USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 302 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 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -37:sc= -3.05! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N ILE A 73 12.153 -1.317 -18.266 1.00 0.00 N ATOM 197 CA ILE A 73 11.735 0.079 -18.286 1.00 0.00 C ATOM 198 C ILE A 73 11.421 0.539 -19.706 1.00 0.00 C ATOM 199 O ILE A 73 10.311 0.988 -19.994 1.00 0.00 O ATOM 200 CB ILE A 73 12.816 0.999 -17.688 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.212 0.515 -16.291 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.319 2.436 -17.636 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.218 1.412 -15.604 1.00 0.00 C ATOM 0 HA ILE A 73 10.834 0.147 -17.677 1.00 0.00 H new ATOM 0 HB ILE A 73 13.698 0.963 -18.328 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.317 0.445 -15.672 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.626 -0.490 -16.367 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.094 3.074 -17.211 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.082 2.776 -18.644 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.425 2.489 -17.015 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.453 1.008 -14.619 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.128 1.463 -16.202 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.799 2.412 -15.496 1.00 0.00 H new ATOM 215 N THR A 74 12.406 0.421 -20.591 1.00 0.00 N ATOM 216 CA THR A 74 12.235 0.824 -21.982 1.00 0.00 C ATOM 217 C THR A 74 10.967 0.223 -22.576 1.00 0.00 C ATOM 218 O THR A 74 10.210 0.905 -23.269 1.00 0.00 O ATOM 219 CB THR A 74 13.442 0.402 -22.841 1.00 0.00 C ATOM 220 OG1 THR A 74 14.647 0.952 -22.298 1.00 0.00 O ATOM 221 CG2 THR A 74 13.270 0.865 -24.280 1.00 0.00 C ATOM 0 H THR A 74 13.330 0.050 -20.370 1.00 0.00 H new ATOM 0 HA THR A 74 12.156 1.911 -21.989 1.00 0.00 H new ATOM 0 HB THR A 74 13.504 -0.686 -22.831 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.409 0.677 -22.849 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.134 0.556 -24.868 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.368 0.420 -24.700 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.184 1.951 -24.305 1.00 0.00 H new ATOM 229 N LEU A 75 10.739 -1.056 -22.302 1.00 0.00 N ATOM 230 CA LEU A 75 9.560 -1.750 -22.810 1.00 0.00 C ATOM 231 C LEU A 75 8.282 -1.029 -22.392 1.00 0.00 C ATOM 232 O LEU A 75 7.418 -0.747 -23.222 1.00 0.00 O ATOM 233 CB LEU A 75 9.535 -3.193 -22.302 1.00 0.00 C ATOM 234 CG LEU A 75 10.488 -4.165 -22.997 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.362 -5.557 -22.397 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.215 -4.202 -24.494 1.00 0.00 C ATOM 0 H LEU A 75 11.355 -1.635 -21.731 1.00 0.00 H new ATOM 0 HA LEU A 75 9.613 -1.756 -23.899 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.768 -3.186 -21.237 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.519 -3.576 -22.404 1.00 0.00 H new ATOM 0 HG LEU A 75 11.509 -3.815 -22.842 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.048 -6.235 -22.904 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.608 -5.519 -21.336 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.340 -5.915 -22.520 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.903 -4.899 -24.972 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.189 -4.527 -24.669 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.357 -3.206 -24.914 1.00 0.00 H new ATOM 248 N ILE A 76 8.172 -0.733 -21.101 1.00 0.00 N ATOM 249 CA ILE A 76 7.001 -0.042 -20.574 1.00 0.00 C ATOM 250 C ILE A 76 6.766 1.276 -21.305 1.00 0.00 C ATOM 251 O ILE A 76 5.642 1.585 -21.702 1.00 0.00 O ATOM 252 CB ILE A 76 7.144 0.238 -19.067 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.336 -1.071 -18.299 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.926 0.988 -18.550 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.212 -2.063 -18.505 1.00 0.00 C ATOM 0 H ILE A 76 8.879 -0.961 -20.401 1.00 0.00 H new ATOM 0 HA ILE A 76 6.147 -0.700 -20.733 1.00 0.00 H new ATOM 0 HB ILE A 76 8.024 0.862 -18.910 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.275 -1.529 -18.608 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.424 -0.849 -17.235 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.042 1.179 -17.483 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.830 1.936 -19.080 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.031 0.388 -18.716 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.415 -2.967 -17.931 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.273 -1.623 -18.170 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.138 -2.314 -19.563 1.00 0.00 H new ATOM 267 N ILE A 77 7.833 2.048 -21.480 1.00 0.00 N ATOM 268 CA ILE A 77 7.743 3.331 -22.165 1.00 0.00 C ATOM 269 C ILE A 77 7.310 3.150 -23.616 1.00 0.00 C ATOM 270 O ILE A 77 6.388 3.816 -24.088 1.00 0.00 O ATOM 271 CB ILE A 77 9.086 4.083 -22.132 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.595 4.198 -20.693 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.938 5.461 -22.759 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.800 5.102 -20.550 1.00 0.00 C ATOM 0 H ILE A 77 8.770 1.807 -21.157 1.00 0.00 H new ATOM 0 HA ILE A 77 6.994 3.919 -21.635 1.00 0.00 H new ATOM 0 HB ILE A 77 9.816 3.519 -22.712 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.791 4.574 -20.061 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.851 3.204 -20.326 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.896 5.980 -22.728 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.615 5.357 -23.795 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.196 6.035 -22.204 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.107 5.137 -19.505 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.619 4.715 -21.156 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.543 6.106 -20.886 1.00 0.00 H new ATOM 286 N PHE A 78 7.980 2.243 -24.319 1.00 0.00 N ATOM 287 CA PHE A 78 7.665 1.973 -25.717 1.00 0.00 C ATOM 288 C PHE A 78 6.192 1.611 -25.882 1.00 0.00 C ATOM 289 O PHE A 78 5.504 2.144 -26.751 1.00 0.00 O ATOM 290 CB PHE A 78 8.543 0.839 -26.250 1.00 0.00 C ATOM 291 CG PHE A 78 8.128 0.347 -27.607 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.594 0.965 -28.755 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.270 -0.735 -27.733 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.215 0.514 -30.005 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.888 -1.190 -28.980 1.00 0.00 C ATOM 296 CZ PHE A 78 7.359 -0.565 -30.118 1.00 0.00 C ATOM 0 H PHE A 78 8.745 1.682 -23.943 1.00 0.00 H new ATOM 0 HA PHE A 78 7.865 2.878 -26.290 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.577 1.182 -26.297 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.515 0.007 -25.546 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.262 1.810 -28.673 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.897 -1.227 -26.847 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.587 1.004 -30.892 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.221 -2.035 -29.065 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.059 -0.919 -31.093 1.00 0.00 H new ATOM 306 N GLY A 79 5.714 0.700 -25.039 1.00 0.00 N ATOM 307 CA GLY A 79 4.327 0.280 -25.108 1.00 0.00 C ATOM 308 C GLY A 79 3.363 1.445 -24.991 1.00 0.00 C ATOM 309 O GLY A 79 2.488 1.624 -25.839 1.00 0.00 O ATOM 0 H GLY A 79 6.263 0.246 -24.309 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.154 -0.238 -26.051 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.127 -0.435 -24.310 1.00 0.00 H new ATOM 313 N VAL A 80 3.521 2.239 -23.937 1.00 0.00 N ATOM 314 CA VAL A 80 2.658 3.391 -23.711 1.00 0.00 C ATOM 315 C VAL A 80 2.797 4.411 -24.836 1.00 0.00 C ATOM 316 O VAL A 80 1.827 5.065 -25.218 1.00 0.00 O ATOM 317 CB VAL A 80 2.976 4.077 -22.369 1.00 0.00 C ATOM 318 CG1 VAL A 80 2.013 5.227 -22.115 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.928 3.069 -21.232 1.00 0.00 C ATOM 0 H VAL A 80 4.240 2.105 -23.226 1.00 0.00 H new ATOM 0 HA VAL A 80 1.634 3.019 -23.686 1.00 0.00 H new ATOM 0 HB VAL A 80 3.985 4.485 -22.420 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.253 5.699 -21.162 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.103 5.960 -22.916 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.992 4.847 -22.084 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.155 3.571 -20.291 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.932 2.629 -21.178 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.662 2.284 -21.411 1.00 0.00 H new ATOM 329 N MET A 81 4.010 4.540 -25.363 1.00 0.00 N ATOM 330 CA MET A 81 4.277 5.480 -26.446 1.00 0.00 C ATOM 331 C MET A 81 3.537 5.069 -27.716 1.00 0.00 C ATOM 332 O MET A 81 2.910 5.898 -28.375 1.00 0.00 O ATOM 333 CB MET A 81 5.779 5.562 -26.721 1.00 0.00 C ATOM 334 CG MET A 81 6.536 6.413 -25.715 1.00 0.00 C ATOM 335 SD MET A 81 8.317 6.401 -25.994 1.00 0.00 S ATOM 336 CE MET A 81 8.683 8.153 -25.926 1.00 0.00 C ATOM 0 H MET A 81 4.824 4.006 -25.058 1.00 0.00 H new ATOM 0 HA MET A 81 3.918 6.462 -26.138 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.196 4.555 -26.719 