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= -2.92! USER MOD Single : B 92 SER OG : rot -59:sc= 1.33 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N ILE A 73 12.248 -1.292 -18.335 1.00 0.00 N ATOM 197 CA ILE A 73 11.853 0.111 -18.357 1.00 0.00 C ATOM 198 C ILE A 73 11.490 0.558 -19.770 1.00 0.00 C ATOM 199 O ILE A 73 10.344 0.915 -20.045 1.00 0.00 O ATOM 200 CB ILE A 73 12.972 1.019 -17.815 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.426 0.538 -16.436 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.496 2.463 -17.748 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.892 0.169 -16.377 1.00 0.00 C ATOM 0 HA ILE A 73 10.978 0.203 -17.713 1.00 0.00 H new ATOM 0 HB ILE A 73 13.823 0.968 -18.495 1.00 0.00 H new ATOM 0 HG12 ILE A 73 13.227 1.320 -15.704 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.830 -0.328 -16.148 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.298 3.093 -17.363 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.217 2.801 -18.746 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.632 2.531 -17.087 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.143 -0.163 -15.370 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.094 -0.635 -17.085 1.00 0.00 H new ATOM 0 HD13 ILE A 73 15.497 1.039 -16.634 1.00 0.00 H new ATOM 215 N THR A 74 12.474 0.534 -20.663 1.00 0.00 N ATOM 216 CA THR A 74 12.259 0.936 -22.047 1.00 0.00 C ATOM 217 C THR A 74 11.018 0.269 -22.627 1.00 0.00 C ATOM 218 O THR A 74 10.251 0.892 -23.362 1.00 0.00 O ATOM 219 CB THR A 74 13.474 0.588 -22.928 1.00 0.00 C ATOM 220 OG1 THR A 74 14.660 1.177 -22.383 1.00 0.00 O ATOM 221 CG2 THR A 74 13.267 1.078 -24.353 1.00 0.00 C ATOM 0 H THR A 74 13.428 0.240 -20.452 1.00 0.00 H new ATOM 0 HA THR A 74 12.119 2.017 -22.044 1.00 0.00 H new ATOM 0 HB THR A 74 13.583 -0.496 -22.946 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.428 0.949 -22.948 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.138 0.821 -24.956 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.380 0.605 -24.775 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.134 2.160 -24.350 1.00 0.00 H new ATOM 229 N LEU A 75 10.824 -1.002 -22.292 1.00 0.00 N ATOM 230 CA LEU A 75 9.673 -1.755 -22.780 1.00 0.00 C ATOM 231 C LEU A 75 8.368 -1.067 -22.392 1.00 0.00 C ATOM 232 O LEU A 75 7.517 -0.804 -23.242 1.00 0.00 O ATOM 233 CB LEU A 75 9.697 -3.179 -22.222 1.00 0.00 C ATOM 234 CG LEU A 75 10.689 -4.140 -22.878 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.572 -5.528 -22.267 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.461 -4.197 -24.382 1.00 0.00 C ATOM 0 H LEU A 75 11.448 -1.533 -21.685 1.00 0.00 H new ATOM 0 HA LEU A 75 9.731 -1.796 -23.868 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.923 -3.127 -21.157 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.697 -3.601 -22.316 1.00 0.00 H new ATOM 0 HG LEU A 75 11.698 -3.770 -22.697 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.286 -6.198 -22.747 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.785 -5.475 -21.199 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.561 -5.907 -22.417 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.176 -4.886 -24.833 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.447 -4.543 -24.583 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.597 -3.203 -24.808 1.00 0.00 H new ATOM 248 N ILE A 76 8.219 -0.776 -21.104 1.00 0.00 N ATOM 249 CA ILE A 76 7.020 -0.115 -20.605 1.00 0.00 C ATOM 250 C ILE A 76 6.777 1.205 -21.329 1.00 0.00 C ATOM 251 O ILE A 76 5.654 1.502 -21.739 1.00 0.00 O ATOM 252 CB ILE A 76 7.114 0.153 -19.091 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.193 -1.166 -18.321 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.921 0.975 -18.624 1.00 0.00 C ATOM 255 CD1 ILE A 76 5.997 -2.067 -18.541 1.00 0.00 C ATOM 0 H ILE A 76 8.914 -0.988 -20.388 1.00 0.00 H new ATOM 0 HA ILE A 76 6.186 -0.790 -20.796 1.00 0.00 H new ATOM 0 HB ILE A 76 8.023 0.722 -18.893 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.097 -1.697 -18.618 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.285 -0.951 -17.256 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.001 1.156 -17.552 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.906 1.928 -19.153 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.000 0.430 -18.832 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.121 -2.984 -17.965 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.091 -1.555 -18.217 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.916 -2.312 -19.600 1.00 0.00 H new ATOM 267 N ILE A 77 7.836 1.991 -21.485 1.00 0.00 N ATOM 268 CA ILE A 77 7.739 3.278 -22.163 1.00 0.00 C ATOM 269 C ILE A 77 7.296 3.104 -23.612 1.00 0.00 C ATOM 270 O ILE A 77 6.370 3.771 -24.074 1.00 0.00 O ATOM 271 CB ILE A 77 9.081 4.032 -22.135 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.470 4.372 -20.695 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.997 5.295 -22.980 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.592 5.431 -20.066 1.00 0.00 C ATOM 0 H ILE A 77 8.772 1.760 -21.151 1.00 0.00 H new ATOM 0 HA ILE A 77 6.993 3.862 -21.625 1.00 0.00 H new ATOM 0 HB ILE A 77 9.852 3.387 -22.557 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.422 3.466 -20.091 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.505 4.713 -20.678 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.953 5.817 -22.950 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.761 5.028 -24.010 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.216 5.945 -22.586 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.926 5.621 -19.046 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.658 6.351 -20.647 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.558 5.085 -20.051 1.00 0.00 H new ATOM 286 N PHE A 78 7.963 2.201 -24.324 1.00 0.00 N ATOM 287 CA PHE A 78 7.638 1.938 -25.721 1.00 0.00 C ATOM 288 C PHE A 78 6.162 1.580 -25.878 1.00 0.00 C ATOM 289 O PHE A 78 5.475 2.106 -26.753 1.00 0.00 O ATOM 290 CB PHE A 78 8.509 0.803 -26.264 1.00 0.00 C ATOM 291 CG PHE A 78 8.087 0.320 -27.622 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.557 0.939 -28.769 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.219 -0.752 -27.751 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.170 0.497 -30.020 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.829 -1.199 -29.000 1.00 0.00 C ATOM 296 CZ PHE A 78 7.304 -0.573 -30.136 1.00 0.00 C ATOM 0 H PHE A 78 8.731 1.640 -23.957 1.00 0.00 H new ATOM 0 HA PHE A 78 7.837 2.845 -26.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.544 1.142 -26.313 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.480 -0.033 -25.565 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.234 1.777 -28.685 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.843 -1.244 -26.866 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.544 0.988 -30.906 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.153 -2.037 -29.087 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.999 -0.919 -31.113 1.00 0.00 H new ATOM 306 N GLY A 79 5.683 0.682 -25.023 1.00 0.00 N ATOM 307 CA GLY A 79 4.293 0.269 -25.084 1.00 0.00 C ATOM 308 C GLY A 79 3.335 1.437 -24.962 1.00 0.00 C ATOM 309 O GLY A 79 2.465 1.627 -25.812 1.00 0.00 O ATOM 0 H GLY A 79 6.232 0.233 -24.290 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.112 -0.248 -26.026 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.094 -0.445 -24.285 1.00 0.00 H new ATOM 313 N VAL A 80 3.492 2.222 -23.901 1.00 0.00 N ATOM 314 CA VAL A 80 2.634 3.377 -23.670 1.00 0.00 C ATOM 315 C VAL A 80 2.782 4.404 -24.787 1.00 0.00 C ATOM 316 O VAL A 80 1.819 5.069 -25.164 1.00 0.00 O ATOM 317 CB VAL A 80 2.951 4.052 -22.322 1.00 0.00 C ATOM 318 CG1 VAL A 80 2.000 5.212 -22.069 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.881 3.038 -21.190 1.00 0.00 C ATOM 0 H VAL A 80 4.206 2.078 -23.187 1.00 0.00 H new ATOM 0 HA VAL A 80 1.608 3.010 -23.651 1.00 0.00 H new ATOM 0 HB VAL A 80 3.966 4.448 -22.363 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.239 5.677 -21.112 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.104 5.948 -22.866 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.974 4.844 -22.047 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.108 3.532 -20.245 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.879 2.611 -21.145 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.606 2.244 -21.368 1.00 0.00 H new ATOM 329 N MET A 81 3.997 4.527 -25.312 1.00 0.00 N ATOM 330 CA MET A 81 4.272 5.472 -26.389 1.00 0.00 C ATOM 331 C MET A 81 3.535 5.073 -27.663 1.00 0.00 C ATOM 332 O MET A 81 2.900 5.906 -28.310 1.00 0.00 O ATOM 333 CB MET A 81 5.776 5.549 -26.657 1.00 0.00 C ATOM 334 CG MET A 81 6.535 6.375 -25.632 1.00 0.00 C ATOM 335 SD MET A 81 7.356 7.805 -26.363 1.00 0.00 S ATOM 336 CE MET A 81 5.944 8.796 -26.845 1.00 0.00 C ATOM 0 H MET A 81 4.806 3.985 -25.010 1.00 0.00 H new ATOM 0 HA MET A 81 3.916 6.454 -26.078 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.186 