USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=6 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 -176:sc= 0 (180deg=-0.0063) 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= -1.58! 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 12.201 -1.113 -18.182 1.00 0.00 N ATOM 197 CA ILE A 73 11.747 0.270 -18.239 1.00 0.00 C ATOM 198 C ILE A 73 11.419 0.683 -19.670 1.00 0.00 C ATOM 199 O ILE A 73 10.285 1.051 -19.978 1.00 0.00 O ATOM 200 CB ILE A 73 12.804 1.234 -17.668 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.239 0.780 -16.273 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.258 2.653 -17.623 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.275 1.682 -15.639 1.00 0.00 C ATOM 0 HA ILE A 73 10.845 0.331 -17.630 1.00 0.00 H new ATOM 0 HB ILE A 73 13.676 1.222 -18.322 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.364 0.735 -15.625 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.640 -0.231 -16.338 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.017 3.322 -17.217 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.993 2.973 -18.631 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.372 2.682 -16.989 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.536 1.299 -14.652 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.167 1.708 -16.265 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.870 2.689 -15.542 1.00 0.00 H new ATOM 215 N THR A 74 12.420 0.619 -20.542 1.00 0.00 N ATOM 216 CA THR A 74 12.239 0.985 -21.941 1.00 0.00 C ATOM 217 C THR A 74 11.008 0.308 -22.533 1.00 0.00 C ATOM 218 O THR A 74 10.249 0.922 -23.283 1.00 0.00 O ATOM 219 CB THR A 74 13.472 0.610 -22.784 1.00 0.00 C ATOM 220 OG1 THR A 74 14.649 1.200 -22.221 1.00 0.00 O ATOM 221 CG2 THR A 74 13.306 1.074 -24.223 1.00 0.00 C ATOM 0 H THR A 74 13.365 0.317 -20.304 1.00 0.00 H new ATOM 0 HA THR A 74 12.104 2.066 -21.969 1.00 0.00 H new ATOM 0 HB THR A 74 13.571 -0.475 -22.778 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.429 0.955 -22.762 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.189 0.798 -24.799 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.426 0.600 -24.659 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.183 2.157 -24.244 1.00 0.00 H new ATOM 229 N LEU A 75 10.815 -0.961 -22.189 1.00 0.00 N ATOM 230 CA LEU A 75 9.675 -1.723 -22.686 1.00 0.00 C ATOM 231 C LEU A 75 8.362 -1.038 -22.321 1.00 0.00 C ATOM 232 O LEU A 75 7.522 -0.782 -23.185 1.00 0.00 O ATOM 233 CB LEU A 75 9.697 -3.142 -22.117 1.00 0.00 C ATOM 234 CG LEU A 75 10.869 -4.022 -22.554 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.841 -5.353 -21.819 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.838 -4.242 -24.060 1.00 0.00 C ATOM 0 H LEU A 75 11.433 -1.483 -21.568 1.00 0.00 H new ATOM 0 HA LEU A 75 9.749 -1.773 -23.772 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.704 -3.076 -21.029 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.770 -3.640 -22.400 1.00 0.00 H new ATOM 0 HG LEU A 75 11.797 -3.510 -22.300 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.682 -5.965 -22.143 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.912 -5.177 -20.746 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.908 -5.872 -22.041 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.679 -4.870 -24.353 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.905 -4.732 -24.337 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.908 -3.281 -24.570 1.00 0.00 H new ATOM 248 N ILE A 76 8.192 -0.740 -21.037 1.00 0.00 N ATOM 249 CA ILE A 76 6.983 -0.082 -20.559 1.00 0.00 C ATOM 250 C ILE A 76 6.743 1.230 -21.299 1.00 0.00 C ATOM 251 O ILE A 76 5.621 1.526 -21.711 1.00 0.00 O ATOM 252 CB ILE A 76 7.056 0.200 -19.047 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.181 -1.110 -18.267 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.829 0.978 -18.594 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.056 -2.085 -18.539 1.00 0.00 C ATOM 0 H ILE A 76 8.877 -0.944 -20.309 1.00 0.00 H new ATOM 0 HA ILE A 76 6.154 -0.763 -20.753 1.00 0.00 H new ATOM 0 HB ILE A 76 7.940 0.805 -18.847 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.130 -1.584 -18.518 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.208 -0.887 -17.200 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.895 1.170 -17.523 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.781 1.926 -19.130 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.931 0.396 -18.804 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.210 -2.991 -17.953 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.105 -1.630 -18.261 