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.935 5.970 -27.720 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.171 7.439 -25.766 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.328 6.050 -24.709 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.751 8.308 -26.082 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.124 8.672 -26.704 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.398 8.547 -24.950 1.00 0.00 H new ATOM 346 N ALA A 82 3.615 3.786 -28.052 1.00 0.00 N ATOM 347 CA ALA A 82 2.952 3.266 -29.241 1.00 0.00 C ATOM 348 C ALA A 82 1.435 3.345 -29.102 1.00 0.00 C ATOM 349 O ALA A 82 0.740 3.782 -30.018 1.00 0.00 O ATOM 350 CB ALA A 82 3.386 1.832 -29.504 1.00 0.00 C ATOM 0 H ALA A 82 4.131 3.087 -27.517 1.00 0.00 H new ATOM 0 HA ALA A 82 3.246 3.883 -30.090 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.883 1.457 -30.395 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.465 1.801 -29.656 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.122 1.209 -28.649 1.00 0.00 H new ATOM 356 N GLY A 83 0.928 2.916 -27.950 1.00 0.00 N ATOM 357 CA GLY A 83 -0.504 2.946 -27.713 1.00 0.00 C ATOM 358 C GLY A 83 -1.071 4.351 -27.763 1.00 0.00 C ATOM 359 O GLY A 83 -2.036 4.613 -28.480 1.00 0.00 O ATOM 0 H GLY A 83 1.483 2.548 -27.177 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.005 2.329 -28.458 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.717 2.506 -26.739 1.00 0.00 H new ATOM 363 N VAL A 84 -0.471 5.257 -26.998 1.00 0.00 N ATOM 364 CA VAL A 84 -0.922 6.643 -26.957 1.00 0.00 C ATOM 365 C VAL A 84 -0.997 7.237 -28.359 1.00 0.00 C ATOM 366 O VAL A 84 -2.053 7.699 -28.792 1.00 0.00 O ATOM 367 CB VAL A 84 0.010 7.511 -26.092 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.314 8.986 -26.273 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.094 7.109 -24.628 1.00 0.00 C ATOM 0 H VAL A 84 0.329 5.056 -26.398 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.918 6.640 -26.513 1.00 0.00 H new ATOM 0 HB VAL A 84 1.037 7.347 -26.418 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.355 9.584 -25.654 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.183 9.262 -27.319 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.346 9.171 -25.975 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.571 7.733 -24.031 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.120 7.243 -24.286 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.192 6.063 -24.517 1.00 0.00 H new ATOM 816 N ILE B 73 5.668 -9.915 -22.497 1.00 0.00 N ATOM 817 CA ILE B 73 4.436 -9.596 -23.208 1.00 0.00 C ATOM 818 C ILE B 73 3.486 -8.791 -22.328 1.00 0.00 C ATOM 819 O ILE B 73 2.995 -7.735 -22.729 1.00 0.00 O ATOM 820 CB ILE B 73 3.717 -10.871 -23.688 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.658 -11.723 -24.543 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.463 -10.509 -24.470 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.205 -10.992 -25.749 1.00 0.00 C ATOM 0 HA ILE B 73 4.718 -8.999 -24.075 1.00 0.00 H new ATOM 0 HB ILE B 73 3.422 -11.454 -22.816 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.490 -12.062 -23.926 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.126 -12.613 -24.878 1.00 0.00 H new ATOM 0 HG21 ILE B 73 1.966 -11.420 -24.803 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.788 -9.940 -23.831 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.736 -9.907 -25.337 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.864 -11.656 -26.309 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.380 -10.676 -26.388 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.766 -10.117 -25.421 1.00 0.00 H new ATOM 835 N THR B 74 3.231 -9.295 -21.125 1.00 0.00 N ATOM 836 CA THR B 74 2.341 -8.623 -20.187 1.00 0.00 C ATOM 837 C THR B 74 2.705 -7.150 -20.044 1.00 0.00 C ATOM 838 O THR B 74 1.842 -6.275 -20.135 1.00 0.00 O ATOM 839 CB THR B 74 2.382 -9.288 -18.798 1.00 0.00 C ATOM 840 OG1 THR B 74 2.123 -10.691 -18.918 1.00 0.00 O ATOM 841 CG2 THR B 74 1.360 -8.656 -17.865 1.00 0.00 C ATOM 0 H THR B 74 3.629 -10.167 -20.777 1.00 0.00 H new ATOM 0 HA THR B 74 1.333 -8.708 -20.592 1.00 0.00 H new ATOM 0 HB THR B 74 3.376 -9.138 -18.377 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.153 -11.106 -18.031 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.408 -9.142 -16.890 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.578 -7.594 -17.752 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.361 -8.779 -18.283 1.00 0.00 H new ATOM 849 N LEU B 75 3.986 -6.880 -19.820 1.00 0.00 N ATOM 850 CA LEU B 75 4.464 -5.511 -19.665 1.00 0.00 C