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 -36:sc= -1.23 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 11.992 -1.228 -18.079 1.00 0.00 N ATOM 197 CA ILE A 73 11.603 0.175 -18.135 1.00 0.00 C ATOM 198 C ILE A 73 11.338 0.615 -19.571 1.00 0.00 C ATOM 199 O ILE A 73 10.263 1.127 -19.887 1.00 0.00 O ATOM 200 CB ILE A 73 12.686 1.084 -17.524 1.00 0.00 C ATOM 201 CG1 ILE A 73 14.080 0.568 -17.885 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.519 1.163 -16.013 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.923 1.579 -18.631 1.00 0.00 C ATOM 0 HA ILE A 73 10.687 0.272 -17.552 1.00 0.00 H new ATOM 0 HB ILE A 73 12.573 2.087 -17.936 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.599 0.277 -16.972 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.980 -0.330 -18.494 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.291 1.809 -15.595 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.537 1.572 -15.776 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.609 0.165 -15.584 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.898 1.146 -18.855 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.425 1.852 -19.561 1.00 0.00 H new ATOM 0 HD13 ILE A 73 15.054 2.469 -18.015 1.00 0.00 H new ATOM 215 N THR A 74 12.324 0.410 -20.439 1.00 0.00 N ATOM 216 CA THR A 74 12.197 0.785 -21.842 1.00 0.00 C ATOM 217 C THR A 74 10.939 0.186 -22.459 1.00 0.00 C ATOM 218 O THR A 74 10.202 0.866 -23.175 1.00 0.00 O ATOM 219 CB THR A 74 13.422 0.330 -22.657 1.00 0.00 C ATOM 220 OG1 THR A 74 14.625 0.804 -22.040 1.00 0.00 O ATOM 221 CG2 THR A 74 13.343 0.845 -24.086 1.00 0.00 C ATOM 0 H THR A 74 13.219 -0.014 -20.195 1.00 0.00 H new ATOM 0 HA THR A 74 12.131 1.873 -21.875 1.00 0.00 H new ATOM 0 HB THR A 74 13.431 -0.760 -22.680 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.399 0.509 -22.563 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.219 0.511 -24.642 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.442 0.459 -24.562 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.312 1.935 -24.079 1.00 0.00 H new ATOM 229 N LEU A 75 10.698 -1.090 -22.179 1.00 0.00 N ATOM 230 CA LEU A 75 9.527 -1.781 -22.707 1.00 0.00 C ATOM 231 C LEU A 75 8.244 -1.054 -22.318 1.00 0.00 C ATOM 232 O LEU A 75 7.384 -0.797 -23.162 1.00 0.00 O ATOM 233 CB LEU A 75 9.486 -3.222 -22.194 1.00 0.00 C ATOM 234 CG LEU A 75 10.448 -4.202 -22.867 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.300 -5.591 -22.267 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.208 -4.238 -24.369 1.00 0.00 C ATOM 0 H LEU A 75 11.298 -1.667 -21.589 1.00 0.00 H new ATOM 0 HA LEU A 75 9.601 -1.791 -23.794 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.698 -3.212 -21.125 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.471 -3.600 -22.314 1.00 0.00 H new ATOM 0 HG LEU A 75 11.468 -3.860 -22.691 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.992 -6.275 -22.758 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.523 -5.552 -21.201 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.278 -5.943 -22.411 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.901 -4.940 -24.832 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.184 -4.556 -24.566 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.366 -3.244 -24.787 1.00 0.00 H new ATOM 248 N ILE A 76 8.122 -0.724 -21.037 1.00 0.00 N ATOM 249 CA ILE A 76 6.946 -0.023 -20.537 1.00 0.00 C ATOM 250 C ILE A 76 6.722 1.283 -21.292 1.00 0.00 C ATOM 251 O ILE A 76 5.603 1.589 -21.704 1.00 0.00 O ATOM 252 CB ILE A 76 7.069 0.282 -19.033 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.298 -1.010 -18.245 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.823 0.998 -18.534 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.173 -2.011 -18.386 1.00 0.00 C ATOM 0 H ILE A 76 8.824 -0.931 -20.326 1.00 0.00 H new ATOM 0 HA ILE A 76 6.094 -0.684 -20.697 1.00 0.00 H new ATOM 0 HB ILE A 76 7.927 0.936 -18.880 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.227 -1.471 -18.580 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.426 -0.765 -17.191 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.925 1.207 -17.469 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.700 1.935 -19.077 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.950 0.366 -18.698 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.403 -2.902 -17.801 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.245 -1.569 -18.024 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.059 -2.285 -19.435 1.00 0.00 H new ATOM 267 N ILE A 77 7.794 2.047 -21.472 