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.042 -2.337 -19.599 1.00 0.00 H new ATOM 267 N ILE A 77 7.805 2.012 -21.465 1.00 0.00 N ATOM 268 CA ILE A 77 7.710 3.291 -22.157 1.00 0.00 C ATOM 269 C ILE A 77 7.292 3.100 -23.611 1.00 0.00 C ATOM 270 O ILE A 77 6.368 3.755 -24.094 1.00 0.00 O ATOM 271 CB ILE A 77 9.047 4.054 -22.115 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.411 4.411 -20.673 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.968 5.309 -22.973 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.521 5.474 -20.070 1.00 0.00 C ATOM 0 H ILE A 77 8.740 1.782 -21.130 1.00 0.00 H new ATOM 0 HA ILE A 77 6.951 3.875 -21.637 1.00 0.00 H new ATOM 0 HB ILE A 77 9.828 3.410 -22.518 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.355 3.512 -20.060 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.445 4.754 -20.642 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.920 5.838 -22.933 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.750 5.032 -24.004 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.177 5.958 -22.597 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.838 5.676 -19.047 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.595 6.388 -20.660 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.488 5.126 -20.068 1.00 0.00 H new ATOM 286 N PHE A 78 7.977 2.196 -24.304 1.00 0.00 N ATOM 287 CA PHE A 78 7.677 1.916 -25.703 1.00 0.00 C ATOM 288 C PHE A 78 6.207 1.548 -25.881 1.00 0.00 C ATOM 289 O PHE A 78 5.528 2.065 -26.767 1.00 0.00 O ATOM 290 CB PHE A 78 8.564 0.782 -26.221 1.00 0.00 C ATOM 291 CG PHE A 78 8.183 0.300 -27.591 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.675 0.930 -28.723 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.333 -0.782 -27.747 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.325 0.489 -29.985 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.979 -1.228 -29.007 1.00 0.00 C ATOM 296 CZ PHE A 78 7.477 -0.592 -30.127 1.00 0.00 C ATOM 0 H PHE A 78 8.744 1.645 -23.919 1.00 0.00 H new ATOM 0 HA PHE A 78 7.880 2.819 -26.279 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.600 1.121 -26.239 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.515 -0.054 -25.524 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.339 1.775 -28.618 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.942 -1.283 -26.874 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.714 0.989 -30.860 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.314 -2.072 -29.115 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.204 -0.939 -31.112 1.00 0.00 H new ATOM 306 N GLY A 79 5.721 0.649 -25.030 1.00 0.00 N ATOM 307 CA GLY A 79 4.335 0.226 -25.109 1.00 0.00 C ATOM 308 C GLY A 79 3.367 1.387 -25.006 1.00 0.00 C ATOM 309 O GLY A 79 2.515 1.574 -25.875 1.00 0.00 O ATOM 0 H GLY A 79 6.262 0.206 -24.288 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.171 -0.297 -26.051 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.130 -0.486 -24.310 1.00 0.00 H new ATOM 313 N VAL A 80 3.496 2.170 -23.939 1.00 0.00 N ATOM 314 CA VAL A 80 2.625 3.320 -23.725 1.00 0.00 C ATOM 315 C VAL A 80 2.783 4.345 -24.842 1.00 0.00 C ATOM 316 O VAL A 80 1.823 5.014 -25.225 1.00 0.00 O ATOM 317 CB VAL A 80 2.915 4.000 -22.374 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.954 5.155 -22.140 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.833 2.989 -21.240 1.00 0.00 C ATOM 0 H VAL A 80 4.195 2.029 -23.210 1.00 0.00 H new ATOM 0 HA VAL A 80 1.601 2.945 -23.722 1.00 0.00 H new ATOM 0 HB VAL A 80 3.928 4.402 -22.399 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.174 5.623 -21.181 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.068 5.890 -22.937 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.930 4.781 -22.135 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.041 3.487 -20.293 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.833 2.556 -21.211 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.566 2.199 -21.403 1.00 0.00 H new ATOM 329 N MET A 81 4.000 4.463 -25.362 1.00 0.00 N ATOM 330 CA MET A 81 4.284 5.406 -26.437 1.00 0.00 C ATOM 331 C MET A 81 3.545 5.013 -27.713 1.00 0.00 C ATOM 332 O MET A 81 2.914 5.850 -28.358 1.00 0.00 O ATOM 333 CB MET A 81 5.789 5.470 -26.704 1.00 0.00 C ATOM 334 CG MET A 81 6.554 6.290 -25.678 1.00 0.00 C ATOM 335 SD MET A 81 7.208 7.825 -26.362 1.00 0.00 S ATOM 336 CE MET A 81 8.545 7.200 -27.376 1.00 0.00 C ATOM 0 H MET A 81 4.806 3.917 -25.056 1.00 0.00 H new ATOM 0 HA MET A 81 3.936 6.391 -26.125 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.190 4.457 -26.719 