ATOM 851 C LEU B 75 4.097 -4.665 -20.879 1.00 0.00 C ATOM 852 O LEU B 75 3.545 -3.572 -20.743 1.00 0.00 O ATOM 853 CB LEU B 75 5.980 -5.499 -19.461 1.00 0.00 C ATOM 854 CG LEU B 75 6.489 -6.146 -18.172 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.009 -6.195 -18.163 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.971 -5.392 -16.956 1.00 0.00 C ATOM 0 H LEU B 75 4.713 -7.591 -19.742 1.00 0.00 H new ATOM 0 HA LEU B 75 3.982 -5.082 -18.787 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.444 -6.007 -20.307 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.321 -4.464 -19.484 1.00 0.00 H new ATOM 0 HG LEU B 75 6.113 -7.168 -18.128 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.353 -6.659 -17.238 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.359 -6.779 -19.014 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.406 -5.182 -18.231 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.343 -5.866 -16.048 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.317 -4.359 -16.994 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.881 -5.410 -16.954 1.00 0.00 H new ATOM 868 N ILE B 76 4.404 -5.178 -22.066 1.00 0.00 N ATOM 869 CA ILE B 76 4.103 -4.471 -23.304 1.00 0.00 C ATOM 870 C ILE B 76 2.616 -4.144 -23.403 1.00 0.00 C ATOM 871 O ILE B 76 2.239 -3.031 -23.770 1.00 0.00 O ATOM 872 CB ILE B 76 4.519 -5.294 -24.538 1.00 0.00 C ATOM 873 CG1 ILE B 76 5.984 -5.718 -24.424 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.291 -4.492 -25.811 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.954 -4.557 -24.451 1.00 0.00 C ATOM 0 H ILE B 76 4.861 -6.081 -22.196 1.00 0.00 H new ATOM 0 HA ILE B 76 4.676 -3.544 -23.285 1.00 0.00 H new ATOM 0 HB ILE B 76 3.903 -6.192 -24.583 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.122 -6.274 -23.497 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.221 -6.398 -25.242 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.590 -5.087 -26.674 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.235 -4.235 -25.895 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.885 -3.579 -25.777 1.00 0.00 H new ATOM 0 HD11 ILE B 76 7.974 -4.933 -24.366 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.845 -4.013 -25.389 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.743 -3.887 -23.617 1.00 0.00 H new ATOM 887 N ILE B 77 1.778 -5.120 -23.072 1.00 0.00 N ATOM 888 CA ILE B 77 0.333 -4.934 -23.121 1.00 0.00 C ATOM 889 C ILE B 77 -0.121 -3.885 -22.112 1.00 0.00 C ATOM 890 O ILE B 77 -0.864 -2.964 -22.450 1.00 0.00 O ATOM 891 CB ILE B 77 -0.413 -6.253 -22.844 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.104 -7.278 -23.936 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.911 -6.004 -22.752 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.724 -6.942 -25.274 1.00 0.00 C ATOM 0 H ILE B 77 2.074 -6.047 -22.767 1.00 0.00 H new ATOM 0 HA ILE B 77 0.092 -4.594 -24.128 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.071 -6.653 -21.890 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.977 -7.355 -24.055 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.460 -8.257 -23.615 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.425 -6.945 -22.556 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.114 -5.304 -21.942 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.269 -5.584 -23.692 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.463 -7.712 -26.000 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.808 -6.893 -25.171 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.349 -5.978 -25.617 1.00 0.00 H new ATOM 906 N PHE B 78 0.333 -4.029 -20.871 1.00 0.00 N ATOM 907 CA PHE B 78 -0.025 -3.093 -19.812 1.00 0.00 C ATOM 908 C PHE B 78 0.324 -1.662 -20.209 1.00 0.00 C ATOM 909 O PHE B 78 -0.496 -0.754 -20.085 1.00 0.00 O ATOM 910 CB PHE B 78 0.691 -3.463 -18.511 1.00 0.00 C ATOM 911 CG PHE B 78 0.553 -2.425 -17.435 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.528 -2.446 -16.568 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.504 -1.428 -17.289 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.657 -1.491 -15.578 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.380 -0.471 -16.300 1.00 0.00 C ATOM 916 CZ PHE B 78 0.298 -0.503 -15.442 1.00 0.00 C ATOM 0 H PHE B 78 0.950 -4.785 -20.574 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.102 -3.155 -19.656 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.295 -4.410 -18.144 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.749 -3.620 -18.720 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.278 -3.217 -16.667 