USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 299 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 56 SER OG : rot 30:sc= 0.151 USER MOD Single : B 168 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 216 N SER A 56 -12.188 6.203 -17.345 1.00 0.00 N ATOM 217 CA SER A 56 -11.476 7.139 -16.483 1.00 0.00 C ATOM 218 C SER A 56 -11.659 8.573 -16.970 1.00 0.00 C ATOM 219 O SER A 56 -11.993 9.466 -16.192 1.00 0.00 O ATOM 220 CB SER A 56 -9.988 6.790 -16.435 1.00 0.00 C ATOM 221 OG SER A 56 -9.793 5.432 -16.080 1.00 0.00 O ATOM 0 HA SER A 56 -11.893 7.059 -15.479 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.535 6.984 -17.407 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.484 7.433 -15.714 1.00 0.00 H new ATOM 0 HG SER A 56 -10.551 4.898 -16.399 1.00 0.00 H new ATOM 227 N ALA A 57 -11.436 8.785 -18.263 1.00 0.00 N ATOM 228 CA ALA A 57 -11.577 10.109 -18.855 1.00 0.00 C ATOM 229 C ALA A 57 -13.010 10.616 -18.732 1.00 0.00 C ATOM 230 O ALA A 57 -13.245 11.740 -18.290 1.00 0.00 O ATOM 231 CB ALA A 57 -11.148 10.083 -20.315 1.00 0.00 C ATOM 0 H ALA A 57 -11.157 8.057 -18.920 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.929 10.794 -18.309 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.259 11.079 -20.745 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.105 9.773 -20.382 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.772 9.379 -20.865 1.00 0.00 H new ATOM 237 N VAL A 58 -13.964 9.779 -19.126 1.00 0.00 N ATOM 238 CA VAL A 58 -15.375 10.142 -19.059 1.00 0.00 C ATOM 239 C VAL A 58 -15.755 10.615 -17.661 1.00 0.00 C ATOM 240 O VAL A 58 -16.552 11.539 -17.501 1.00 0.00 O ATOM 241 CB VAL A 58 -16.278 8.958 -19.452 1.00 0.00 C ATOM 242 CG1 VAL A 58 -17.744 9.358 -19.378 1.00 0.00 C ATOM 243 CG2 VAL A 58 -15.924 8.457 -20.844 1.00 0.00 C ATOM 0 H VAL A 58 -13.786 8.845 -19.495 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.527 10.956 -19.768 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.111 8.145 -18.745 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.367 8.509 -19.659 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -17.986 9.665 -18.361 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.930 10.187 -20.061 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.572 7.620 -21.105 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -16.061 9.262 -21.566 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.885 8.129 -20.859 1.00 0.00 H new ATOM 253 N VAL A 59 -15.178 9.975 -16.648 1.00 0.00 N ATOM 254 CA VAL A 59 -15.455 10.331 -15.262 1.00 0.00 C ATOM 255 C VAL A 59 -14.837 11.679 -14.907 1.00 0.00 C ATOM 256 O VAL A 59 -15.424 12.467 -14.167 1.00 0.00 O ATOM 257 CB VAL A 59 -14.920 9.262 -14.291 1.00 0.00 C ATOM 258 CG1 VAL A 59 -15.192 9.665 -12.849 1.00 0.00 C ATOM 259 CG2 VAL A 59 -15.537 7.906 -14.599 1.00 0.00 C ATOM 0 H VAL A 59 -14.516 9.207 -16.762 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.539 10.393 -15.161 1.00 0.00 H new ATOM 0 HB VAL A 59 -13.841 9.184 -14.424 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.807 8.897 -12.178 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.698 10.613 -12.637 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -16.266 9.773 -12.698 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.148 7.163 -13.903 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.620 7.967 -14.496 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -15.286 7.615 -15.619 1.00 0.00 H new ATOM 269 N GLY A 60 -13.647 11.937 -15.440 1.00 0.00 N ATOM 270 CA GLY A 60 -12.968 13.191 -15.168 1.00 0.00 C ATOM 271 C GLY A 60 -13.739 14.390 -15.683 1.00 0.00 C ATOM 272 O GLY A 60 -13.895 15.387 -14.976 1.00 0.00 O ATOM 0 H GLY A 60 -13.141 11.300 -16.055 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.818 13.294 -14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.980 13.173 -15.628 1.00 0.00 H new ATOM 276 N ILE A 61 -14.221 14.296 -16.918 1.00 0.00 N ATOM 277 CA ILE A 61 -14.979 15.383 -17.526 1.00 0.00 C ATOM 278 C ILE A 61 -16.353 15.523 -16.881 1.00 0.00 C ATOM 279 O ILE A 61 -16.816 16.633 -16.614 1.00 0.00 O ATOM 280 CB ILE A 61 -15.155 15.166 -19.041 1.00 0.00 C ATOM 281 CG1 ILE A 61 -13.829 