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.956 5.894 -27.694 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.896 6.521 -24.840 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.376 5.694 -25.282 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.093 8.036 -27.811 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.220 6.604 -26.762 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.137 6.579 -28.174 1.00 0.00 H new ATOM 346 N ALA A 82 3.630 3.736 -28.071 1.00 0.00 N ATOM 347 CA ALA A 82 2.968 3.234 -29.269 1.00 0.00 C ATOM 348 C ALA A 82 1.452 3.310 -29.132 1.00 0.00 C ATOM 349 O ALA A 82 0.756 3.740 -30.051 1.00 0.00 O ATOM 350 CB ALA A 82 3.403 1.803 -29.551 1.00 0.00 C ATOM 0 H ALA A 82 4.150 3.031 -27.549 1.00 0.00 H new ATOM 0 HA ALA A 82 3.262 3.865 -30.108 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.901 1.440 -30.448 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.482 1.774 -29.702 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.138 1.169 -28.705 1.00 0.00 H new ATOM 356 N GLY A 83 0.945 2.889 -27.977 1.00 0.00 N ATOM 357 CA GLY A 83 -0.487 2.917 -27.741 1.00 0.00 C ATOM 358 C GLY A 83 -1.054 4.323 -27.782 1.00 0.00 C ATOM 359 O GLY A 83 -2.028 4.587 -28.487 1.00 0.00 O ATOM 0 H GLY A 83 1.500 2.529 -27.201 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.988 2.305 -28.491 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.701 2.470 -26.770 1.00 0.00 H new ATOM 363 N VAL A 84 -0.443 5.228 -27.024 1.00 0.00 N ATOM 364 CA VAL A 84 -0.893 6.614 -26.976 1.00 0.00 C ATOM 365 C VAL A 84 -0.972 7.214 -28.375 1.00 0.00 C ATOM 366 O VAL A 84 -2.029 7.677 -28.804 1.00 0.00 O ATOM 367 CB VAL A 84 0.043 7.478 -26.110 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.263 8.956 -26.304 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.076 7.088 -24.645 1.00 0.00 C ATOM 0 H VAL A 84 0.365 5.026 -26.435 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.887 6.609 -26.529 1.00 0.00 H new ATOM 0 HB VAL A 84 1.071 7.300 -26.427 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.408 9.551 -25.684 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.121 9.222 -27.351 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.295 9.155 -26.015 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.592 7.709 -24.048 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.103 7.236 -24.311 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.198 6.040 -24.524 1.00 0.00 H new ATOM 816 N ILE B 73 5.800 -9.946 -22.407 1.00 0.00 N ATOM 817 CA ILE B 73 4.588 -9.666 -23.167 1.00 0.00 C ATOM 818 C ILE B 73 3.590 -8.867 -22.335 1.00 0.00 C ATOM 819 O ILE B 73 3.120 -7.809 -22.755 1.00 0.00 O ATOM 820 CB ILE B 73 3.913 -10.964 -23.649 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.874 -11.767 -24.528 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.633 -10.645 -24.408 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.501 -13.228 -24.651 1.00 0.00 C ATOM 0 HA ILE B 73 4.888 -9.078 -24.034 1.00 0.00 H new ATOM 0 HB ILE B 73 3.655 -11.568 -22.779 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.902 -11.322 -25.523 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.880 -11.690 -24.116 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.167 -11.572 -24.742 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.946 -10.109 -23.753 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.868 -10.025 -25.273 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.225 -13.736 -25.288 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.501 -13.688 -23.663 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.507 -13.314 -25.091 1.00 0.00 H new ATOM 835 N THR B 74 3.273 -9.378 -21.149 1.00 0.00 N ATOM 836 CA THR B 74 2.332 -8.712 -20.257 1.00 0.00 C ATOM 837 C THR B 74 2.678 -7.236 -20.095 1.00 0.00 C ATOM 838 O THR B 74 1.810 -6.369 -20.204 1.00 0.00 O ATOM 839 CB THR B 74 2.309 -9.377 -18.868 1.00 0.00 C ATOM 840 OG1 THR B 74 1.962 -10.761 -18.993 1.00 0.00 O ATOM 841 CG2 THR B 74 1.314 -8.681 -17.951 1.00 0.00 C ATOM 0 H THR B 74 3.654 -10.251 -20.784 1.00 0.00 H new ATOM 0 HA THR B 74 1.346 -8.803 -20.713 1.00 0.00 H new ATOM 0 HB THR B 74 3.304 -9.290 -18.432 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.951 -11.177 -18.106 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.315 -9.168 -16.976 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.597 -7.635 -17.834 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.316 -8.741 -18.385 1.00 0.00 H new ATOM 849 N LEU B 75 3.951 -6.957 -19.836 1.00 0.00 N ATOM 850 CA LEU B 75 4.412 -5.584 -19.660 1.00 0.00 C ATOM 851 C