1.00 0.00 N ATOM 268 CA ILE A 77 7.715 3.319 -22.181 1.00 0.00 C ATOM 269 C ILE A 77 7.309 3.112 -23.636 1.00 0.00 C ATOM 270 O ILE A 77 6.391 3.764 -24.134 1.00 0.00 O ATOM 271 CB ILE A 77 9.057 4.073 -22.136 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.414 4.438 -20.693 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.993 5.321 -23.003 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.528 5.513 -20.105 1.00 0.00 C ATOM 0 H ILE A 77 8.727 1.808 -21.137 1.00 0.00 H new ATOM 0 HA ILE A 77 6.956 3.916 -21.676 1.00 0.00 H new ATOM 0 HB ILE A 77 9.836 3.421 -22.530 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.347 3.544 -20.073 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.451 4.773 -20.657 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.949 5.843 -22.961 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.780 5.037 -24.034 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.204 5.978 -22.637 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.839 5.721 -19.081 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.613 6.421 -20.701 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.492 5.173 -20.108 1.00 0.00 H new ATOM 286 N PHE A 78 7.998 2.200 -24.313 1.00 0.00 N ATOM 287 CA PHE A 78 7.709 1.906 -25.712 1.00 0.00 C ATOM 288 C PHE A 78 6.238 1.547 -25.900 1.00 0.00 C ATOM 289 O PHE A 78 5.567 2.073 -26.787 1.00 0.00 O ATOM 290 CB PHE A 78 8.593 0.760 -26.208 1.00 0.00 C ATOM 291 CG PHE A 78 8.212 0.256 -27.570 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.720 0.855 -28.712 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.347 -0.818 -27.710 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.371 0.393 -29.967 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.995 -1.284 -28.962 1.00 0.00 C ATOM 296 CZ PHE A 78 7.508 -0.678 -30.092 1.00 0.00 C ATOM 0 H PHE A 78 8.761 1.651 -23.916 1.00 0.00 H new ATOM 0 HA PHE A 78 7.924 2.800 -26.297 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.630 1.095 -26.230 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.539 -0.064 -25.496 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.396 1.692 -28.620 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.943 -1.296 -26.830 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.773 0.869 -30.849 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.319 -2.121 -29.057 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.235 -1.041 -31.072 1.00 0.00 H new ATOM 306 N GLY A 79 5.743 0.646 -25.057 1.00 0.00 N ATOM 307 CA GLY A 79 4.355 0.230 -25.146 1.00 0.00 C ATOM 308 C GLY A 79 3.393 1.398 -25.055 1.00 0.00 C ATOM 309 O GLY A 79 2.557 1.593 -25.937 1.00 0.00 O ATOM 0 H GLY A 79 6.278 0.197 -24.314 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.196 -0.295 -26.088 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.139 -0.478 -24.346 1.00 0.00 H new ATOM 313 N VAL A 80 3.510 2.176 -23.984 1.00 0.00 N ATOM 314 CA VAL A 80 2.643 3.331 -23.780 1.00 0.00 C ATOM 315 C VAL A 80 2.805 4.346 -24.906 1.00 0.00 C ATOM 316 O VAL A 80 1.850 5.020 -25.290 1.00 0.00 O ATOM 317 CB VAL A 80 2.935 4.022 -22.435 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.970 5.175 -22.206 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.861 3.019 -21.294 1.00 0.00 C ATOM 0 H VAL A 80 4.196 2.028 -23.244 1.00 0.00 H new ATOM 0 HA VAL A 80 1.618 2.960 -23.774 1.00 0.00 H new ATOM 0 HB VAL A 80 3.946 4.428 -22.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.192 5.651 -21.251 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.078 5.905 -23.009 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.948 4.797 -22.194 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.070 3.524 -20.351 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.863 2.582 -21.258 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.597 2.231 -21.454 1.00 0.00 H new ATOM 329 N MET A 81 4.022 4.448 -25.432 1.00 0.00 N ATOM 330 CA MET A 81 4.309 5.380 -26.516 1.00 0.00 C ATOM 331 C MET A 81 3.548 4.994 -27.781 1.00 0.00 C ATOM 332 O MET A 81 2.919 5.837 -28.419 1.00 0.00 O ATOM 333 CB MET A 81 5.811 5.416 -26.802 1.00 0.00 C ATOM 334 CG MET A 81 6.604 6.226 -25.788 1.00 0.00 C ATOM 335 SD MET A 81 6.457 8.004 -26.053 1.00 0.00 S ATOM 336 CE MET A 81 8.109 8.547 -25.624 1.00 0.00 C ATOM 0 H MET A 81 4.824 3.897 -25.125 1.00 0.00 H new ATOM 0 HA MET A 81 3.982 6.372 -26.205 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.194 4.396 -26.819 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.973 5.834 -27.796 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.258 