3.888 1.00 1.09 H new ATOM 0 HD21 LEU B 169 7.168 -1.745 -0.922 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.578 -1.171 -1.478 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.690 -2.603 -0.427 1.00 0.77 H new ATOM 819 N LEU B 170 2.654 -5.470 -3.260 1.00 0.34 N ATOM 820 CA LEU B 170 1.415 -5.928 -3.874 1.00 0.36 C ATOM 821 C LEU B 170 0.393 -6.301 -2.807 1.00 0.28 C ATOM 822 O LEU B 170 -0.789 -5.976 -2.925 1.00 0.32 O ATOM 823 CB LEU B 170 1.676 -7.124 -4.794 1.00 0.47 C ATOM 824 CG LEU B 170 2.407 -6.796 -6.101 1.00 0.59 C ATOM 825 CD1 LEU B 170 3.845 -6.383 -5.829 1.00 0.60 C ATOM 826 CD2 LEU B 170 2.363 -7.987 -7.047 1.00 0.72 C ATOM 0 H LEU B 170 3.482 -6.002 -3.529 1.00 0.34 H new ATOM 0 HA LEU B 170 1.013 -5.111 -4.472 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.260 -7.863 -4.246 1.00 0.47 H new ATOM 0 HB3 LEU B 170 0.721 -7.590 -5.038 1.00 0.47 H new ATOM 0 HG LEU B 170 1.898 -5.957 -6.575 1.00 0.59 H new ATOM 0 HD11 LEU B 170 4.343 -6.155 -6.772 1.00 0.60 H new ATOM 0 HD12 LEU B 170 3.855 -5.500 -5.191 1.00 0.60 H new ATOM 0 HD13 LEU B 170 4.369 -7.198 -5.329 1.00 0.60 H new ATOM 0 HD21 LEU B 170 2.886 -7.738 -7.970 1.00 0.72 H new ATOM 0 HD22 LEU B 170 2.845 -8.844 -6.576 1.00 0.72 H new ATOM 0 HD23 LEU B 170 1.326 -8.234 -7.273 1.00 0.72 H new ATOM 838 N LEU B 171 0.855 -6.983 -1.764 1.00 0.24 N ATOM 839 CA LEU B 171 -0.021 -7.390 -0.673 1.00 0.26 C ATOM 840 C LEU B 171 -0.665 -6.171 -0.025 1.00 0.23 C ATOM 841 O LEU B 171 -1.860 -6.169 0.271 1.00 0.29 O ATOM 842 CB LEU B 171 0.763 -8.187 0.372 1.00 0.32 C ATOM 843 CG LEU B 171 1.489 -9.422 -0.165 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.194 -10.162 0.961 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.511 -10.342 -0.878 1.00 0.50 C ATOM 0 H LEU B 171 1.829 -7.265 -1.652 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.807 -8.025 -1.082 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.496 -7.527 0.835 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.076 -8.501 1.157 1.00 0.32 H new ATOM 0 HG LEU B 171 2.242 -9.094 -0.882 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.704 -11.037 0.558 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.923 -9.501 1.430 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.461 -10.479 1.703 1.00 0.47 H new ATOM 0 HD21 LEU B 171 1.042 -11.216 -1.255 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.263 -10.661 -0.180 1.00 0.50 H new ATOM 0 HD23 LEU B 171 0.052 -9.810 -1.711 1.00 0.50 H new ATOM 857 N SER B 172 0.135 -5.131 0.187 1.00 0.18 N ATOM 858 CA SER B 172 -0.356 -3.900 0.793 1.00 0.19 C ATOM 859 C SER B 172 -1.551 -3.357 0.018 1.00 0.14 C ATOM 860 O SER B 172 -2.602 -3.078 0.594 1.00 0.18 O ATOM 861 CB SER B 172 0.754 -2.848 0.841 1.00 0.23 C ATOM 862 OG SER B 172 1.790 -3.235 1.728 1.00 0.31 O ATOM 0 H SER B 172 1.126 -5.117 -0.052 1.00 0.18 H new ATOM 0 HA SER B 172 -0.673 -4.127 1.811 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.163 -2.702 -0.159 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.339 -1.892 1.158 1.00 0.23 H new ATOM 0 HG SER B 172 1.939 -2.525 2.387 1.00 0.31 H new ATOM 868 N HIS B 173 -1.380 -3.212 -1.292 1.00 0.12 N ATOM 869 CA HIS B 173 -2.448 -2.703 -2.146 1.00 0.15 C ATOM 870 C HIS B 173 -3.687 -3.588 -2.053 1.00 0.20 C ATOM 871 O HIS B 173 -4.789 -3.105 -1.798 1.00 0.25 O ATOM 872 CB HIS B 173 -1.976 -2.623 -3.599 1.00 0.19 C ATOM 873 CG HIS B 173 -0.851 -1.660 -3.816 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.454 -2.058 -4.027 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.839 -0.306 -3.862 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.216 -0.993 -4.193 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.456 0.083 -4.098 1.00 0.28 N ATOM 0 H HIS B 173 -0.516 -3.439 -1.784 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.708 -1.703 -1.800 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.661 -3.615 -3.924 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.817 -2.333 -4.229 1.00 0.19 H new ATOM 0 HD1 HIS B 173 0.779 -3.025 -4.051 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.691 0.346 -3.736 