LEU B 75 4.067 -4.733 -20.878 1.00 0.00 C ATOM 852 O LEU B 75 3.498 -3.649 -20.749 1.00 0.00 O ATOM 853 CB LEU B 75 5.922 -5.560 -19.418 1.00 0.00 C ATOM 854 CG LEU B 75 6.405 -6.215 -18.124 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.925 -6.218 -18.062 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.822 -5.498 -16.914 1.00 0.00 C ATOM 0 H LEU B 75 4.682 -7.663 -19.743 1.00 0.00 H new ATOM 0 HA LEU B 75 3.904 -5.165 -18.792 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.412 -6.054 -20.257 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.254 -4.522 -19.422 1.00 0.00 H new ATOM 0 HG LEU B 75 6.059 -7.249 -18.111 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.250 -6.688 -17.134 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.323 -6.775 -18.910 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.293 -5.192 -18.097 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.176 -5.977 -16.001 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.138 -4.455 -16.922 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.734 -5.548 -16.951 1.00 0.00 H new ATOM 868 N ILE B 76 4.412 -5.233 -22.060 1.00 0.00 N ATOM 869 CA ILE B 76 4.136 -4.521 -23.301 1.00 0.00 C ATOM 870 C ILE B 76 2.650 -4.202 -23.432 1.00 0.00 C ATOM 871 O ILE B 76 2.274 -3.086 -23.792 1.00 0.00 O ATOM 872 CB ILE B 76 4.586 -5.333 -24.529 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.056 -5.736 -24.391 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.367 -4.532 -25.803 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.990 -4.559 -24.220 1.00 0.00 C ATOM 0 H ILE B 76 4.883 -6.129 -22.184 1.00 0.00 H new ATOM 0 HA ILE B 76 4.703 -3.591 -23.264 1.00 0.00 H new ATOM 0 HB ILE B 76 3.985 -6.240 -24.586 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.163 -6.402 -23.535 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.354 -6.301 -25.274 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.690 -5.120 -26.662 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.309 -4.292 -25.905 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.945 -3.609 -25.757 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.015 -4.918 -24.128 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.912 -3.903 -25.087 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.718 -4.006 -23.321 1.00 0.00 H new ATOM 887 N ILE B 77 1.811 -5.188 -23.138 1.00 0.00 N ATOM 888 CA ILE B 77 0.366 -5.012 -23.220 1.00 0.00 C ATOM 889 C ILE B 77 -0.118 -3.970 -22.218 1.00 0.00 C ATOM 890 O ILE B 77 -0.852 -3.047 -22.571 1.00 0.00 O ATOM 891 CB ILE B 77 -0.378 -6.336 -22.968 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.038 -7.354 -24.059 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.879 -6.097 -22.908 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.624 -7.009 -25.410 1.00 0.00 C ATOM 0 H ILE B 77 2.106 -6.118 -22.841 1.00 0.00 H new ATOM 0 HA ILE B 77 0.147 -4.669 -24.231 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.055 -6.740 -22.008 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.046 -7.429 -24.150 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.401 -8.336 -23.755 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.391 -7.042 -22.729 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.105 -5.403 -22.098 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.218 -5.674 -23.853 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.343 -7.773 -26.134 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.710 -6.963 -25.334 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.242 -6.042 -25.736 1.00 0.00 H new ATOM 906 N PHE B 78 0.297 -4.124 -20.965 1.00 0.00 N ATOM 907 CA PHE B 78 -0.094 -3.197 -19.910 1.00 0.00 C ATOM 908 C PHE B 78 0.251 -1.760 -20.294 1.00 0.00 C ATOM 909 O PHE B 78 -0.574 -0.857 -20.164 1.00 0.00 O ATOM 910 CB PHE B 78 0.597 -3.565 -18.596 1.00 0.00 C ATOM 911 CG PHE B 78 0.456 -2.516 -17.530 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.625 -2.530 -16.664 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.406 -1.516 -17.394 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.757 -1.566 -15.683 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.279 -0.549 -16.414 1.00 0.00 C ATOM 916 CZ PHE B 78 0.197 -0.575 -15.557 1.00 0.00 C ATOM 0 H PHE B 78 0.904 -4.883 -20.655 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.173 -3.271 -19.778 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.183 -4.504 -18.228 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.656 -3.737 -18.788 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.373 -3.303 -16.757 