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.353 -1.398 -17.956 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.505 -1.517 -14.910 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.128 0.301 -16.198 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.199 0.243 -14.667 1.00 0.00 H new ATOM 926 N GLY B 79 1.550 -1.470 -20.688 1.00 0.00 N ATOM 927 CA GLY B 79 1.988 -0.148 -21.095 1.00 0.00 C ATOM 928 C GLY B 79 1.070 0.474 -22.129 1.00 0.00 C ATOM 929 O GLY B 79 0.578 1.587 -21.944 1.00 0.00 O ATOM 0 H GLY B 79 2.247 -2.206 -20.801 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.037 0.500 -20.220 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.997 -0.212 -21.501 1.00 0.00 H new ATOM 933 N VAL B 80 0.840 -0.246 -23.223 1.00 0.00 N ATOM 934 CA VAL B 80 -0.025 0.242 -24.291 1.00 0.00 C ATOM 935 C VAL B 80 -1.451 0.446 -23.793 1.00 0.00 C ATOM 936 O VAL B 80 -2.147 1.362 -24.232 1.00 0.00 O ATOM 937 CB VAL B 80 -0.044 -0.730 -25.486 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.881 -0.163 -26.622 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.373 -1.026 -25.953 1.00 0.00 C ATOM 0 H VAL B 80 1.240 -1.169 -23.393 1.00 0.00 H new ATOM 0 HA VAL B 80 0.383 1.199 -24.617 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.499 -1.666 -25.164 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.883 -0.863 -27.457 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.903 -0.006 -26.278 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.458 0.788 -26.946 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.341 -1.714 -26.798 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.857 -0.098 -26.259 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.938 -1.478 -25.138 1.00 0.00 H new ATOM 949 N MET B 81 -1.880 -0.412 -22.874 1.00 0.00 N ATOM 950 CA MET B 81 -3.224 -0.325 -22.315 1.00 0.00 C ATOM 951 C MET B 81 -3.395 0.959 -21.509 1.00 0.00 C ATOM 952 O MET B 81 -4.386 1.672 -21.662 1.00 0.00 O ATOM 953 CB MET B 81 -3.511 -1.539 -21.429 1.00 0.00 C ATOM 954 CG MET B 81 -3.840 -2.799 -22.213 1.00 0.00 C ATOM 955 SD MET B 81 -5.551 -2.838 -22.780 1.00 0.00 S ATOM 956 CE MET B 81 -6.363 -3.558 -21.355 1.00 0.00 C ATOM 0 H MET B 81 -1.317 -1.176 -22.500 1.00 0.00 H new ATOM 0 HA MET B 81 -3.934 -0.312 -23.142 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.644 -1.730 -20.797 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.344 -1.306 -20.766 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.175 -2.871 -23.073 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.649 -3.671 -21.588 1.00 0.00 H new ATOM 0 HE1 MET B 81 -7.431 -3.648 -21.552 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.946 -4.546 -21.159 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.206 -2.919 -20.486 1.00 0.00 H new ATOM 966 N ALA B 82 -2.422 1.248 -20.650 1.00 0.00 N ATOM 967 CA ALA B 82 -2.465 2.446 -19.822 1.00 0.00 C ATOM 968 C ALA B 82 -2.365 3.707 -20.675 1.00 0.00 C ATOM 969 O ALA B 82 -3.112 4.664 -20.474 1.00 0.00 O ATOM 970 CB ALA B 82 -1.347 2.415 -18.791 1.00 0.00 C ATOM 0 H ALA B 82 -1.595 0.668 -20.510 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.423 2.465 -19.303 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.391 3.316 -18.179 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.464 1.538 -18.154 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.384 2.369 -19.300 1.00 0.00 H new ATOM 976 N GLY B 83 -1.437 3.700 -21.627 1.00 0.00 N ATOM 977 CA GLY B 83 -1.257 4.849 -22.495 1.00 0.00 C ATOM 978 C GLY B 83 -2.487 5.142 -23.331 1.00 0.00 C ATOM 979 O GLY B 83 -2.980 6.270 -23.349 1.00 0.00 O ATOM 0 H GLY B 83 -0.807 2.920 -21.813 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.016 5.723 -21.890 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.407 4.673 -23.154 1.00 0.00 H new ATOM 983 N VAL B 84 -2.984 4.125 -24.028 1.00 0.00 N ATOM 984 CA VAL B 84 -4.163 4.279 -24.871 1.00 0.00 C ATOM 985 C VAL B 84 -5.326 4.875 -24.085 1.00 0.00 C ATOM 986 O VAL B 84 -5.856 5.927 -24.443 1.00 0.00 O ATOM 987 CB VAL B 84 -4.603 2.932 -25.474 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.976 3.056 -26.116 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.576 2.440 -26.482 1.00 0.00 C ATOM 0 H VAL B 84 -2.588 3.185 -24.025 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.888 4.957 -25.679 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.670 2.199 -24.670 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.269 2.094 -26.536 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.703 3.360 -25.363 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.941 