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.280 -1.000 -4.376 1.00 0.30 H new ATOM 0 HE2 HIS B 173 0.779 1.047 -4.186 1.00 0.28 H new ATOM 886 N LEU B 174 -3.499 -4.888 -2.258 1.00 0.21 N ATOM 887 CA LEU B 174 -4.604 -5.838 -2.200 1.00 0.28 C ATOM 888 C LEU B 174 -5.302 -5.785 -0.844 1.00 0.28 C ATOM 889 O LEU B 174 -6.525 -5.671 -0.770 1.00 0.31 O ATOM 890 CB LEU B 174 -4.103 -7.256 -2.474 1.00 0.32 C ATOM 891 CG LEU B 174 -3.529 -7.477 -3.874 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.967 -8.883 -4.005 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.596 -7.227 -4.929 1.00 0.44 C ATOM 0 H LEU B 174 -2.593 -5.307 -2.466 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.325 -5.561 -2.969 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.336 -7.503 -1.740 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.927 -7.953 -2.321 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.716 -6.768 -4.030 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.563 -9.021 -5.008 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -2.174 -9.028 -3.271 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.760 -9.610 -3.830 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -4.172 -7.388 -5.920 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -5.429 -7.913 -4.774 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.953 -6.200 -4.850 1.00 0.44 H new ATOM 905 N LEU B 175 -4.517 -5.867 0.225 1.00 0.27 N ATOM 906 CA LEU B 175 -5.064 -5.829 1.575 1.00 0.30 C ATOM 907 C LEU B 175 -5.768 -4.503 1.842 1.00 0.27 C ATOM 908 O LEU B 175 -6.886 -4.475 2.356 1.00 0.28 O ATOM 909 CB LEU B 175 -3.957 -6.048 2.607 1.00 0.33 C ATOM 910 CG LEU B 175 -3.312 -7.434 2.579 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.245 -7.548 3.657 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.367 -8.514 2.755 1.00 0.46 C ATOM 0 H LEU B 175 -3.502 -5.960 0.182 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.795 -6.632 1.663 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.181 -5.299 2.449 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.369 -5.875 3.601 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.835 -7.573 1.609 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -1.797 -8.541 3.622 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.474 -6.796 3.487 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.698 -7.389 4.636 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -3.891 -9.494 2.733 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -4.872 -8.377 3.711 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.096 -8.446 1.947 1.00 0.46 H new ATOM 924 N ALA B 176 -5.107 -3.405 1.492 1.00 0.25 N ATOM 925 CA ALA B 176 -5.675 -2.079 1.702 1.00 0.23 C ATOM 926 C ALA B 176 -7.046 -1.959 1.044 1.00 0.20 C ATOM 927 O ALA B 176 -8.026 -1.582 1.690 1.00 0.20 O ATOM 928 CB ALA B 176 -4.735 -1.013 1.165 1.00 0.24 C ATOM 0 H ALA B 176 -4.181 -3.407 1.063 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.802 -1.930 2.774 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.171 -0.028 1.328 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.778 -1.077 1.684 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.580 -1.169 0.097 1.00 0.24 H new ATOM 934 N ILE B 177 -7.114 -2.287 -0.244 1.00 0.20 N ATOM 935 CA ILE B 177 -8.370 -2.217 -0.979 1.00 0.20 C ATOM 936 C ILE B 177 -9.396 -3.174 -0.381 1.00 0.20 C ATOM 937 O ILE B 177 -10.566 -2.823 -0.222 1.00 0.20 O ATOM 938 CB ILE B 177 -8.177 -2.545 -2.474 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.156 -1.592 -3.101 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.506 -2.457 -3.209 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.866 -1.888 -4.556 1.00 0.31 C ATOM 0 H ILE B 177 -6.317 -2.602 -0.797 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.733 -1.193 -0.895 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.799 -3.563 -2.561 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.524 -0.570 -3.013 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.226 -1.646 -2.535 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.355 -2.691 -4.263 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.209 -3.169 -2.776 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.908 -1.448 -3.115 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -6.135 -1.174 -4.934 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.468 -2.898 -4.649 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.786 -1.805 -5.134 1.00 0.31 H new ATOM 953 N GLY B 178 -8.950 -4.380 -0.047 1.00 0.23 N ATOM 954 CA GLY B 178 -9.843 -5.362 0.538 1.00 0.26 C ATOM 955 C GLY B 178 -10.582 -4.811 1.740 1.00 0.24 C ATOM 956 O GLY B 178 -11.803 -4.926 1.834 1.00 0.26 O ATOM 0 H GLY B 178 -7.988 -4.694 -0.171 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.563 -5.689 -0.212 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.271 -6.241 0.836 1.00 0.26 H new ATOM 960 N LEU B 179 -9.837 -4.211 2.661 1.00 0.25 N ATOM 961 CA LEU B 179 -10.427 -3.630 3.860 1.00 0.28 C ATOM 962 C LEU B 179 -11.466 -2.580 3.487 1.00 0.25 C ATOM 963 O LEU B 179 -12.567 -2.559 4.034 1.00 0.29 O ATOM 964 CB LEU B 179 -9.340 -3.006 4.737 1.00 0.33 C ATOM 965 CG LEU B 179 -8.259 -3.977 5.212 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.185 -3.240 5.996 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.873 -5.086 6.054 1.00 0.43 C ATOM 0 H LEU B 179 -8.823 -4.114 2.600 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.920 -4.424 4.422 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.864 -2.199 4.180 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.812 -2.556 5.610 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.792 -4.429 4.337 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.425 -3.948 6.326 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.725 -2.483 5.360 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.634 -2.759 6.865 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.090 -5.768 6.384 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.366 -4.652 6.924 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.604 -5.633 5.458 1.00 0.43 H new ATOM 979 N GLY B 180 -11.106 -1.709 2.548 1.00 0.22 N ATOM 980 CA GLY B 180 -12.023 -0.675 2.112 1.00 0.23 C ATOM 981 C GLY B 180 -13.339 -1.246 1.623 1.00 0.22 C ATOM 982 O GLY B 180 -14.409 -0.810 2.047 1.00 0.27 O ATOM 0 H GLY B 180 -10.198 -1.702 2.084 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.211 0.013 2.937 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.561 -0.095 1.313 1.00 0.23 H new ATOM 986 N ILE B 181 -13.260 -2.226 0.730 1.00 0.21 N ATOM 987 CA ILE B 181 -14.455 -2.863 0.188 1.00 0.27 C ATOM 988 C ILE B 181 -15.355 -3.373 1.310 1.00 0.29 C ATOM 989 O ILE B 181 -16.565 -3.148 1.299 1.00 0.35 O ATOM 990 CB ILE B 181 -14.089 -4.036 -0.747 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.225 -3.538 -1.906 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.347 -4.715 -1.272 1.00 0.44 C ATOM 993 CD1 ILE B 181 -12.785 -4.636 -2.851 1.00 0.93 C ATOM 0 H ILE B 181 -12.382 -2.597 0.366 1.00 0.21 H new ATOM 0 HA ILE B 181 -14.991 -2.108 -0.388 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.518 -4.769 -0.177 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -13.783 -2.789 -2.468 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.342 -3.042 -1.503 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.069 -5.539 -1.929 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -15.929 -5.099 -0.435 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -15.945 -3.993 -1.829 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -12.176 -4.208 -3.648 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -12.199 -5.374 -2.303 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -13.662 -5.117 -3.283 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.754 -4.058 2.278 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.499 -4.597 3.410 1.00 0.40 C ATOM 1007 C TYR B 182 -16.298 -3.498 4.103 1.00 0.44 C ATOM 1008 O TYR B 182 -17.497 -3.642 4.341 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.541 -5.257 4.404 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.237 -5.942 5.560 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -16.120 -6.991 5.339 1.00 1.25 C ATOM 1012 CD2 TYR B 182 -15.009 -5.541 