15.393 -19.769 1.00 0.00 C ATOM 282 CG2 ILE A 61 -16.230 16.094 -19.587 1.00 0.00 C ATOM 283 CD1 ILE A 61 -12.880 14.218 -19.677 1.00 0.00 C ATOM 0 H ILE A 61 -14.100 13.479 -17.517 1.00 0.00 H new ATOM 0 HA ILE A 61 -14.409 16.297 -17.361 1.00 0.00 H new ATOM 0 HB ILE A 61 -15.469 14.136 -19.211 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -14.032 15.604 -20.819 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -13.343 16.276 -19.354 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -16.343 15.929 -20.659 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -17.176 15.889 -19.086 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.942 17.130 -19.408 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -11.961 14.449 -20.216 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -12.647 14.019 -18.631 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -13.347 13.338 -20.118 1.00 0.00 H new ATOM 295 N LEU A 62 -17.001 14.391 -16.630 1.00 0.00 N ATOM 296 CA LEU A 62 -18.323 14.387 -16.013 1.00 0.00 C ATOM 297 C LEU A 62 -18.260 14.925 -14.587 1.00 0.00 C ATOM 298 O LEU A 62 -19.177 15.608 -14.129 1.00 0.00 O ATOM 299 CB LEU A 62 -18.902 12.971 -16.011 1.00 0.00 C ATOM 300 CG LEU A 62 -19.745 12.588 -17.228 1.00 0.00 C ATOM 301 CD1 LEU A 62 -19.805 11.077 -17.382 1.00 0.00 C ATOM 302 CD2 LEU A 62 -21.146 13.170 -17.110 1.00 0.00 C ATOM 0 H LEU A 62 -16.633 13.464 -16.844 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.972 15.038 -16.599 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -18.077 12.263 -15.928 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -19.515 12.852 -15.118 1.00 0.00 H new ATOM 0 HG LEU A 62 -19.274 13.004 -18.118 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.409 10.824 -18.253 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -18.797 10.684 -17.513 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -20.252 10.638 -16.490 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -21.732 12.888 -17.985 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -21.626 12.783 -16.211 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -21.085 14.257 -17.050 1.00 0.00 H new ATOM 314 N LEU A 63 -17.172 14.614 -13.891 1.00 0.00 N ATOM 315 CA LEU A 63 -16.988 15.069 -12.517 1.00 0.00 C ATOM 316 C LEU A 63 -16.804 16.582 -12.464 1.00 0.00 C ATOM 317 O LEU A 63 -17.410 17.263 -11.637 1.00 0.00 O ATOM 318 CB LEU A 63 -15.779 14.374 -11.887 1.00 0.00 C ATOM 319 CG LEU A 63 -16.064 13.059 -11.160 1.00 0.00 C ATOM 320 CD1 LEU A 63 -14.767 12.410 -10.703 1.00 0.00 C ATOM 321 CD2 LEU A 63 -16.992 13.294 -9.977 1.00 0.00 C ATOM 0 H LEU A 63 -16.405 14.049 -14.255 1.00 0.00 H new ATOM 0 HA LEU A 63 -17.884 14.811 -11.952 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.047 14.181 -12.671 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.316 15.063 -11.181 1.00 0.00 H new ATOM 0 HG LEU A 63 -16.560 12.381 -11.855 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -14.990 11.476 -10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.137 12.206 -11.569 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -14.243 13.083 -10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -17.184 12.348 -9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -16.524 13.989 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -17.934 13.714 -10.331 1.00 0.00 H new ATOM 333 N VAL A 64 -15.964 17.102 -13.353 1.00 0.00 N ATOM 334 CA VAL A 64 -15.703 18.536 -13.410 1.00 0.00 C ATOM 335 C VAL A 64 -16.977 19.315 -13.712 1.00 0.00 C ATOM 336 O VAL A 64 -17.199 20.399 -13.171 1.00 0.00 O ATOM 337 CB VAL A 64 -14.644 18.871 -14.477 1.00 0.00 C ATOM 338 CG1 VAL A 64 -14.411 20.372 -14.546 1.00 0.00 C ATOM 339 CG2 VAL A 64 -13.345 18.134 -14.188 1.00 0.00 C ATOM 0 H VAL A 64 -15.453 16.552 -14.043 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.326 18.829 -12.430 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.014 18.541 -15.447 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.660 20.589 -15.305 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.344 20.873 -14.805 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.062 20.731 -13.578 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.608 