3.803 -26.909 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.902 1.487 -26.898 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.474 3.171 -27.284 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.614 2.309 -25.987 1.00 0.00 H new ATOM 999 N ILE B 85 -5.718 4.195 -23.012 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.817 4.659 -22.174 1.00 0.00 C ATOM 1001 C ILE B 85 -6.567 6.077 -21.675 1.00 0.00 C ATOM 1002 O ILE B 85 -7.478 6.903 -21.637 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.032 3.730 -20.964 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.384 2.317 -21.434 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.126 4.282 -20.062 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.709 2.234 -22.160 1.00 0.00 C ATOM 0 H ILE B 85 -5.291 3.322 -22.703 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.714 4.648 -22.794 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.105 3.682 -20.392 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.595 1.955 -22.093 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.409 1.652 -20.571 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.267 3.615 -19.211 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.838 5.271 -19.704 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.057 4.356 -20.623 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.893 1.204 -22.464 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.508 2.565 -21.497 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.681 2.873 -23.042 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.324 6.354 -21.293 1.00 0.00 N ATOM 1019 CA GLY B 86 -4.975 7.675 -20.802 1.00 0.00 C ATOM 1020 C GLY B 86 -5.249 8.763 -21.821 1.00 0.00 C ATOM 1021 O GLY B 86 -5.917 9.753 -21.520 1.00 0.00 O ATOM 0 H GLY B 86 -4.552 5.687 -21.315 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.540 7.882 -19.893 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.919 7.692 -20.532 1.00 0.00 H new ATOM 1025 N THR B 87 -4.730 8.582 -23.032 1.00 0.00 N ATOM 1026 CA THR B 87 -4.919 9.558 -24.098 1.00 0.00 C ATOM 1027 C THR B 87 -6.401 9.800 -24.364 1.00 0.00 C ATOM 1028 O THR B 87 -6.831 10.942 -24.533 1.00 0.00 O ATOM 1029 CB THR B 87 -4.243 9.101 -25.404 1.00 0.00 C ATOM 1030 OG1 THR B 87 -2.992 8.467 -25.112 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.014 10.281 -26.336 1.00 0.00 C ATOM 0 H THR B 87 -4.176 7.768 -23.299 1.00 0.00 H new ATOM 0 HA THR B 87 -4.456 10.486 -23.763 1.00 0.00 H new ATOM 0 HB THR B 87 -4.903 8.390 -25.900 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.558 8.929 -24.364 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.535 9.934 -27.252 1.00 0.00 H new ATOM 0 HG22 THR B 87 -4.971 10.743 -26.579 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.372 11.013 -25.846 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.175 8.722 -24.399 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.609 8.819 -24.643 1.00 0.00 C ATOM 1041 C ILE B 88 -9.275 9.753 -23.638 1.00 0.00 C ATOM 1042 O ILE B 88 -10.008 10.668 -24.017 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.287 7.438 -24.570 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.680 6.492 -25.609 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.788 7.573 -24.782 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.842 5.029 -25.261 1.00 0.00 C ATOM 0 H ILE B 88 -6.834 7.771 -24.262 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.732 9.222 -25.648 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.116 7.017 -23.579 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.145 6.681 -26.576 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.619 6.716 -25.717 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.253 6.589 -24.728 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.208 8.216 -24.009 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -10.979 8.011 -25.762 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.389 4.417 -26.041 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.352 4.825 -24.309 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.902 4.789 -25.182 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.015 9.518 -22.357 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.588 10.340 -21.297 1.00 0.00 C ATOM 1060 C LEU B 89 -9.230 11.810 -21.493 1.00 0.00 C ATOM 1061 O LEU B 89 -10.105 12.676 -21.517 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.094 9.861 -19.930 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.732 8.578 -19.398 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.832 