5.982 -24.783 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.654 5.940 -25.842 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.177 9.629 -25.738 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.324 8.277 -24.590 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.832 8.066 -26.283 1.00 0.00 H new ATOM 346 N ALA A 82 3.611 3.715 -28.137 1.00 0.00 N ATOM 347 CA ALA A 82 2.926 3.218 -29.324 1.00 0.00 C ATOM 348 C ALA A 82 1.413 3.324 -29.169 1.00 0.00 C ATOM 349 O ALA A 82 0.714 3.748 -30.088 1.00 0.00 O ATOM 350 CB ALA A 82 3.332 1.778 -29.602 1.00 0.00 C ATOM 0 H ALA A 82 4.129 3.004 -27.620 1.00 0.00 H new ATOM 0 HA ALA A 82 3.221 3.837 -30.171 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.813 1.419 -30.491 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.409 1.729 -29.765 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.065 1.154 -28.749 1.00 0.00 H new ATOM 356 N GLY A 83 0.913 2.934 -28.000 1.00 0.00 N ATOM 357 CA GLY A 83 -0.515 2.992 -27.748 1.00 0.00 C ATOM 358 C GLY A 83 -1.052 4.409 -27.780 1.00 0.00 C ATOM 359 O GLY A 83 -2.026 4.696 -28.476 1.00 0.00 O ATOM 0 H GLY A 83 1.471 2.579 -27.224 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.037 2.392 -28.493 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.728 2.548 -26.775 1.00 0.00 H new ATOM 363 N VAL A 84 -0.417 5.298 -27.022 1.00 0.00 N ATOM 364 CA VAL A 84 -0.838 6.693 -26.966 1.00 0.00 C ATOM 365 C VAL A 84 -0.915 7.300 -28.362 1.00 0.00 C ATOM 366 O VAL A 84 -1.977 7.746 -28.798 1.00 0.00 O ATOM 367 CB VAL A 84 0.123 7.534 -26.105 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.161 9.018 -26.282 1.00 0.00 C ATOM 369 CG2 VAL A 84 0.015 7.133 -24.641 1.00 0.00 C ATOM 0 H VAL A 84 0.390 5.077 -26.439 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.829 6.707 -26.512 1.00 0.00 H new ATOM 0 HB VAL A 84 1.143 7.342 -26.437 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.528 9.596 -25.666 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.029 9.291 -27.329 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.186 9.231 -25.978 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.701 7.737 -24.047 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.005 7.295 -24.294 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.272 6.079 -24.532 1.00 0.00 H new ATOM 816 N ILE B 73 5.873 -9.844 -22.299 1.00 0.00 N ATOM 817 CA ILE B 73 4.664 -9.605 -23.076 1.00 0.00 C ATOM 818 C ILE B 73 3.644 -8.804 -22.274 1.00 0.00 C ATOM 819 O ILE B 73 3.168 -7.759 -22.719 1.00 0.00 O ATOM 820 CB ILE B 73 4.018 -10.927 -23.532 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.001 -11.734 -24.382 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.739 -10.652 -24.309 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.662 -13.206 -24.464 1.00 0.00 C ATOM 0 HA ILE B 73 4.962 -9.033 -23.955 1.00 0.00 H new ATOM 0 HB ILE B 73 3.764 -11.513 -22.649 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.024 -11.318 -25.389 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.003 -11.623 -23.968 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.295 -11.596 -24.624 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.036 -10.114 -23.673 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.969 -10.048 -25.187 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.401 -13.716 -25.082 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.667 -13.637 -23.463 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.673 -13.328 -24.906 1.00 0.00 H new ATOM 835 N THR B 74 3.312 -9.300 -21.085 1.00 0.00 N ATOM 836 CA THR B 74 2.350 -8.631 -20.220 1.00 0.00 C ATOM 837 C THR B 74 2.679 -7.150 -20.072 1.00 0.00 C ATOM 838 O THR B 74 1.802 -6.293 -20.190 1.00 0.00 O ATOM 839 CB THR B 74 2.307 -9.277 -18.822 1.00 0.00 C ATOM 840 OG1 THR B 74 2.036 -10.678 -18.938 1.00 0.00 O ATOM 841 CG2 THR B 74 1.244 -8.620 -17.955 1.00 0.00 C ATOM 0 H THR B 74 3.696 -10.163 -20.700 1.00 0.00 H new ATOM 0 HA THR B 74 1.374 -8.738 -20.693 1.00 0.00 H new ATOM 0 HB THR B 74 3.279 -9.133 -18.349 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.012 -11.082 -18.045 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.232 -9.093 -16.973 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.469 -7.559 -17.844 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.268 -8.737 -18.425 1.00 0.00 H new ATOM 849 N LEU B 75 3.949 -6.854 -19.815 1.00 0.00 N ATOM 850 CA LEU B 75 4.395 -5.474 -19.653 1.00 0.00 C ATOM 851 C LEU B 75 4.046 -4.641 -20.881 1.00 0.00 C ATOM 852 O LEU B 75 3.494 -3.546 -20.765 1.00 0.00 O