18.382 -14.952 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.968 18.431 -13.210 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.527 17.059 -14.195 1.00 0.00 H new ATOM 349 N VAL A 65 -17.814 18.757 -14.581 1.00 0.00 N ATOM 350 CA VAL A 65 -19.069 19.398 -14.955 1.00 0.00 C ATOM 351 C VAL A 65 -20.001 19.523 -13.755 1.00 0.00 C ATOM 352 O VAL A 65 -20.504 20.606 -13.455 1.00 0.00 O ATOM 353 CB VAL A 65 -19.788 18.618 -16.071 1.00 0.00 C ATOM 354 CG1 VAL A 65 -21.118 19.274 -16.410 1.00 0.00 C ATOM 355 CG2 VAL A 65 -18.904 18.517 -17.304 1.00 0.00 C ATOM 0 H VAL A 65 -17.645 17.862 -15.039 1.00 0.00 H new ATOM 0 HA VAL A 65 -18.818 20.393 -15.322 1.00 0.00 H new ATOM 0 HB VAL A 65 -19.990 17.608 -15.713 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -21.611 18.709 -17.201 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.753 19.289 -15.524 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -20.944 20.295 -16.749 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -19.428 17.963 -18.083 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -18.669 19.518 -17.666 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -17.980 17.998 -17.048 1.00 0.00 H new ATOM 365 N VAL A 66 -20.228 18.406 -13.070 1.00 0.00 N ATOM 366 CA VAL A 66 -21.100 18.389 -11.901 1.00 0.00 C ATOM 367 C VAL A 66 -20.551 19.282 -10.794 1.00 0.00 C ATOM 368 O VAL A 66 -21.249 20.160 -10.286 1.00 0.00 O ATOM 369 CB VAL A 66 -21.277 16.961 -11.354 1.00 0.00 C ATOM 370 CG1 VAL A 66 -22.209 16.961 -10.152 1.00 0.00 C ATOM 371 CG2 VAL A 66 -21.796 16.034 -12.442 1.00 0.00 C ATOM 0 H VAL A 66 -19.820 17.501 -13.305 1.00 0.00 H new ATOM 0 HA VAL A 66 -22.070 18.769 -12.223 1.00 0.00 H new ATOM 0 HB VAL A 66 -20.304 16.592 -11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.322 15.943 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -21.790 17.591 -9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -23.184 17.349 -10.447 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -21.915 15.029 -12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.759 16.397 -12.801 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -21.086 16.010 -13.269 1.00 0.00 H new ATOM 381 N LEU A 67 -19.296 19.052 -10.424 1.00 0.00 N ATOM 382 CA LEU A 67 -18.651 19.836 -9.377 1.00 0.00 C ATOM 383 C LEU A 67 -18.601 21.313 -9.755 1.00 0.00 C ATOM 384 O LEU A 67 -18.675 22.188 -8.893 1.00 0.00 O ATOM 385 CB LEU A 67 -17.236 19.315 -9.120 1.00 0.00 C ATOM 386 CG LEU A 67 -17.105 18.224 -8.057 1.00 0.00 C ATOM 387 CD1 LEU A 67 -15.730 17.576 -8.124 1.00 0.00 C ATOM 388 CD2 LEU A 67 -17.359 18.797 -6.670 1.00 0.00 C ATOM 0 H LEU A 67 -18.705 18.329 -10.834 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.240 19.733 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.836 18.930 -10.058 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -16.608 20.157 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 67 -17.855 17.459 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.655 16.802 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.586 17.130 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.963 18.331 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.262 18.006 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.632 19.582 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.365 19.213 -6.627 1.00 0.00 H new ATOM 400 N GLY A 68 -18.476 21.583 -11.051 1.00 0.00 N ATOM 401 CA GLY A 68 -18.420 22.955 -11.520 1.00 0.00 C ATOM 402 C GLY A 68 -19.706 23.712 -11.253 1.00 0.00 C ATOM 403 O GLY A 68 -19.681 24.831 -10.741 1.00 0.00 O ATOM 0 H GLY A 68 -18.413 20.876 -11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.592 23.469 -11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -18.214 22.962 -12.590 1.00 0.00 H new ATOM 407 N VAL A 69 -20.834 23.102 -11.603 1.00 0.00 N ATOM 408 CA VAL A 69 -22.136 23.726 -11.398 1.00 0.00 C ATOM 409 C VAL A 69 -22.538 23.688 -9.928 1.00 0.00 C ATOM 410 O VAL A 69 -23.204 24.597 -9.432 1.00 0.00 O ATOM 411 CB VAL A 69 -23.227 23.034 -12.236 1.00 0.00 C ATOM 412 CG1 VAL A 69 -24.584 23.671 -11.977 1.00 0.00 C ATOM 413 CG2 VAL A 69 -22.877 23.088 -13.715 1.00 0.00 C ATOM 