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.255 -1.492 -18.061 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.605 -1.587 -15.015 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.025 0.226 -16.319 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.097 0.178 -14.789 1.00 0.00 H new ATOM 926 N GLY B 79 1.477 -1.558 -20.767 1.00 0.00 N ATOM 927 CA GLY B 79 1.910 -0.230 -21.161 1.00 0.00 C ATOM 928 C GLY B 79 1.005 0.387 -22.209 1.00 0.00 C ATOM 929 O GLY B 79 0.495 1.493 -22.025 1.00 0.00 O ATOM 0 H GLY B 79 2.178 -2.290 -20.884 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.937 0.415 -20.283 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.927 -0.283 -21.549 1.00 0.00 H new ATOM 933 N VAL B 80 0.806 -0.327 -23.312 1.00 0.00 N ATOM 934 CA VAL B 80 -0.043 0.158 -24.393 1.00 0.00 C ATOM 935 C VAL B 80 -1.481 0.345 -23.922 1.00 0.00 C ATOM 936 O VAL B 80 -2.180 1.252 -24.374 1.00 0.00 O ATOM 937 CB VAL B 80 -0.030 -0.807 -25.593 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.862 -0.249 -26.738 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.398 -1.077 -26.044 1.00 0.00 C ATOM 0 H VAL B 80 1.221 -1.243 -23.480 1.00 0.00 H new ATOM 0 HA VAL B 80 0.362 1.121 -24.705 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.474 -1.752 -25.281 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.840 -0.945 -27.576 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.891 -0.112 -26.407 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.451 0.710 -27.052 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.388 -1.761 -26.893 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.870 -0.140 -26.339 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.960 -1.524 -25.224 1.00 0.00 H new ATOM 949 N MET B 81 -1.916 -0.518 -23.010 1.00 0.00 N ATOM 950 CA MET B 81 -3.270 -0.447 -22.475 1.00 0.00 C ATOM 951 C MET B 81 -3.470 0.834 -21.670 1.00 0.00 C ATOM 952 O MET B 81 -4.470 1.532 -21.836 1.00 0.00 O ATOM 953 CB MET B 81 -3.560 -1.665 -21.596 1.00 0.00 C ATOM 954 CG MET B 81 -3.855 -2.929 -22.388 1.00 0.00 C ATOM 955 SD MET B 81 -5.587 -3.054 -22.875 1.00 0.00 S ATOM 956 CE MET B 81 -5.515 -4.418 -24.035 1.00 0.00 C ATOM 0 H MET B 81 -1.350 -1.275 -22.626 1.00 0.00 H new ATOM 0 HA MET B 81 -3.965 -0.441 -23.315 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.704 -1.845 -20.945 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.410 -1.443 -20.951 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.228 -2.949 -23.280 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.586 -3.799 -21.790 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.513 -4.617 -24.425 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.848 -4.161 -24.858 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.140 -5.307 -23.528 1.00 0.00 H new ATOM 966 N ALA B 82 -2.513 1.135 -20.798 1.00 0.00 N ATOM 967 CA ALA B 82 -2.584 2.332 -19.970 1.00 0.00 C ATOM 968 C ALA B 82 -2.486 3.594 -20.820 1.00 0.00 C ATOM 969 O ALA B 82 -3.251 4.540 -20.635 1.00 0.00 O ATOM 970 CB ALA B 82 -1.483 2.313 -18.920 1.00 0.00 C ATOM 0 H ALA B 82 -1.680 0.566 -20.647 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.551 2.339 -19.467 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.548 3.213 -18.309 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.600 1.434 -18.286 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.511 2.278 -19.412 1.00 0.00 H new ATOM 976 N GLY B 83 -1.538 3.603 -21.752 1.00 0.00 N ATOM 977 CA GLY B 83 -1.357 4.755 -22.616 1.00 0.00 C ATOM 978 C GLY B 83 -2.576 5.035 -23.472 1.00 0.00 C ATOM 979 O GLY B 83 -3.077 6.159 -23.503 1.00 0.00 O ATOM 0 H GLY B 83 -0.892 2.833 -21.924 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.136 5.631 -22.006 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.494 4.589 -23.261 1.00 0.00 H new ATOM 983 N VAL B 84 -3.056 4.010 -24.170 1.00 0.00 N ATOM 984 CA VAL B 84 -4.223 4.152 -25.031 1.00 0.00 C ATOM 985 C VAL B 84 -5.405 4.732 -24.263 1.00 0.00 C ATOM 986 O VAL B 84 -5.953 5.769 -24.639 1.00 0.00 O ATOM 987 CB VAL B 84 -4.637 2.800 -25.643 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.003 2.908 -26.303 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.590 2.324 -26.639 1.00 0.00 C ATOM 0 H VAL B 84 -2.654 3.073 -24.155 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.943 4.835 -25.833 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.705 2.064 -24.842 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.278 1.943 -26.729 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.744 3.201 -25.559 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.967 