7.924 -18.361 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.105 8.869 -18.808 1.00 0.00 C ATOM 0 H LEU B 89 -8.411 8.765 -22.027 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.673 10.241 -21.340 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.016 9.710 -19.988 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.266 10.656 -19.205 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.856 7.885 -20.230 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.303 7.012 -17.994 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.872 7.679 -18.815 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.675 8.611 -17.530 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.544 7.944 -18.434 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.005 9.580 -17.988 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.750 9.291 -19.579 1.00 0.00 H new ATOM 1077 N LEU B 90 -7.938 12.084 -21.636 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.463 13.449 -21.833 1.00 0.00 C ATOM 1079 C LEU B 90 -8.105 14.076 -23.067 1.00 0.00 C ATOM 1080 O LEU B 90 -8.639 15.184 -23.005 1.00 0.00 O ATOM 1081 CB LEU B 90 -5.940 13.465 -21.974 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.150 12.925 -20.781 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.809 12.370 -21.236 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -4.952 14.013 -19.736 1.00 0.00 C ATOM 0 H LEU B 90 -7.201 11.379 -21.619 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.747 14.036 -20.959 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.671 12.884 -22.856 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.623 14.491 -22.160 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.721 12.114 -20.329 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.261 11.990 -20.374 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -3.973 11.560 -21.947 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.231 13.161 -21.714 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.388 13.611 -18.894 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.403 14.845 -20.177 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -5.923 14.364 -19.387 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.051 13.360 -24.184 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.630 13.845 -25.431 1.00 0.00 C ATOM 1098 C ILE B 91 -10.112 14.162 -25.261 1.00 0.00 C ATOM 1099 O ILE B 91 -10.577 15.233 -25.650 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.463 12.818 -26.566 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -6.984 12.656 -26.923 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.264 13.244 -27.788 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.685 11.392 -27.698 1.00 0.00 C ATOM 0 H ILE B 91 -7.612 12.442 -24.252 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.093 14.756 -25.695 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.843 11.855 -26.224 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.664 13.517 -27.510 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.395 12.658 -26.006 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.136 12.508 -28.582 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.319 13.314 -27.525 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -8.911 14.216 -28.134 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.618 11.343 -27.917 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -6.974 10.524 -27.105 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.247 11.396 -28.632 1.00 0.00 H new ATOM 1115 N SER B 92 -10.849 13.223 -24.676 1.00 0.00 N ATOM 1116 CA SER B 92 -12.280 13.401 -24.456 1.00 0.00 C ATOM 1117 C SER B 92 -12.554 14.681 -23.672 1.00 0.00 C ATOM 1118 O SER B 92 -13.600 15.310 -23.835 1.00 0.00 O ATOM 1119 CB SER B 92 -12.856 12.198 -23.707 1.00 0.00 C ATOM 1120 OG SER B 92 -14.081 12.528 -23.076 1.00 0.00 O ATOM 0 H SER B 92 -10.479 12.332 -24.346 1.00 0.00 H new ATOM 0 HA SER B 92 -12.765 13.480 -25.429 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.012 11.374 -24.403 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.140 11.854 -22.961 1.00 0.00 H new ATOM 0 HG SER B 92 -14.429 11.742 -22.606 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.607 15.060 -22.821 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.746 16.263 -22.009 1.00 0.00 C ATOM 1128 C TYR B 93 -11.590 17.517 -22.863 1.00 0.00 C ATOM 1129 O TYR B 93 -12.269 18.520 -22.645 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.711 16.266 -20.884 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.278 15.876 -19.538 