0 H VAL A 69 -20.872 22.176 -12.030 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.045 24.764 -11.719 1.00 0.00 H new ATOM 0 HB VAL A 69 -23.281 21.987 -11.937 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -25.342 23.169 -12.578 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -24.836 23.575 -10.921 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -24.548 24.727 -12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -23.659 22.594 -14.292 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -22.794 24.128 -14.032 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.927 22.581 -13.883 1.00 0.00 H new ATOM 423 N VAL A 70 -22.130 22.630 -9.235 1.00 0.00 N ATOM 424 CA VAL A 70 -22.446 22.474 -7.821 1.00 0.00 C ATOM 425 C VAL A 70 -21.668 23.471 -6.970 1.00 0.00 C ATOM 426 O VAL A 70 -22.247 24.207 -6.171 1.00 0.00 O ATOM 427 CB VAL A 70 -22.137 21.046 -7.331 1.00 0.00 C ATOM 428 CG1 VAL A 70 -22.284 20.957 -5.819 1.00 0.00 C ATOM 429 CG2 VAL A 70 -23.041 20.038 -8.023 1.00 0.00 C ATOM 0 H VAL A 70 -21.580 21.868 -9.630 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.514 22.665 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 70 -21.104 20.808 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -22.062 19.942 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -21.591 21.651 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -23.305 21.214 -5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.809 19.035 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.082 20.271 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.881 20.085 -9.100 1.00 0.00 H new ATOM 439 N PHE A 71 -20.351 23.491 -7.147 1.00 0.00 N ATOM 440 CA PHE A 71 -19.492 24.398 -6.395 1.00 0.00 C ATOM 441 C PHE A 71 -19.848 25.853 -6.689 1.00 0.00 C ATOM 442 O PHE A 71 -19.966 26.670 -5.777 1.00 0.00 O ATOM 443 CB PHE A 71 -18.022 24.143 -6.736 1.00 0.00 C ATOM 444 CG PHE A 71 -17.075 24.537 -5.639 1.00 0.00 C ATOM 445 CD1 PHE A 71 -16.904 23.727 -4.529 1.00 0.00 C ATOM 446 CD2 PHE A 71 -16.357 25.720 -5.718 1.00 0.00 C ATOM 447 CE1 PHE A 71 -16.033 24.087 -3.518 1.00 0.00 C ATOM 448 CE2 PHE A 71 -15.484 26.085 -4.711 1.00 0.00 C ATOM 449 CZ PHE A 71 -15.323 25.268 -3.609 1.00 0.00 C ATOM 0 H PHE A 71 -19.855 22.889 -7.805 1.00 0.00 H new ATOM 0 HA PHE A 71 -19.650 24.210 -5.333 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -17.887 23.084 -6.959 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -17.766 24.694 -7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -17.458 22.803 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -16.481 26.364 -6.576 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -15.908 23.446 -2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -14.928 27.008 -4.786 1.00 0.00 H new ATOM 0 HZ PHE A 71 -14.643 25.552 -2.820 1.00 0.00 H new ATOM 459 N GLY A 72 -20.019 26.167 -7.969 1.00 0.00 N ATOM 460 CA GLY A 72 -20.360 27.522 -8.361 1.00 0.00 C ATOM 461 C GLY A 72 -21.636 28.012 -7.707 1.00 0.00 C ATOM 462 O GLY A 72 -21.674 29.109 -7.148 1.00 0.00 O ATOM 0 H GLY A 72 -19.928 25.507 -8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -19.540 28.190 -8.097 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -20.471 27.566 -9.444 1.00 0.00 H new ATOM 466 N ILE A 73 -22.684 27.198 -7.777 1.00 0.00 N ATOM 467 CA ILE A 73 -23.969 27.555 -7.187 1.00 0.00 C ATOM 468 C ILE A 73 -23.908 27.501 -5.664 1.00 0.00 C ATOM 469 O ILE A 73 -24.676 28.175 -4.976 1.00 0.00 O ATOM 470 CB ILE A 73 -25.092 26.624 -7.678 1.00 0.00 C ATOM 471 CG1 ILE A 73 -25.203 26.684 -9.203 1.00 0.00 C ATOM 472 CG2 ILE A 73 -26.416 27.003 -7.030 1.00 0.00 C ATOM 473 CD1 ILE A 73 -25.998 25.541 -9.796 1.00 0.00 C ATOM 0 H ILE A 73 -22.669 26.287 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 73 -24.190 28.574 -7.504 1.00 0.00 H new ATOM 0 HB ILE A 73 -24.848 25.601 -7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -25.669 27.627 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -24.201 26.681 -9.633 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -27.200 26.336 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -26.330 26.914 -5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -26.668 