3.657 -27.094 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.898 1.368 -27.062 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.488 3.058 -27.438 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.633 2.205 -26.132 1.00 0.00 H new ATOM 999 N ILE B 85 -5.793 4.058 -23.186 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.910 4.508 -22.364 1.00 0.00 C ATOM 1001 C ILE B 85 -6.695 5.939 -21.882 1.00 0.00 C ATOM 1002 O ILE B 85 -7.621 6.749 -21.878 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.115 3.592 -21.144 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.365 2.152 -21.595 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.272 4.095 -20.293 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.151 1.129 -20.502 1.00 0.00 C ATOM 0 H ILE B 85 -5.350 3.198 -22.862 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.801 4.468 -22.991 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.209 3.610 -20.539 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.387 2.068 -21.964 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.704 1.922 -22.431 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.405 3.437 -19.434 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -8.056 5.106 -19.946 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.185 4.103 -20.888 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.346 0.131 -20.894 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.122 1.185 -20.148 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.831 1.333 -19.675 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.466 6.243 -21.478 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.151 7.577 -21.000 1.00 0.00 C ATOM 1020 C GLY B 86 -5.441 8.646 -22.035 1.00 0.00 C ATOM 1021 O GLY B 86 -6.135 9.624 -21.751 1.00 0.00 O ATOM 0 H GLY B 86 -4.683 5.590 -21.473 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.728 7.782 -20.098 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.098 7.621 -20.722 1.00 0.00 H new ATOM 1025 N THR B 87 -4.909 8.463 -23.239 1.00 0.00 N ATOM 1026 CA THR B 87 -5.111 9.421 -24.318 1.00 0.00 C ATOM 1027 C THR B 87 -6.596 9.629 -24.597 1.00 0.00 C ATOM 1028 O THR B 87 -7.051 10.759 -24.772 1.00 0.00 O ATOM 1029 CB THR B 87 -4.416 8.963 -25.614 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.158 8.354 -25.306 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.199 10.137 -26.556 1.00 0.00 C ATOM 0 H THR B 87 -4.334 7.659 -23.491 1.00 0.00 H new ATOM 0 HA THR B 87 -4.670 10.363 -23.992 1.00 0.00 H new ATOM 0 HB THR B 87 -5.060 8.236 -26.108 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.738 8.830 -24.559 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.707 9.789 -27.464 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.161 10.581 -26.812 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.573 10.884 -26.068 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.344 8.532 -24.637 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.778 8.595 -24.893 1.00 0.00 C ATOM 1041 C ILE B 88 -9.472 9.529 -23.907 1.00 0.00 C ATOM 1042 O ILE B 88 -10.218 10.425 -24.304 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.427 7.202 -24.807 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.790 6.254 -25.825 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.928 7.301 -25.036 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.926 4.793 -25.459 1.00 0.00 C ATOM 0 H ILE B 88 -6.981 7.589 -24.496 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.901 8.982 -25.905 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.257 6.800 -23.808 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.248 6.420 -26.800 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.732 6.498 -25.924 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.372 6.308 -24.972 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.370 7.946 -24.277 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.118 7.721 -26.024 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.452 4.180 -26.226 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.443 4.612 -24.499 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.982 4.532 -25.388 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.220 9.315 -22.621 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.818 10.138 -21.576 1.00 0.00 C ATOM 1060 C LEU B 89 -9.489 11.612 -21.789 1.00 0.00 C ATOM 1061 O LEU B 89 -10.383 12.459 -21.836 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.326 9.688 -20.200 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.941 8.398 -19.656 