6.870 1.00 1.42 C ATOM 1013 CE1 TYR B 182 -16.755 -7.623 6.392 1.00 1.30 C ATOM 1014 CE2 TYR B 182 -15.639 -6.167 7.928 1.00 1.52 C ATOM 1015 CZ TYR B 182 -16.511 -7.207 7.684 1.00 0.84 C ATOM 1016 OH TYR B 182 -17.138 -7.835 8.735 1.00 0.99 O ATOM 0 H TYR B 182 -13.753 -4.253 2.301 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.197 -5.347 3.037 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -13.930 -5.988 3.875 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.862 -4.500 4.798 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -16.314 -7.318 4.328 1.00 1.25 H new ATOM 0 HD2 TYR B 182 -14.328 -4.726 7.065 1.00 1.42 H new ATOM 0 HE1 TYR B 182 -17.438 -8.438 6.204 1.00 1.30 H new ATOM 0 HE2 TYR B 182 -15.450 -5.844 8.941 1.00 1.52 H new ATOM 0 HH TYR B 182 -16.856 -7.422 9.578 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.622 -2.409 4.443 1.00 0.44 N ATOM 1027 CA ILE B 183 -16.267 -1.281 5.103 1.00 0.55 C ATOM 1028 C ILE B 183 -17.330 -0.651 4.205 1.00 0.56 C ATOM 1029 O ILE B 183 -18.460 -0.413 4.634 1.00 0.67 O ATOM 1030 CB ILE B 183 -15.241 -0.204 5.502 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -14.164 -0.806 6.406 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.934 0.960 6.198 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -13.053 0.160 6.753 1.00 1.10 C ATOM 0 H ILE B 183 -14.624 -2.282 4.272 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.743 -1.670 6.003 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.763 0.173 4.598 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -14.629 -1.157 7.327 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.735 -1.678 5.914 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -15.194 1.712 6.473 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -16.668 1.402 5.524 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -16.437 0.600 7.096 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -12.327 -0.337 7.396 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -12.561 0.492 5.839 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -13.470 1.022 7.274 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.957 -0.383 2.957 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.880 0.229 2.016 1.00 0.55 C ATOM 1047 C GLY B 184 -19.102 -0.624 1.729 1.00 0.61 C ATOM 1048 O GLY B 184 -20.233 -0.155 1.851 1.00 0.72 O ATOM 0 H GLY B 184 -16.030 -0.579 2.579 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -18.203 1.193 2.410 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.356 0.426 1.081 1.00 0.55 H new ATOM 1052 N ARG B 185 -18.880 -1.880 1.347 1.00 0.58 N ATOM 1053 CA ARG B 185 -19.983 -2.785 1.039 1.00 0.70 C ATOM 1054 C ARG B 185 -20.929 -2.929 2.230 1.00 0.81 C ATOM 1055 O ARG B 185 -22.082 -3.329 2.071 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.453 -4.158 0.619 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.639 -4.854 1.695 1.00 0.66 C ATOM 1058 CD ARG B 185 -19.272 -6.170 2.112 1.00 0.80 C ATOM 1059 NE ARG B 185 -19.391 -7.097 0.990 1.00 1.20 N ATOM 1060 CZ ARG B 185 -18.421 -7.917 0.599 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -17.246 -7.906 1.217 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -18.621 -8.746 -0.416 1.00 2.16 N ATOM 0 H ARG B 185 -17.952 -2.291 1.244 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.543 -2.354 0.209 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.295 -4.794 0.344 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -18.837 -4.042 -0.273 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.629 -5.036 1.327 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -18.549 -4.201 2.563 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.673 -6.628 2.899 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -20.260 -5.981 2.533 1.00 0.80 H new ATOM 0 HE ARG B 185 -20.271 -7.116 0.475 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -17.085 -7.267 1.995 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -16.504 -8.537 0.914 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -19.520 -8.755 -0.898 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -17.876 -9.375 -0.715 1.00 2.16 H new