28.031 -7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -26.036 25.648 -10.880 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -25.521 24.595 -9.541 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -27.011 25.556 -9.395 1.00 0.00 H new ATOM 967 N ALA B 153 -9.460 8.382 -13.414 1.00 0.00 N ATOM 968 CA ALA B 153 -10.429 9.465 -13.301 1.00 0.00 C ATOM 969 C ALA B 153 -9.944 10.538 -12.332 1.00 0.00 C ATOM 970 O ALA B 153 -9.924 11.724 -12.662 1.00 0.00 O ATOM 971 CB ALA B 153 -11.779 8.921 -12.857 1.00 0.00 C ATOM 0 HA ALA B 153 -10.540 9.924 -14.283 1.00 0.00 H new ATOM 0 HB1 ALA B 153 -12.493 9.741 -12.777 1.00 0.00 H new ATOM 0 HB2 ALA B 153 -12.138 8.197 -13.589 1.00 0.00 H new ATOM 0 HB3 ALA B 153 -11.674 8.435 -11.887 1.00 0.00 H new ATOM 977 N LEU B 154 -9.554 10.114 -11.135 1.00 0.00 N ATOM 978 CA LEU B 154 -9.068 11.038 -10.117 1.00 0.00 C ATOM 979 C LEU B 154 -7.827 11.780 -10.602 1.00 0.00 C ATOM 980 O LEU B 154 -7.771 13.010 -10.563 1.00 0.00 O ATOM 981 CB LEU B 154 -8.753 10.284 -8.824 1.00 0.00 C ATOM 982 CG LEU B 154 -8.886 11.087 -7.529 1.00 0.00 C ATOM 983 CD1 LEU B 154 -9.799 10.370 -6.547 1.00 0.00 C ATOM 984 CD2 LEU B 154 -7.517 11.328 -6.909 1.00 0.00 C ATOM 0 H LEU B 154 -9.565 9.136 -10.846 1.00 0.00 H new ATOM 0 HA LEU B 154 -9.852 11.769 -9.922 1.00 0.00 H new ATOM 0 HB2 LEU B 154 -9.414 9.419 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU B 154 -7.734 9.903 -8.888 1.00 0.00 H new ATOM 0 HG LEU B 154 -9.331 12.053 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU B 154 -9.881 10.956 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU B 154 -10.787 10.249 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU B 154 -9.384 9.390 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU B 154 -7.630 11.901 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU B 154 -7.045 10.371 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU B 154 -6.894 11.885 -7.609 1.00 0.00 H new ATOM 996 N LEU B 155 -6.835 11.026 -11.060 1.00 0.00 N ATOM 997 CA LEU B 155 -5.594 11.612 -11.555 1.00 0.00 C ATOM 998 C LEU B 155 -5.874 12.634 -12.652 1.00 0.00 C ATOM 999 O LEU B 155 -5.454 13.788 -12.562 1.00 0.00 O ATOM 1000 CB LEU B 155 -4.667 10.517 -12.087 1.00 0.00 C ATOM 1001 CG LEU B 155 -3.173 10.842 -12.083 1.00 0.00 C ATOM 1002 CD1 LEU B 155 -2.548 10.463 -10.749 1.00 0.00 C ATOM 1003 CD2 LEU B 155 -2.468 10.128 -13.226 1.00 0.00 C ATOM 0 H LEU B 155 -6.865 10.007 -11.099 1.00 0.00 H new ATOM 0 HA LEU B 155 -5.105 12.122 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU B 155 -4.824 9.616 -11.494 1.00 0.00 H new ATOM 0 HB3 LEU B 155 -4.965 10.282 -13.109 1.00 0.00 H new ATOM 0 HG LEU B 155 -3.054 11.916 -12.225 1.00 0.00 H new ATOM 0 HD11 LEU B 155 -1.485 10.701 -10.765 1.00 0.00 H new ATOM 0 HD12 LEU B 155 -3.033 11.021 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU B 155 -2.678 9.395 -10.577 1.00 0.00 H new ATOM 0 HD21 LEU B 155 -1.406 10.371 -13.207 1.00 0.00 H new ATOM 0 HD22 LEU B 155 -2.596 9.051 -13.116 1.00 0.00 H new ATOM 0 HD23 LEU B 155 -2.897 10.449 -14.175 1.00 0.00 H new ATOM 1015 N LEU B 156 -6.589 12.204 -13.686 1.00 0.00 N ATOM 1016 CA LEU B 156 -6.928 13.082 -14.800 1.00 0.00 C ATOM 1017 C LEU B 156 -7.618 14.349 -14.304 1.00 0.00 C ATOM 1018 O LEU B 156 -7.290 15.456 -14.733 1.00 0.00 O ATOM 1019 CB LEU B 156 -7.833 12.352 -15.794 1.00 0.00 C ATOM 1020 CG LEU B 156 -7.125 11.466 -16.820 1.00 0.00 C ATOM 1021 CD1 LEU B 156 -8.130 10.596 -17.558 1.00 0.00 C ATOM 1022 CD2 LEU B 156 -6.331 12.316 -17.801 1.00 0.00 C ATOM 0 H LEU B 156 -6.945 11.252 -13.776 1.00 0.00 H new ATOM 0 HA LEU B 156 -6.002 13.366 -15.301 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -8.533 11.734 -15.232 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -8.423 13.095 -16.331 1.00 0.00 H new ATOM 0 HG LEU B 156 -6.431 10.814 -16.290 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -7.608 9.973 -18.284 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -8.654 9.960 -16.844 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -8.849 11.230 -18.076 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.834 11.669 -18.524 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -7.006 