4.539 -26.673 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.939 5.975 -27.647 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.844 6.713 -24.860 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.278 5.746 -25.142 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.289 9.717 -27.314 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.331 8.237 -27.552 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.351 9.038 -25.963 1.00 0.00 H new ATOM 346 N ALA A 82 3.625 3.796 -28.018 1.00 0.00 N ATOM 347 CA ALA A 82 2.965 3.287 -29.215 1.00 0.00 C ATOM 348 C ALA A 82 1.448 3.357 -29.077 1.00 0.00 C ATOM 349 O ALA A 82 0.752 3.800 -29.990 1.00 0.00 O ATOM 350 CB ALA A 82 3.406 1.858 -29.494 1.00 0.00 C ATOM 0 H ALA A 82 4.148 3.094 -27.494 1.00 0.00 H new ATOM 0 HA ALA A 82 3.257 3.916 -30.056 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.905 1.491 -30.390 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.485 1.833 -29.645 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.144 1.224 -28.647 1.00 0.00 H new ATOM 356 N GLY A 83 0.941 2.917 -27.929 1.00 0.00 N ATOM 357 CA GLY A 83 -0.490 2.938 -27.694 1.00 0.00 C ATOM 358 C GLY A 83 -1.066 4.339 -27.744 1.00 0.00 C ATOM 359 O GLY A 83 -2.042 4.593 -28.451 1.00 0.00 O ATOM 0 H GLY A 83 1.496 2.546 -27.158 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.987 2.318 -28.440 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.702 2.496 -26.720 1.00 0.00 H new ATOM 363 N VAL A 84 -0.462 5.253 -26.991 1.00 0.00 N ATOM 364 CA VAL A 84 -0.920 6.636 -26.952 1.00 0.00 C ATOM 365 C VAL A 84 -1.000 7.229 -28.354 1.00 0.00 C ATOM 366 O VAL A 84 -2.056 7.693 -28.784 1.00 0.00 O ATOM 367 CB VAL A 84 0.008 7.511 -26.088 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.308 8.985 -26.290 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.111 7.127 -24.621 1.00 0.00 C ATOM 0 H VAL A 84 0.346 5.060 -26.399 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.915 6.627 -26.508 1.00 0.00 H new ATOM 0 HB VAL A 84 1.038 7.339 -26.402 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.357 9.588 -25.672 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.166 9.247 -27.338 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.342 9.178 -26.005 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.551 7.755 -24.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.140 7.269 -24.290 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.170 6.081 -24.495 1.00 0.00 H new ATOM 816 N ILE B 73 5.665 -9.899 -22.381 1.00 0.00 N ATOM 817 CA ILE B 73 4.452 -9.560 -23.115 1.00 0.00 C ATOM 818 C ILE B 73 3.487 -8.763 -22.242 1.00 0.00 C ATOM 819 O ILE B 73 3.022 -7.691 -22.630 1.00 0.00 O ATOM 820 CB ILE B 73 3.736 -10.821 -23.633 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.663 -11.620 -24.551 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.457 -10.441 -24.364 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.255 -13.067 -24.711 1.00 0.00 C ATOM 0 HA ILE B 73 4.757 -8.951 -23.966 1.00 0.00 H new ATOM 0 HB ILE B 73 3.472 -11.447 -22.781 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.685 -11.147 -25.533 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.677 -11.579 -24.154 1.00 0.00 H new ATOM 0 HG21 ILE B 73 1.962 -11.343 -24.724 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.792 -9.910 -23.682 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.699 -9.797 -25.210 1.00 0.00 H new ATOM 0 HD11 ILE B 73 4.957 -13.572 -25.375 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.261 -13.556 -23.737 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.253 -13.118 -25.137 1.00 0.00 H new ATOM 835 N THR B 74 3.190 -9.295 -21.060 1.00 0.00 N ATOM 836 CA THR B 74 2.282 -8.634 -20.132 1.00 0.00 C ATOM 837 C THR B 74 2.640 -7.161 -19.967 1.00 0.00 C ATOM 838 O THR B 74 1.781 -6.286 -20.084 1.00 0.00 O ATOM 839 CB THR B 74 2.300 -9.313 -18.749 1.00 0.00 C ATOM 840 OG1 THR B 74 1.954 -10.696 -18.878 1.00 0.00 O ATOM 841 CG2 THR B 74 1.330 -8.629 -17.798 1.00 0.00 C ATOM 0 H THR B 74 3.565 -10.182 -20.723 1.00 0.00 H new ATOM 0 HA THR B 74 1.281 -8.716 -20.556 1.00 0.00 H new ATOM 0 HB THR B 74 3.307 -9.227 -18.340 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.969 -11.121 -17.995 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.360 -9.126 -16.828 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.613 -7.583 -17.679 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.320 -8.687 -18.204 1.00 0.00 H new ATOM 849 N LEU B 75 3.912 -6.893 -19.695 1.00 0.00 N ATOM 850 CA LEU B 75 4.384 -5.525 -19.515 1.00 0.00 C ATOM 851 C LEU B 75 4.055 -4.670 -20.735 1.00 0.00 C ATOM 852 O LEU B 75 3.499 -3.579 -20.608 1.00 0.00 O ATOM 853 CB LEU B 75 5.893 -5.514 -19.262 1.00 0.00 C ATOM 854 CG LEU B 75 6.349 -6.048 -17.904 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.865 -5.996 -17.793 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.702 -5.259 -16.775 1.00 0.00 C ATOM 0 H LEU B 75 4.635 -7.605 -19.594 1.00 0.00 H new ATOM 0 HA LEU B 75 3.874 -5.102 -18.650 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.376 -6.102 -20.042 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.251 -4.490 -19.366 1.00 0.00 H new ATOM 0 HG LEU B 75 6.034 -7.088 -17.819 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.172 -6.380 -16.820 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.309 -6.606 -18.580 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.202 -4.965 -17.899 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.038 -5.653 -15.816 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.986 -4.210 -16.855 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.618 -5.348 -16.844 1.00 0.00 H new ATOM 868 N ILE B 76 4.401 -5.174 -21.914 1.00 0.00 N ATOM 869 CA ILE B 76 4.139 -4.458 -23.157 1.00 0.00 C ATOM 870 C ILE B 76 2.658 -4.126 -23.298 1.00 0.00 C ATOM 871 O ILE B 76 2.295 -3.005 -23.658 1.00 0.00 O ATOM 872 CB ILE B 76 4.590 -5.274 -24.383 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.064 -5.662 -24.250 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.358 -4.483 -25.661 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.989 -4.476 -24.086 1.00 0.00 C ATOM 0 H ILE B 76 4.863 -6.075 -22.035 1.00 0.00 H new ATOM 0 HA ILE B 76 4.714 -3.533 -23.115 1.00 0.00 H new ATOM 0 HB ILE B 76 3.996 -6.187 -24.432 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.181 -6.325 -23.393 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.364 -6.227 -25.133 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.682 -5.073 -26.518 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.297 -4.253 -25.759 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.929 -3.555 -25.623 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.017 -4.826 -23.998 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.901 -3.823 -24.955 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.716 -3.923 -23.187 1.00 0.00 H new ATOM 887 N ILE B 77 1.807 -5.105 -23.011 1.00 0.00 N ATOM 888 CA ILE B 77 0.365 -4.915 -23.104 1.00 0.00 C ATOM 889 C ILE B 77 -0.116 -3.863 -22.110 1.00 0.00 C ATOM 890 O ILE B 77 -0.839 -2.936 -22.473 1.00 0.00 O ATOM 891 CB ILE B 77 -0.393 -6.231 -22.848 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.004 -7.281 -23.891 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.895 -5.989 -22.867 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.792 -8.567 -23.778 1.00 0.00 C ATOM 0 H ILE B 77 2.091 -6.038 -22.712 1.00 0.00 H new ATOM 0 HA ILE B 77 0.156 -4.576 -24.118 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.117 -6.606 -21.862 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.148 -6.863 -24.887 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.058 -7.505 -23.790 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.417 -6.928 -22.685 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.158 -5.271 -22.090 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.188 -5.594 -23.840 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.463 -9.264 -24.548 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.628 -9.009 -22.795 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.853 -8.356 -23.909 1.00 0.00 H new ATOM 906 N PHE B 78 0.293 -4.013 -20.854 1.00 0.00 N ATOM 907 CA PHE B 78 -0.095 -3.075 -19.807 1.00 0.00 C ATOM 908 C PHE B 78 0.263 -1.644 -20.199 1.00 0.00 C ATOM 909 O PHE B 78 -0.550 -0.731 -20.065 1.00 0.00 O ATOM 910 CB PHE B 78 0.587 -3.441 -18.487 1.00 0.00 C ATOM 911 CG PHE B 78 0.483 -2.368 -17.442 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.594 -2.333 -16.570 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.462 -1.394 -17.329 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.692 -1.346 -15.608 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.370 -0.405 -16.368 1.00 0.00 C ATOM 916 CZ PHE B 78 0.291 -0.382 -15.506 1.00 0.00 C ATOM 0 H PHE B 78 0.893 -4.775 -20.537 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.176 -3.138 -19.679 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.143 -4.358 -18.100 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.639 -3.651 -18.677 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.365 -3.086 -16.643 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.308 -1.408 -18.000 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.537 -1.329 -14.936 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.140 0.348 -16.291 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.216 0.389 -14.753 1.00 0.00 H new ATOM 926 N GLY B 79 1.488 -1.458 -20.682 1.00 0.00 N ATOM 927 CA GLY B 79 1.933 -0.137 -21.085 1.00 0.00 C ATOM 928 C GLY B 79 1.035 0.482 -22.138 1.00 0.00 C ATOM 929 O GLY B 79 0.542 1.596 -21.966 1.00 0.00 O ATOM 0 H GLY B 79 2.180 -2.198 -20.801 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.965 0.514 -20.211 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.950 -0.202 -21.472 1.00 0.00 H new ATOM 933 N VAL B 80 0.824 -0.242 -23.232 1.00 0.00 N ATOM 934 CA VAL B 80 -0.020 0.243 -24.318 1.00 0.00 C ATOM 935 C VAL B 80 -1.456 0.449 -23.848 1.00 0.00 C ATOM 936 O VAL B 80 -2.143 1.364 -24.301 1.00 0.00 O ATOM 937 CB VAL B 80 -0.017 -0.733 -25.510 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.832 -0.169 -26.664 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.408 -1.033 -25.949 1.00 0.00 C ATOM 0 H VAL B 80 1.226 -1.166 -23.390 1.00 0.00 H new ATOM 0 HA VAL B 80 0.395 1.198 -24.639 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.479 -1.668 -25.193 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.818 -0.872 -27.497 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.860 -0.010 -26.340 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.402 0.780 -26.983 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.391 -1.724 -26.792 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.899 -0.107 -26.249 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.956 -1.483 -25.122 1.00 0.00 H new ATOM 949 N MET B 81 -1.902 -0.407 -22.935 1.00 0.00 N ATOM 950 CA MET B 81 -3.257 -0.317 -22.401 1.00 0.00 C ATOM 951 C MET B 81 -3.439 0.965 -21.595 1.00 0.00 C ATOM 952 O MET B 81 -4.429 1.678 -21.762 1.00 0.00 O ATOM 953 CB MET B 81 -3.564 -1.533 -21.524 1.00 0.00 C ATOM 954 CG MET B 81 -3.878 -2.791 -22.317 1.00 0.00 C ATOM 955 SD MET B 81 -5.622 -2.917 -22.757 1.00 0.00 S ATOM 956 CE MET B 81 -5.725 -4.637 -23.244 1.00 0.00 C ATOM 0 H MET B 81 -1.346 -1.170 -22.549 1.00 0.00 H new ATOM 0 HA MET B 81 -3.952 -0.299 -23.241 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.711 -1.727 -20.874 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.410 -1.300 -20.878 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.276 -2.803 -23.226 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.590 -3.665 -21.733 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.747 -4.870 -23.544 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.050 -4.819 -24.080 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.441 -5.271 -22.404 1.00 0.00 H new ATOM 966 N ALA B 82 -2.479 1.252 -20.722 1.00 0.00 N ATOM 967 CA ALA B 82 -2.534 2.449 -19.893 1.00 0.00 C ATOM 968 C ALA B 82 -2.421 3.711 -20.742 1.00 0.00 C ATOM 969 O ALA B 82 -3.181 4.662 -20.562 1.00 0.00 O ATOM 970 CB ALA B 82 -1.432 2.416 -18.844 1.00 0.00 C ATOM 0 H ALA B 82 -1.654 0.672 -20.571 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.500 2.467 -19.389 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.485 3.316 -18.232 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.559 1.538 -18.210 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.461 2.370 -19.337 1.00 0.00 H new ATOM 976 N GLY B 83 -1.467 3.713 -21.667 1.00 0.00 N ATOM 977 CA GLY B 83 -1.271 4.864 -22.529 1.00 0.00 C ATOM 978 C GLY B 83 -2.488 5.162 -23.383 1.00 0.00 C ATOM 979 O GLY B 83 -2.973 6.293 -23.412 1.00 0.00 O ATOM 0 H GLY B 83 -0.826 2.938 -21.835 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.037 5.736 -21.918 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.411 4.688 -23.176 1.00 0.00 H new ATOM 983 N VAL B 84 -2.983 4.145 -24.081 1.00 0.00 N ATOM 984 CA VAL B 84 -4.151 4.304 -24.940 1.00 0.00 C ATOM 985 C VAL B 84 -5.323 4.901 -24.169 1.00 0.00 C ATOM 986 O VAL B 84 -5.860 5.943 -24.547 1.00 0.00 O ATOM 987 CB VAL B 84 -4.585 2.958 -25.551 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.952 3.085 -26.205 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.549 2.469 -26.552 1.00 0.00 C ATOM 0 H VAL B 84 -2.594 3.202 -24.069 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.864 