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.998 7.734 -18.665 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.287 8.680 -19.007 1.00 0.00 C ATOM 0 H LEU B 89 -8.605 8.578 -22.276 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.900 10.015 -21.626 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.245 9.560 -20.247 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.521 10.489 -19.487 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.099 7.714 -20.490 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.452 6.818 -18.288 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.058 7.495 -19.162 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.807 8.413 -17.834 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.709 7.750 -18.626 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.154 9.382 -18.184 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.964 9.110 -19.745 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.202 11.913 -21.921 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.754 13.285 -22.132 1.00 0.00 C ATOM 1079 C LEU B 90 -8.402 13.884 -23.376 1.00 0.00 C ATOM 1080 O LEU B 90 -8.951 14.985 -23.332 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.231 13.330 -22.264 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.437 12.836 -21.055 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.098 12.262 -21.493 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.233 13.963 -20.053 1.00 0.00 C ATOM 0 H LEU B 90 -7.450 11.225 -21.886 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.055 13.877 -21.268 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.944 12.734 -23.130 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.935 14.358 -22.472 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.008 12.044 -20.570 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.547 11.916 -20.619 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.265 11.425 -22.171 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.521 13.033 -22.003 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.666 13.592 -19.199 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.685 14.777 -20.527 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.202 14.328 -19.714 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.336 13.151 -24.482 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.920 13.609 -25.737 1.00 0.00 C ATOM 1098 C ILE B 91 -10.393 13.960 -25.562 1.00 0.00 C ATOM 1099 O ILE B 91 -10.841 15.028 -25.979 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.785 12.544 -26.842 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.312 12.330 -27.197 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.578 12.956 -28.073 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.026 10.970 -27.794 1.00 0.00 C ATOM 0 H ILE B 91 -7.884 12.238 -24.535 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.369 14.501 -26.034 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.190 11.602 -26.471 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.001 13.100 -27.903 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.708 12.458 -26.299 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.473 12.194 -28.845 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.630 13.063 -27.809 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.200 13.907 -28.448 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.963 10.889 -28.021 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.305 10.194 -27.082 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.603 10.846 -28.710 1.00 0.00 H new ATOM 1115 N SER B 92 -11.142 13.054 -24.941 1.00 0.00 N ATOM 1116 CA SER B 92 -12.566 13.267 -24.712 1.00 0.00 C ATOM 1117 C SER B 92 -12.807 14.576 -23.966 1.00 0.00 C ATOM 1118 O SER B 92 -13.855 15.205 -24.116 1.00 0.00 O ATOM 1119 CB SER B 92 -13.157 12.099 -23.920 1.00 0.00 C ATOM 1120 OG SER B 92 -14.541 12.291 -23.685 1.00 0.00 O ATOM 0 H SER B 92 -10.786 12.166 -24.588 1.00 0.00 H new ATOM 0 HA SER B 92 -13.060 13.326 -25.682 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.003 11.169 -24.468 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.634 11.999 -22.969 1.00 0.00 H new ATOM 0 HG SER B 92 -14.895 11.530 -23.179 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.830 14.979 -23.162 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.935 16.212 -22.390 1.00 0.00 C ATOM 1128 C TYR B 93 -11.787 17.434 -23.292 1.00 0.00 C ATOM 1129 O TYR B 93 -12.450 18.451 -23.092 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.871 16.243 -21.292 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.225 