ATOM 853 CB LEU B 75 5.904 -5.431 -19.405 1.00 0.00 C ATOM 854 CG LEU B 75 6.397 -6.138 -18.142 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.914 -6.240 -18.145 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.912 -5.407 -16.898 1.00 0.00 C ATOM 0 H LEU B 75 4.687 -7.550 -19.714 1.00 0.00 H new ATOM 0 HA LEU B 75 3.879 -5.050 -18.791 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.406 -5.874 -20.265 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.215 -4.387 -19.358 1.00 0.00 H new ATOM 0 HG LEU B 75 5.986 -7.147 -18.130 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.246 -6.746 -17.239 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.239 -6.807 -19.017 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.346 -5.240 -18.181 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.272 -5.924 -16.009 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.294 -4.386 -16.904 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.822 -5.387 -16.890 1.00 0.00 H new ATOM 868 N ILE B 76 4.369 -5.167 -22.058 1.00 0.00 N ATOM 869 CA ILE B 76 4.086 -4.472 -23.308 1.00 0.00 C ATOM 870 C ILE B 76 2.603 -4.138 -23.428 1.00 0.00 C ATOM 871 O ILE B 76 2.236 -3.016 -23.776 1.00 0.00 O ATOM 872 CB ILE B 76 4.512 -5.312 -24.527 1.00 0.00 C ATOM 873 CG1 ILE B 76 5.976 -5.737 -24.395 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.296 -4.527 -25.812 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.947 -4.577 -24.430 1.00 0.00 C ATOM 0 H ILE B 76 4.827 -6.071 -22.172 1.00 0.00 H new ATOM 0 HA ILE B 76 4.664 -3.548 -23.293 1.00 0.00 H new ATOM 0 HB ILE B 76 3.895 -6.210 -24.565 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.105 -6.281 -23.459 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.219 -6.429 -25.202 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.602 -5.133 -26.665 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.241 -4.270 -25.909 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.890 -3.614 -25.785 1.00 0.00 H new ATOM 0 HD11 ILE B 76 7.966 -4.952 -24.331 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.846 -4.046 -25.377 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.730 -3.896 -23.607 1.00 0.00 H new ATOM 887 N ILE B 77 1.756 -5.119 -23.136 1.00 0.00 N ATOM 888 CA ILE B 77 0.313 -4.927 -23.208 1.00 0.00 C ATOM 889 C ILE B 77 -0.156 -3.892 -22.191 1.00 0.00 C ATOM 890 O ILE B 77 -0.882 -2.957 -22.531 1.00 0.00 O ATOM 891 CB ILE B 77 -0.443 -6.247 -22.965 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.064 -7.333 -23.916 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.940 -6.040 -23.139 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.759 -8.602 -23.879 1.00 0.00 C ATOM 0 H ILE B 77 2.044 -6.054 -22.848 1.00 0.00 H new ATOM 0 HA ILE B 77 0.092 -4.570 -24.214 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.257 -6.571 -21.941 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.067 -6.941 -24.933 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.097 -7.572 -23.664 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.460 -6.982 -22.964 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.290 -5.294 -22.425 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.144 -5.696 -24.153 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.342 -9.327 -24.578 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.742 -9.018 -22.872 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.788 -8.377 -24.161 1.00 0.00 H new ATOM 906 N PHE B 78 0.265 -4.064 -20.943 1.00 0.00 N ATOM 907 CA PHE B 78 -0.111 -3.144 -19.876 1.00 0.00 C ATOM 908 C PHE B 78 0.242 -1.706 -20.248 1.00 0.00 C ATOM 909 O PHE B 78 -0.575 -0.797 -20.101 1.00 0.00 O ATOM 910 CB PHE B 78 0.586 -3.531 -18.570 1.00 0.00 C ATOM 911 CG PHE B 78 0.459 -2.493 -17.492 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.617 -2.511 -16.619 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.414 -1.500 -17.351 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.737 -1.557 -15.626 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.300 -0.543 -16.360 1.00 0.00 C ATOM 916 CZ PHE B 78 0.223 -0.573 -15.496 1.00 0.00 C ATOM 0 H PHE B 78 0.867 -4.832 -20.645 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.190 -3.210 -19.737 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.168 -4.471 -18.209 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.643 -3.708 -18.770 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.370 -3.279 -16.716 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.258 -1.473 -18.024 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.581 -1.581 -14.952 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.051 0.226 -16.262 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.132 0.172 -14.720 1.00 0.00 H new ATOM 926 N GLY B 79 1.465 -1.509 -20.729 1.00 0.00 N ATOM 927 CA GLY B 79 1.906 -0.181 -21.114 1.00 0.00 C ATOM 928 C GLY B 79 1.001 0.452 -22.152 1.00 0.00 C ATOM 929 O GLY B 79 0.499 1.559 -21.956 1.00 0.00 O ATOM 0 H GLY B 79 2.159 -2.245 -20.859 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.942 0.457 -20.231 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.921 -0.238 -21.508 1.00 0.00 H new ATOM 933 N VAL B 80 0.791 -0.251 -23.260 1.00 0.00 N ATOM 934 CA VAL B 80 -0.060 0.249 -24.333 1.00 0.00 C ATOM 935 C VAL B 80 -1.491 0.455 -23.850 1.00 0.00 C ATOM 936 O VAL B 80 -2.179 1.375 -24.290 1.00 0.00 O ATOM 937 CB VAL B 80 -0.069 -0.712 -25.536 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.910 -0.143 -26.669 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.351 -0.994 -26.005 1.00 0.00 C ATOM 0 H VAL B 80 1.199 -1.169 -23.438 1.00 0.00 H new ATOM 0 HA VAL B 80 0.356 1.207 -24.646 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.517 -1.655 -25.221 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.904 -0.836 -27.510 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.934 0.001 -26.325 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.495 0.814 -26.985 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.325 -1.675 -26.856 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.828 -0.060 -26.302 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.919 -1.449 -25.193 1.00 0.00 H new ATOM 949 N MET B 81 -1.932 -0.408 -22.940 1.00 0.00 N ATOM 950 CA MET B 81 -3.281 -0.319 -22.394 1.00 0.00 C ATOM 951 C MET B 81 -3.459 0.964 -21.589 1.00 0.00 C ATOM 952 O MET B 81 -4.454 1.672 -21.743 1.00 0.00 O ATOM 953 CB MET B 81 -3.579 -1.534 -21.513 1.00 0.00 C ATOM 954 CG MET B 81 -3.913 -2.790 -22.302 1.00 0.00 C ATOM 955 SD MET B 81 -4.109 -4.240 -21.248 1.00 0.00 S ATOM 956 CE MET B 81 -5.830 -4.641 -21.542 1.00 0.00 C ATOM 0 H MET B 81 -1.375 -1.176 -22.566 1.00 0.00 H new ATOM 0 HA MET B 81 -3.983 -0.303 -23.228 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.716 -1.733 -20.878 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.413 -1.297 -20.852 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.832 -2.627 -22.864 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.123 -2.978 -23.029 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.104 -5.520 -20.958 1.00 0.00 H new ATOM 0 HE2 MET B 81 -6.456 -3.799 -21.246 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.979 -4.849 -22.602 1.00 0.00 H new ATOM 966 N ALA B 82 -2.488 1.257 -20.730 1.00 0.00 N ATOM 967 CA ALA B 82 -2.537 2.456 -19.902 1.00 0.00 C ATOM 968 C ALA B 82 -2.443 3.717 -20.755 1.00 0.00 C ATOM 969 O ALA B 82 -3.192 4.671 -20.554 1.00 0.00 O ATOM 970 CB ALA B 82 -1.420 2.430 -18.869 1.00 0.00 C ATOM 0 H ALA B 82 -1.658 0.681 -20.589 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.496 2.471 -19.384 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.469 3.331 -18.258 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.534 1.553 -18.232 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.456 2.387 -19.376 1.00 0.00 H new ATOM 976 N GLY B 83 -1.515 3.713 -21.708 1.00 0.00 N ATOM 977 CA GLY B 83 -1.339 4.862 -22.576 1.00 0.00 C ATOM 978 C GLY B 83 -2.565 5.142 -23.423 1.00 0.00 C ATOM 979 O GLY B 83 -3.070 6.264 -23.446 1.00 0.00 O ATOM 0 H GLY B 83 -0.883 2.935 -21.894 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.111 5.739 -21.971 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.482 4.693 -23.228 1.00 0.00 H new ATOM 983 N VAL B 84 -3.044 4.119 -24.124 1.00 0.00 N ATOM 984 CA VAL B 84 -4.218 4.260 -24.977 1.00 0.00 C ATOM 985 C VAL B 84 -5.393 4.846 -24.203 1.00 0.00 C ATOM 986 O VAL B 84 -5.932 5.891 -24.570 1.00 0.00 O ATOM 987 CB VAL B 84 -4.639 2.907 -25.580 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.002 3.020 -26.248 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.592 2.415 -26.568 1.00 0.00 C ATOM 0 H VAL B 84 -2.637 3.184 -24.118 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.943 4.940 -25.784 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.716 2.178 -24.773 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.282 2.054 -26.668 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.745 3.324 -25.510 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.956 3.763 -27.045 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.906 