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -11.976 14.685 -19.375 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.118 16.698 -18.429 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.497 14.325 -18.147 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.634 16.345 -17.197 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.323 15.158 -17.061 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.840 14.803 -15.836 1.00 0.00 O ATOM 0 H TYR B 93 -10.735 14.551 -22.676 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.745 16.264 -21.574 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -9.905 15.579 -21.142 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.271 17.260 -20.809 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.113 14.030 -20.223 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.581 17.629 -18.532 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.038 13.396 -18.038 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.499 16.995 -16.345 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.629 15.498 -15.178 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.689 17.453 -23.839 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.458 18.589 -24.712 1.00 0.00 C ATOM 1149 C GLY B 94 -11.670 18.924 -25.559 1.00 0.00 C ATOM 1150 O GLY B 94 -11.950 20.095 -25.817 1.00 0.00 O ATOM 0 H GLY B 94 -10.115 16.634 -24.040 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.188 19.457 -24.110 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.610 18.376 -25.364 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.390 17.895 -25.993 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.577 18.087 -26.815 1.00 0.00 C ATOM 1156 C ILE B 95 -14.674 18.809 -26.039 1.00 0.00 C ATOM 1157 O ILE B 95 -15.474 19.546 -26.615 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.128 16.744 -27.331 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.072 16.024 -28.171 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.396 16.968 -28.142 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.625 16.810 -29.384 1.00 0.00 C ATOM 0 H ILE B 95 -12.171 16.920 -25.789 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.275 18.698 -27.666 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.374 16.116 -26.475 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.205 15.812 -27.546 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.472 15.064 -28.497 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.773 16.010 -28.500 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.150 17.443 -27.515 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.174 17.611 -28.994 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -11.876 16.239 -29.932 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.482 16.999 -30.031 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.195 17.759 -29.064 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.703 18.593 -24.728 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.700 19.223 -23.872 1.00 0.00 C ATOM 1175 C ARG B 96 -15.379 20.699 -23.658 1.00 0.00 C ATOM 1176 O ARG B 96 -16.263 21.553 -23.728 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.771 18.505 -22.522 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.185 18.366 -21.980 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.047 17.504 -22.889 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.580 16.337 -22.192 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.647 16.376 -21.402 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.293 17.518 -21.211 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.071 15.271 -20.802 1.00 0.00 N ATOM 0 H ARG B 96 -14.047 17.986 -24.236 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.668 19.148 -24.368 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.331 17.513 -22.624 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.165 19.050 -21.798 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.152 17.926 -20.983 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.636 19.353 -21.878 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.871 18.101 -23.280 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.457 17.177 -23.745 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.107 15.442 -22.319 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.971 18.369 -21.671 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.112 17.545 -20.604 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -19.577 14.390 -20.947 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.891 15.302 -20.196 1.00 0.00 H new