12.993 -18.324 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -5.584 12.895 -17.259 1.00 0.00 H new ATOM 1034 N LEU B 157 -8.572 14.180 -13.395 1.00 0.00 N ATOM 1035 CA LEU B 157 -9.307 15.310 -12.838 1.00 0.00 C ATOM 1036 C LEU B 157 -8.353 16.340 -12.241 1.00 0.00 C ATOM 1037 O LEU B 157 -8.480 17.539 -12.492 1.00 0.00 O ATOM 1038 CB LEU B 157 -10.289 14.828 -11.768 1.00 0.00 C ATOM 1039 CG LEU B 157 -11.457 15.764 -11.459 1.00 0.00 C ATOM 1040 CD1 LEU B 157 -12.631 14.983 -10.889 1.00 0.00 C ATOM 1041 CD2 LEU B 157 -11.024 16.858 -10.493 1.00 0.00 C ATOM 0 H LEU B 157 -8.855 13.271 -13.028 1.00 0.00 H new ATOM 0 HA LEU B 157 -9.864 15.783 -13.647 1.00 0.00 H new ATOM 0 HB2 LEU B 157 -10.694 13.866 -12.082 1.00 0.00 H new ATOM 0 HB3 LEU B 157 -9.734 14.655 -10.846 1.00 0.00 H new ATOM 0 HG LEU B 157 -11.776 16.234 -12.390 1.00 0.00 H new ATOM 0 HD11 LEU B 157 -13.453 15.666 -10.675 1.00 0.00 H new ATOM 0 HD12 LEU B 157 -12.958 14.237 -11.614 1.00 0.00 H new ATOM 0 HD13 LEU B 157 -12.324 14.485 -9.969 1.00 0.00 H new ATOM 0 HD21 LEU B 157 -11.869 17.515 -10.285 1.00 0.00 H new ATOM 0 HD22 LEU B 157 -10.678 16.406 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU B 157 -10.215 17.437 -10.938 1.00 0.00 H new ATOM 1053 N LEU B 158 -7.395 15.864 -11.453 1.00 0.00 N ATOM 1054 CA LEU B 158 -6.416 16.742 -10.822 1.00 0.00 C ATOM 1055 C LEU B 158 -5.491 17.363 -11.864 1.00 0.00 C ATOM 1056 O LEU B 158 -5.136 18.538 -11.772 1.00 0.00 O ATOM 1057 CB LEU B 158 -5.595 15.966 -9.791 1.00 0.00 C ATOM 1058 CG LEU B 158 -5.056 16.778 -8.613 1.00 0.00 C ATOM 1059 CD1 LEU B 158 -5.337 16.064 -7.300 1.00 0.00 C ATOM 1060 CD2 LEU B 158 -3.564 17.030 -8.776 1.00 0.00 C ATOM 0 H LEU B 158 -7.275 14.875 -11.236 1.00 0.00 H new ATOM 0 HA LEU B 158 -6.955 17.544 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU B 158 -6.213 15.159 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU B 158 -4.752 15.502 -10.303 1.00 0.00 H new ATOM 0 HG LEU B 158 -5.567 17.741 -8.597 1.00 0.00 H new ATOM 0 HD11 LEU B 158 -4.946 16.657 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU B 158 -6.413 15.936 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU B 158 -4.854 15.087 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU B 158 -3.198 17.609 -7.928 1.00 0.00 H new ATOM 0 HD22 LEU B 158 -3.037 16.077 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU B 158 -3.387 17.584 -9.698 1.00 0.00 H new ATOM 1072 N VAL B 159 -5.104 16.566 -12.855 1.00 0.00 N ATOM 1073 CA VAL B 159 -4.223 17.038 -13.916 1.00 0.00 C ATOM 1074 C VAL B 159 -4.886 18.144 -14.730 1.00 0.00 C ATOM 1075 O VAL B 159 -4.285 19.188 -14.985 1.00 0.00 O ATOM 1076 CB VAL B 159 -3.819 15.891 -14.862 1.00 0.00 C ATOM 1077 CG1 VAL B 159 -2.888 16.400 -15.951 1.00 0.00 C ATOM 1078 CG2 VAL B 159 -3.169 14.760 -14.079 1.00 0.00 C ATOM 0 H VAL B 159 -5.387 15.590 -12.945 1.00 0.00 H new ATOM 0 HA VAL B 159 -3.329 17.433 -13.433 1.00 0.00 H new ATOM 0 HB VAL B 159 -4.719 15.502 -15.339 1.00 0.00 H new ATOM 0 HG11 VAL B 159 -2.613 15.576 -16.609 1.00 0.00 H new ATOM 0 HG12 VAL B 159 -3.393 17.174 -16.529 1.00 0.00 H new ATOM 0 HG13 VAL B 159 -1.989 16.816 -15.496 1.00 0.00 H new ATOM 0 HG21 VAL B 159 -2.890 13.958 -14.762 1.00 0.00 H new ATOM 0 HG22 VAL B 159 -2.278 15.133 -13.573 1.00 0.00 H new ATOM 0 HG23 VAL B 159 -3.873 14.378 -13.340 1.00 0.00 H new ATOM 1088 N VAL B 160 -6.130 17.907 -15.136 1.00 0.00 N ATOM 1089 CA VAL B 160 -6.876 18.884 -15.921 1.00 0.00 C ATOM 1090 C VAL B 160 -7.134 20.153 -15.117 1.00 0.00 C ATOM 1091 O VAL B 160 -6.917 21.263 -15.603 1.00 0.00 O ATOM 1092 CB VAL B 160 -8.223 18.309 -16.398 1.00 0.00 C ATOM 1093 CG1 VAL B 160 -8.923 19.289 -17.326 1.00 0.00 C ATOM 1094 CG2 VAL B 160 -8.015 16.967 -17.085 1.00 0.00 C ATOM 0 H VAL B 160 -6.642 17.048 -14.934 1.00 0.00 H new ATOM 0 HA VAL B 160 -6.264 19.126 -16.790 1.00 0.00 H new ATOM 0 HB VAL B 160 -8.860 18.152 -15.528 1.00 0.00 H new ATOM 0 HG11 VAL B 160 -9.873 18.866 -17.653 1.00 0.00 H new ATOM 0 HG12 VAL B 160 -9.106 20.224 -16.797 1.00 0.00 H new ATOM 0 HG13 VAL B 160 -8.293 19.481 -18.195 1.00 0.00 H new ATOM 0 HG21 VAL B 160 -8.977 16.575 -17.416 1.00 0.00 