1.458 -26.984 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.481 3.142 -27.373 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.638 2.292 -26.056 1.00 0.00 H new ATOM 999 N ILE B 85 -5.785 4.168 -23.130 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.896 4.623 -22.303 1.00 0.00 C ATOM 1001 C ILE B 85 -6.667 6.048 -21.811 1.00 0.00 C ATOM 1002 O ILE B 85 -7.587 6.865 -21.793 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.107 3.701 -21.087 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.452 2.284 -21.549 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.204 4.253 -20.188 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.774 2.190 -22.279 1.00 0.00 C ATOM 0 H ILE B 85 -5.350 3.302 -22.813 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.788 4.595 -22.929 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.181 3.661 -20.514 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.659 1.921 -22.203 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.478 1.624 -20.682 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.342 3.591 -19.333 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.921 5.245 -19.836 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.136 4.319 -20.750 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.953 1.157 -22.577 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.577 2.522 -21.621 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.746 2.823 -23.166 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.432 6.341 -21.415 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.104 7.669 -20.930 1.00 0.00 C ATOM 1020 C GLY B 86 -5.391 8.748 -21.955 1.00 0.00 C ATOM 1021 O GLY B 86 -6.073 9.730 -21.660 1.00 0.00 O ATOM 0 H GLY B 86 -4.653 5.683 -21.421 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.674 7.872 -20.024 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.049 7.703 -20.657 1.00 0.00 H new ATOM 1025 N THR B 87 -4.869 8.567 -23.164 1.00 0.00 N ATOM 1026 CA THR B 87 -5.071 9.534 -24.236 1.00 0.00 C ATOM 1027 C THR B 87 -6.555 9.755 -24.505 1.00 0.00 C ATOM 1028 O THR B 87 -7.007 10.891 -24.650 1.00 0.00 O ATOM 1029 CB THR B 87 -4.387 9.080 -25.539 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.115 8.490 -25.245 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.200 10.253 -26.489 1.00 0.00 C ATOM 0 H THR B 87 -4.303 7.760 -23.425 1.00 0.00 H new ATOM 0 HA THR B 87 -4.621 10.470 -23.905 1.00 0.00 H new ATOM 0 HB THR B 87 -5.027 8.341 -26.021 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.699 8.966 -24.496 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.715 9.908 -27.402 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.172 10.681 -26.734 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.579 11.012 -26.013 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.309 8.663 -24.571 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.743 8.738 -24.821 1.00 0.00 C ATOM 1041 C ILE B 88 -9.426 9.668 -23.824 1.00 0.00 C ATOM 1042 O ILE B 88 -10.168 10.572 -24.210 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.401 7.348 -24.744 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.775 6.405 -25.774 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.902 7.460 -24.966 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.942 4.941 -25.433 1.00 0.00 C ATOM 0 H ILE B 88 -6.950 7.715 -24.455 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.868 9.134 -25.829 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.229 6.936 -23.750 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.223 6.596 -26.749 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.712 6.630 -25.862 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.353 6.469 -24.909 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.336 8.101 -24.199 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.093 7.889 -25.949 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.474 4.332 -26.206 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.469 4.735 -24.473 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.003 4.700 -25.374 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.171 9.441 -22.540 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.760 10.259 -21.486 1.00 0.00 C ATOM 1060 C LEU B 89 -9.425 11.733 -21.691 1.00 0.00 C ATOM 1061 O LEU B 89 -10.315 12.585 -21.720 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.262 9.797 -20.116 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.878 8.504 -19.579 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.023 7.930 -18.460 