4.984 -25.742 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.659 2.222 -24.750 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.242 2.125 -26.631 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.686 3.387 -25.458 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.909 3.834 -26.995 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.872 1.517 -26.974 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.441 3.202 -27.351 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.591 2.337 -26.049 1.00 0.00 H new ATOM 999 N ILE B 85 -5.713 4.235 -23.088 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.821 4.702 -22.263 1.00 0.00 C ATOM 1001 C ILE B 85 -6.586 6.130 -21.784 1.00 0.00 C ATOM 1002 O ILE B 85 -7.499 6.955 -21.786 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.034 3.791 -21.040 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.301 2.353 -21.488 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.184 4.308 -20.188 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.107 1.332 -20.388 1.00 0.00 C ATOM 0 H ILE B 85 -5.279 3.371 -22.763 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.714 4.673 -22.888 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.127 3.801 -20.436 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.322 2.281 -21.863 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.638 2.111 -22.319 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.322 3.653 -19.327 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.957 5.317 -19.844 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.098 4.324 -20.782 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.313 0.335 -20.777 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.079 1.376 -20.028 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.789 1.549 -19.566 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.353 6.417 -21.377 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.019 7.747 -20.902 1.00 0.00 C ATOM 1020 C GLY B 86 -5.295 8.819 -21.939 1.00 0.00 C ATOM 1021 O GLY B 86 -5.973 9.807 -21.656 1.00 0.00 O ATOM 0 H GLY B 86 -4.580 5.752 -21.368 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.592 7.962 -20.000 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.965 7.777 -20.625 1.00 0.00 H new ATOM 1025 N THR B 87 -4.767 8.625 -23.143 1.00 0.00 N ATOM 1026 CA THR B 87 -4.957 9.583 -24.224 1.00 0.00 C ATOM 1027 C THR B 87 -6.439 9.814 -24.500 1.00 0.00 C ATOM 1028 O THR B 87 -6.877 10.952 -24.674 1.00 0.00 O ATOM 1029 CB THR B 87 -4.273 9.110 -25.521 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.030 8.469 -25.214 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.027 10.281 -26.461 1.00 0.00 C ATOM 0 H THR B 87 -4.204 7.812 -23.394 1.00 0.00 H new ATOM 0 HA THR B 87 -4.500 10.518 -23.901 1.00 0.00 H new ATOM 0 HB THR B 87 -4.935 8.400 -26.016 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.598 8.933 -24.466 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.543 9.923 -27.370 1.00 0.00 H new ATOM 0 HG22 THR B 87 -4.978 10.749 -26.716 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.383 11.012 -25.971 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.205 8.730 -24.537 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.638 8.816 -24.790 1.00 0.00 C ATOM 1041 C ILE B 88 -9.314 9.760 -23.801 1.00 0.00 C ATOM 1042 O ILE B 88 -10.050 10.666 -24.196 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.309 7.432 -24.702 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.690 6.475 -25.723 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.809 7.556 -24.926 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.846 5.016 -25.355 1.00 0.00 C ATOM 0 H ILE B 88 -6.858 7.781 -24.395 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.758 9.205 -25.801 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.142 7.026 -23.704 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.150 6.647 -26.696 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.629 6.704 -25.827 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.269 6.570 -24.861 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.238 8.208 -24.165 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -10.996 7.979 -25.913 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.384 4.396 -26.123 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.361 4.829 -24.397 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.905 4.771 -25.279 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.060 9.543 -22.516 