H new ATOM 0 HG22 VAL B 160 -7.360 17.097 -17.947 1.00 0.00 H new ATOM 0 HG23 VAL B 160 -7.559 16.267 -16.385 1.00 0.00 H new ATOM 1104 N ALA B 161 -7.599 19.981 -13.884 1.00 0.00 N ATOM 1105 CA ALA B 161 -7.885 21.113 -13.011 1.00 0.00 C ATOM 1106 C ALA B 161 -6.658 22.003 -12.847 1.00 0.00 C ATOM 1107 O ALA B 161 -6.774 23.226 -12.752 1.00 0.00 O ATOM 1108 CB ALA B 161 -8.370 20.624 -11.654 1.00 0.00 C ATOM 0 H ALA B 161 -7.786 19.069 -13.467 1.00 0.00 H new ATOM 0 HA ALA B 161 -8.673 21.707 -13.474 1.00 0.00 H new ATOM 0 HB1 ALA B 161 -8.580 21.480 -11.012 1.00 0.00 H new ATOM 0 HB2 ALA B 161 -9.279 20.036 -11.783 1.00 0.00 H new ATOM 0 HB3 ALA B 161 -7.600 20.006 -11.193 1.00 0.00 H new ATOM 1114 N LEU B 162 -5.483 21.384 -12.813 1.00 0.00 N ATOM 1115 CA LEU B 162 -4.234 22.121 -12.660 1.00 0.00 C ATOM 1116 C LEU B 162 -3.877 22.862 -13.944 1.00 0.00 C ATOM 1117 O LEU B 162 -3.387 23.989 -13.907 1.00 0.00 O ATOM 1118 CB LEU B 162 -3.101 21.167 -12.276 1.00 0.00 C ATOM 1119 CG LEU B 162 -1.981 21.765 -11.423 1.00 0.00 C ATOM 1120 CD1 LEU B 162 -2.202 21.446 -9.952 1.00 0.00 C ATOM 1121 CD2 LEU B 162 -0.626 21.249 -11.884 1.00 0.00 C ATOM 0 H LEU B 162 -5.369 20.373 -12.889 1.00 0.00 H new ATOM 0 HA LEU B 162 -4.369 22.855 -11.865 1.00 0.00 H new ATOM 0 HB2 LEU B 162 -3.531 20.323 -11.736 1.00 0.00 H new ATOM 0 HB3 LEU B 162 -2.661 20.770 -13.191 1.00 0.00 H new ATOM 0 HG LEU B 162 -1.996 22.848 -11.545 1.00 0.00 H new ATOM 0 HD11 LEU B 162 -1.395 21.879 -9.361 1.00 0.00 H new ATOM 0 HD12 LEU B 162 -3.155 21.865 -9.628 1.00 0.00 H new ATOM 0 HD13 LEU B 162 -2.214 20.365 -9.812 1.00 0.00 H new ATOM 0 HD21 LEU B 162 0.159 21.685 -11.266 1.00 0.00 H new ATOM 0 HD22 LEU B 162 -0.600 20.163 -11.792 1.00 0.00 H new ATOM 0 HD23 LEU B 162 -0.465 21.529 -12.925 1.00 0.00 H new ATOM 1133 N GLY B 163 -4.129 22.220 -15.081 1.00 0.00 N ATOM 1134 CA GLY B 163 -3.830 22.834 -16.362 1.00 0.00 C ATOM 1135 C GLY B 163 -4.790 23.955 -16.705 1.00 0.00 C ATOM 1136 O GLY B 163 -4.381 24.994 -17.224 1.00 0.00 O ATOM 0 H GLY B 163 -4.535 21.286 -15.138 1.00 0.00 H new ATOM 0 HA2 GLY B 163 -2.812 23.224 -16.346 1.00 0.00 H new ATOM 0 HA3 GLY B 163 -3.869 22.075 -17.143 1.00 0.00 H new ATOM 1140 N ILE B 164 -6.070 23.745 -16.417 1.00 0.00 N ATOM 1141 CA ILE B 164 -7.091 24.746 -16.700 1.00 0.00 C ATOM 1142 C ILE B 164 -7.006 25.910 -15.718 1.00 0.00 C ATOM 1143 O ILE B 164 -7.196 27.066 -16.091 1.00 0.00 O ATOM 1144 CB ILE B 164 -8.506 24.140 -16.640 1.00 0.00 C ATOM 1145 CG1 ILE B 164 -8.643 23.009 -17.660 1.00 0.00 C ATOM 1146 CG2 ILE B 164 -9.553 25.215 -16.888 1.00 0.00 C ATOM 1147 CD1 ILE B 164 -10.024 22.391 -17.695 1.00 0.00 C ATOM 0 H ILE B 164 -6.425 22.890 -15.988 1.00 0.00 H new ATOM 0 HA ILE B 164 -6.904 25.111 -17.710 1.00 0.00 H new ATOM 0 HB ILE B 164 -8.667 23.727 -15.644 1.00 0.00 H new ATOM 0 HG12 ILE B 164 -8.400 23.393 -18.651 1.00 0.00 H new ATOM 0 HG13 ILE B 164 -7.912 22.233 -17.431 1.00 0.00 H new ATOM 0 HG21 ILE B 164 -10.548 24.772 -16.842 1.00 0.00 H new ATOM 0 HG22 ILE B 164 -9.466 25.990 -16.127 1.00 0.00 H new ATOM 0 HG23 ILE B 164 -9.397 25.655 -17.873 1.00 0.00 H new ATOM 0 HD11 ILE B 164 -10.048 21.596 -18.441 1.00 0.00 H new ATOM 0 HD12 ILE B 164 -10.262 21.977 -16.715 1.00 0.00 H new ATOM 0 HD13 ILE B 164 -10.758 23.154 -17.954 1.00 0.00 H new ATOM 1159 N GLY B 165 -6.718 25.595 -14.458 1.00 0.00 N ATOM 1160 CA GLY B 165 -6.611 26.625 -13.442 1.00 0.00 C ATOM 1161 C GLY B 165 -5.398 27.512 -13.641 1.00 0.00 C ATOM 1162 O GLY B 165 -5.466 28.725 -13.434 1.00 0.00 O ATOM 0 H GLY B 165 -6.557 24.645 -14.124 1.00 0.00 H new ATOM 0 HA2 GLY B 165 -7.512 27.239 -13.455 1.00 0.00 H new ATOM 0 HA3 GLY B 165 -6.558 26.157 -12.459 1.00 0.00 H new ATOM 1166 N LEU B 166 -4.285 26.909 -14.042 1.00 0.00 N ATOM 1167 CA LEU B 166 -3.051 27.652 -14.269 1.00 0.00 C ATOM 1168 C LEU B 166 -3.154 28.510 -15.526 1.00 0.00 C ATOM 1169 O LEU B 166 -2.692 29.651 -15.552 1.00 0.00 O ATOM 1170 CB LEU B 166 -1.867 26.690 -14.390 1.00 0.00 C ATOM 1171 CG LEU B 166 -1.144 26.349 -13.086 1.00 0.00 C ATOM 1172 CD1 LEU B 166 -0.186 25.186 -13.296 1.00 0.00 C ATOM 1173 CD2 LEU B 166 -0.401 27.565 -12.554 1.00 0.00 C ATOM 0 H LEU B 