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.298 8.752 -19.094 1.00 0.00 C ATOM 0 H LEU B 89 -8.560 8.697 -22.204 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.843 10.141 -21.530 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.181 9.666 -20.170 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.451 10.593 -19.396 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.914 7.777 -20.390 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.477 7.010 -18.090 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.024 7.715 -18.839 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.954 8.653 -17.647 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.721 7.821 -18.715 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.286 9.496 -18.297 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.907 9.117 -19.921 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.138 12.028 -21.834 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.685 13.400 -22.038 1.00 0.00 C ATOM 1079 C LEU B 90 -8.342 14.012 -23.272 1.00 0.00 C ATOM 1080 O LEU B 90 -8.910 15.102 -23.208 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.163 13.439 -22.185 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.361 12.932 -20.986 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.036 12.339 -21.443 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.128 14.055 -19.986 1.00 0.00 C ATOM 0 H LEU B 90 -7.389 11.336 -21.813 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.975 13.986 -21.166 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.887 12.848 -23.058 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.864 14.467 -22.389 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.936 12.148 -20.493 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.478 11.983 -20.577 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.224 11.506 -22.120 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.455 13.102 -21.960 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.556 13.675 -19.139 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.574 14.861 -20.467 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.088 14.434 -19.634 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.262 13.302 -24.392 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.851 13.774 -25.639 1.00 0.00 C ATOM 1098 C ILE B 91 -10.334 14.084 -25.463 1.00 0.00 C ATOM 1099 O ILE B 91 -10.805 15.154 -25.849 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.685 12.739 -26.767 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.216 12.633 -27.180 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.550 13.114 -27.961 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.671 13.898 -27.807 1.00 0.00 C ATOM 0 H ILE B 91 -7.795 12.398 -24.462 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.321 14.686 -25.913 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.010 11.766 -26.398 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.618 12.385 -26.303 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.104 11.810 -27.886 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.422 12.373 -28.750 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.596 13.143 -27.657 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.252 14.095 -28.332 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.625 13.750 -28.075 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.245 14.136 -28.703 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.751 14.720 -27.096 1.00 0.00 H new ATOM 1115 N SER B 92 -11.065 13.142 -24.877 1.00 0.00 N ATOM 1116 CA SER B 92 -12.495 13.313 -24.651 1.00 0.00 C ATOM 1117 C SER B 92 -12.772 14.592 -23.866 1.00 0.00 C ATOM 1118 O SER B 92 -13.830 15.205 -24.009 1.00 0.00 O ATOM 1119 CB SER B 92 -13.063 12.108 -23.899 1.00 0.00 C ATOM 1120 OG SER B 92 -13.510 11.110 -24.800 1.00 0.00 O ATOM 0 H SER B 92 -10.690 12.252 -24.550 1.00 0.00 H new ATOM 0 HA SER B 92 -12.984 13.389 -25.622 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.300 11.693 -23.241 1.00 0.00 H new ATOM 0 HB3 SER B 92 -13.890 12.428 -23.265 1.00 0.00 H new ATOM 0 HG SER B 92 -13.867 10.350 -24.295 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.813 14.989 -23.038 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.952 16.194 -22.228 1.00 0.00 C ATOM 1128 C TYR B 93 -11.824 17.447 -23.088 1.00 0.00 C ATOM 1129 O TYR B 93 -12.505 18.445 -22.858 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.899 16.213 -21.119 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.170 17.241 -20.044 