17.144 -20.130 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.043 16.694 -19.101 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.741 18.444 -20.062 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.370 17.515 -18.039 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.061 19.271 -19.003 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.877 18.802 -17.994 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.199 19.622 -16.937 1.00 0.00 O ATOM 0 H TYR B 93 -10.956 14.470 -23.028 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.923 16.240 -21.930 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.715 15.230 -20.921 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.926 16.574 -21.723 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.430 15.686 -19.132 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.103 18.815 -20.851 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.009 17.151 -17.248 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.675 20.279 -18.965 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.770 20.495 -17.057 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.912 17.325 -24.287 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.692 18.426 -25.205 1.00 0.00 C ATOM 1149 C GLY B 94 -11.921 18.745 -26.034 1.00 0.00 C ATOM 1150 O GLY B 94 -12.205 19.910 -26.312 1.00 0.00 O ATOM 0 H GLY B 94 -10.352 16.493 -24.473 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.398 19.311 -24.641 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.863 18.181 -25.869 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.650 17.707 -26.430 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.855 17.883 -27.232 1.00 0.00 C ATOM 1156 C ILE B 95 -14.936 18.616 -26.446 1.00 0.00 C ATOM 1157 O ILE B 95 -15.738 19.356 -27.017 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.413 16.530 -27.712 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.368 15.790 -28.549 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.690 16.739 -28.513 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.983 16.518 -29.817 1.00 0.00 C ATOM 0 H ILE B 95 -12.428 16.736 -26.209 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.573 18.479 -28.100 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.649 15.921 -26.840 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.475 15.633 -27.944 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.754 14.804 -28.809 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.073 15.774 -28.846 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.436 17.229 -27.887 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.477 17.364 -29.381 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.239 15.935 -30.360 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.866 16.651 -30.442 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.567 17.493 -29.565 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.951 18.408 -25.134 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.934 19.050 -24.269 1.00 0.00 C ATOM 1175 C ARG B 96 -15.606 20.528 -24.079 1.00 0.00 C ATOM 1176 O ARG B 96 -16.494 21.344 -23.828 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.985 18.349 -22.911 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.131 17.359 -22.779 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.448 17.065 -21.321 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.593 16.170 -21.180 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.851 16.548 -21.384 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.122 17.797 -21.736 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.839 15.675 -21.236 1.00 0.00 N ATOM 0 H ARG B 96 -14.293 17.800 -24.646 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.910 18.970 -24.748 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.043 17.826 -22.746 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.073 19.101 -22.127 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.017 17.759 -23.272 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -16.873 16.432 -23.291 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.577 16.617 -20.844 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.652 18.000 -20.799 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.418 15.202 -20.910 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.364 18.470 -21.851 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.088 18.085 -21.892 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.633 14.713 -20.966 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.804 15.966 -21.393 1.00 0.00 H new