166 -4.212 25.907 -14.217 1.00 0.00 H new ATOM 0 HA LEU B 166 -2.891 28.310 -13.415 1.00 0.00 H new ATOM 0 HB2 LEU B 166 -2.223 25.762 -14.838 1.00 0.00 H new ATOM 0 HB3 LEU B 166 -1.143 27.121 -15.081 1.00 0.00 H new ATOM 0 HG LEU B 166 -1.888 26.052 -12.347 1.00 0.00 H new ATOM 0 HD11 LEU B 166 0.320 24.957 -12.358 1.00 0.00 H new ATOM 0 HD12 LEU B 166 -0.744 24.311 -13.631 1.00 0.00 H new ATOM 0 HD13 LEU B 166 0.553 25.455 -14.050 1.00 0.00 H new ATOM 0 HD21 LEU B 166 0.107 27.304 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU B 166 0.333 27.893 -13.290 1.00 0.00 H new ATOM 0 HD23 LEU B 166 -1.110 28.371 -12.365 1.00 0.00 H new ATOM 1185 N PHE B 167 -3.765 27.953 -16.567 1.00 0.00 N ATOM 1186 CA PHE B 167 -3.931 28.667 -17.827 1.00 0.00 C ATOM 1187 C PHE B 167 -4.906 29.831 -17.670 1.00 0.00 C ATOM 1188 O PHE B 167 -4.716 30.897 -18.255 1.00 0.00 O ATOM 1189 CB PHE B 167 -4.428 27.714 -18.916 1.00 0.00 C ATOM 1190 CG PHE B 167 -3.973 28.092 -20.297 1.00 0.00 C ATOM 1191 CD1 PHE B 167 -2.686 27.802 -20.721 1.00 0.00 C ATOM 1192 CD2 PHE B 167 -4.832 28.739 -21.171 1.00 0.00 C ATOM 1193 CE1 PHE B 167 -2.264 28.148 -21.991 1.00 0.00 C ATOM 1194 CE2 PHE B 167 -4.416 29.087 -22.442 1.00 0.00 C ATOM 1195 CZ PHE B 167 -3.131 28.792 -22.852 1.00 0.00 C ATOM 0 H PHE B 167 -4.153 27.010 -16.562 1.00 0.00 H new ATOM 0 HA PHE B 167 -2.960 29.067 -18.119 1.00 0.00 H new ATOM 0 HB2 PHE B 167 -4.081 26.706 -18.691 1.00 0.00 H new ATOM 0 HB3 PHE B 167 -5.517 27.688 -18.895 1.00 0.00 H new ATOM 0 HD1 PHE B 167 -2.004 27.299 -20.051 1.00 0.00 H new ATOM 0 HD2 PHE B 167 -5.838 28.974 -20.855 1.00 0.00 H new ATOM 0 HE1 PHE B 167 -1.259 27.915 -22.309 1.00 0.00 H new ATOM 0 HE2 PHE B 167 -5.096 29.589 -23.114 1.00 0.00 H new ATOM 0 HZ PHE B 167 -2.804 29.064 -23.845 1.00 0.00 H new ATOM 1205 N MET B 168 -5.949 29.616 -16.875 1.00 0.00 N ATOM 1206 CA MET B 168 -6.954 30.647 -16.640 1.00 0.00 C ATOM 1207 C MET B 168 -6.424 31.716 -15.690 1.00 0.00 C ATOM 1208 O MET B 168 -6.854 32.869 -15.736 1.00 0.00 O ATOM 1209 CB MET B 168 -8.229 30.024 -16.066 1.00 0.00 C ATOM 1210 CG MET B 168 -9.234 29.609 -17.128 1.00 0.00 C ATOM 1211 SD MET B 168 -10.783 30.525 -17.014 1.00 0.00 S ATOM 1212 CE MET B 168 -11.506 30.167 -18.614 1.00 0.00 C ATOM 0 H MET B 168 -6.120 28.739 -16.383 1.00 0.00 H new ATOM 0 HA MET B 168 -7.186 31.118 -17.595 1.00 0.00 H new ATOM 0 HB2 MET B 168 -7.961 29.151 -15.470 1.00 0.00 H new ATOM 0 HB3 MET B 168 -8.700 30.738 -15.391 1.00 0.00 H new ATOM 0 HG2 MET B 168 -8.798 29.762 -18.115 1.00 0.00 H new ATOM 0 HG3 MET B 168 -9.439 28.543 -17.032 1.00 0.00 H new ATOM 0 HE1 MET B 168 -12.472 30.665 -18.696 1.00 0.00 H new ATOM 0 HE2 MET B 168 -10.844 30.527 -19.401 1.00 0.00 H new ATOM 0 HE3 MET B 168 -11.643 29.091 -18.719 1.00 0.00 H new ATOM 1222 N ARG B 169 -5.489 31.326 -14.830 1.00 0.00 N ATOM 1223 CA ARG B 169 -4.902 32.252 -13.868 1.00 0.00 C ATOM 1224 C ARG B 169 -4.322 33.473 -14.574 1.00 0.00 C ATOM 1225 O ARG B 169 -4.391 34.590 -14.061 1.00 0.00 O ATOM 1226 CB ARG B 169 -3.811 31.552 -13.056 1.00 0.00 C ATOM 1227 CG ARG B 169 -4.001 31.670 -11.552 1.00 0.00 C ATOM 1228 CD ARG B 169 -3.907 33.116 -11.091 1.00 0.00 C ATOM 1229 NE ARG B 169 -3.636 33.216 -9.659 1.00 0.00 N ATOM 1230 CZ ARG B 169 -4.530 32.930 -8.720 1.00 0.00 C ATOM 1231 NH1 ARG B 169 -5.747 32.527 -9.059 1.00 0.00 N ATOM 1232 NH2 ARG B 169 -4.209 33.046 -7.438 1.00 0.00 N ATOM 0 H ARG B 169 -5.122 30.376 -14.779 1.00 0.00 H new ATOM 0 HA ARG B 169 -5.690 32.585 -13.193 1.00 0.00 H new ATOM 0 HB2 ARG B 169 -3.787 30.497 -13.329 1.00 0.00 H new ATOM 0 HB3 ARG B 169 -2.842 31.973 -13.326 1.00 0.00 H new ATOM 0 HG2 ARG B 169 -4.972 31.260 -11.273 1.00 0.00 H new ATOM 0 HG3 ARG B 169 -3.245 31.074 -11.041 1.00 0.00 H new ATOM 0 HD2 ARG B 169 -3.118 33.623 -11.646 1.00 0.00 H new ATOM 0 HD3 ARG B 169 -4.840 33.631 -11.321 1.00 0.00 H new ATOM 0 HE ARG B 169 -2.709 33.522 -9.364 1.00 0.00 H new ATOM 0 HH11 ARG B 169 -5.998 32.436 -10.043 1.00 0.00 H new ATOM 0 HH12 ARG B 169 -6.432 32.308 -8.335 1.00 0.00 H new ATOM 0 HH21 ARG B 169 -3.274 33.355 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG B 169 -4.897 32.826 -6.718 1.00 0.00 H new