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.395 17.285 -19.389 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.201 18.169 -19.682 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.647 18.223 -18.407 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.444 19.109 -18.700 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.668 19.133 -18.066 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.915 20.068 -17.087 1.00 0.00 O ATOM 0 H TYR B 93 -10.930 14.494 -22.910 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.944 16.185 -21.777 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.848 15.225 -20.661 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.922 16.410 -21.560 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.163 16.573 -19.652 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.241 18.155 -20.177 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.605 18.244 -17.909 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -9.679 19.822 -18.430 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.123 20.632 -16.966 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.943 17.386 -24.083 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.740 18.521 -24.964 1.00 0.00 C ATOM 1149 C GLY B 94 -11.970 18.840 -25.792 1.00 0.00 C ATOM 1150 O GLY B 94 -12.280 20.007 -26.030 1.00 0.00 O ATOM 0 H GLY B 94 -10.367 16.571 -24.294 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.469 19.394 -24.370 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.901 18.315 -25.629 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.670 17.800 -26.233 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.871 17.975 -27.039 1.00 0.00 C ATOM 1156 C ILE B 95 -14.977 18.653 -26.237 1.00 0.00 C ATOM 1157 O ILE B 95 -15.788 19.399 -26.786 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.392 16.628 -27.574 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.321 15.945 -28.427 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.667 16.835 -28.378 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.581 14.473 -28.657 1.00 0.00 C ATOM 0 H ILE B 95 -12.426 16.828 -26.045 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.596 18.609 -27.882 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.622 15.981 -26.727 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.259 16.450 -29.391 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.352 16.063 -27.942 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.023 15.874 -28.749 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.430 17.283 -27.741 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.463 17.496 -29.220 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.782 14.054 -29.269 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.614 13.955 -27.698 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.535 14.348 -29.170 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.003 18.390 -24.935 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.009 18.975 -24.057 1.00 0.00 C ATOM 1175 C ARG B 96 -15.707 20.447 -23.789 1.00 0.00 C ATOM 1176 O ARG B 96 -16.615 21.278 -23.741 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.070 18.208 -22.734 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.384 17.474 -22.517 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.360 18.309 -21.703 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.741 18.109 -22.133 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.276 18.709 -23.192 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -19.548 19.541 -23.924 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.540 18.476 -23.519 1.00 0.00 N ATOM 0 H ARG B 96 -14.339 17.775 -24.465 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.976 18.904 -24.556 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.252 17.488 -22.703 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.913 18.906 -21.911 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.829 17.229 -23.481 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.195 16.531 -22.005 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.267 18.050 -20.648 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.100 19.364 -21.796 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.327 17.474 -21.591 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -18.575 19.722 -23.675 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -19.960 20.000 -24.736 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -22.102 17.836 -22.958 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.950 18.937 -24.332 1.00 0.00 H new