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.642 10.376 -21.469 1.00 0.00 C ATOM 1060 C LEU B 89 -9.293 11.845 -21.685 1.00 0.00 C ATOM 1061 O LEU B 89 -10.175 12.705 -21.726 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.151 9.920 -20.094 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.781 8.639 -19.548 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.947 8.079 -18.406 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.209 8.899 -19.090 1.00 0.00 C ATOM 0 H LEU B 89 -8.455 8.797 -22.173 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.726 10.269 -21.514 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.072 9.777 -20.145 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.333 10.724 -19.380 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.807 7.900 -20.349 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.411 7.167 -18.030 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.943 7.854 -18.765 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.889 8.814 -17.603 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.641 7.976 -18.704 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.207 9.655 -18.304 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.803 9.253 -19.933 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.002 12.127 -21.825 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.536 13.492 -22.040 1.00 0.00 C ATOM 1079 C LEU B 90 -8.180 14.099 -23.282 1.00 0.00 C ATOM 1080 O LEU B 90 -8.718 15.205 -23.237 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.013 13.516 -22.177 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.224 12.924 -21.009 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.772 12.700 -21.404 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.314 13.831 -19.790 1.00 0.00 C ATOM 0 H LEU B 90 -7.260 11.428 -21.793 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.826 14.089 -21.175 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.741 12.975 -23.084 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.697 14.550 -22.316 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.662 11.959 -20.752 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.226 12.278 -20.560 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -3.726 12.010 -22.247 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.322 13.651 -21.689 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.747 13.394 -18.968 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.903 14.810 -20.034 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.357 13.939 -19.493 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.122 13.366 -24.389 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.703 13.831 -25.643 1.00 0.00 C ATOM 1098 C ILE B 91 -10.172 14.197 -25.466 1.00 0.00 C ATOM 1099 O ILE B 91 -10.613 15.262 -25.897 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.580 12.766 -26.749 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.110 12.528 -27.098 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.361 13.192 -27.983 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.843 11.163 -27.692 1.00 0.00 C ATOM 0 H ILE B 91 -7.679 12.449 -24.443 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.144 14.718 -25.940 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.002 11.831 -26.381 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.784 13.292 -27.804 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.507 12.648 -26.198 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.265 12.429 -28.756 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.413 13.315 -27.724 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -8.966 14.137 -28.355 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.781 11.065 -27.915 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.137 10.392 -26.980 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.418 11.047 -28.610 1.00 0.00 H new ATOM 1115 N SER B 92 -10.926 13.307 -24.828 1.00 0.00 N ATOM 1116 CA SER B 92 -12.347 13.535 -24.595 1.00 0.00 C ATOM 1117 C SER B 92 -12.573 14.858 -23.869 1.00 0.00 C ATOM 1118 O SER B 92 -13.612 15.498 -24.031 1.00 0.00 O ATOM 1119 CB SER B 92 -12.943 12.385 -23.782 1.00 0.00 C ATOM 1120 OG SER B 92 -12.805 12.619 -22.391 1.00 0.00 O ATOM 0 H SER B 92 -10.576 12.421 -24.463 1.00 0.00 H new ATOM 0 HA SER B 92 -12.846 13.582 -25.563 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.998 12.267 -24.031 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.447 11.452 -24.048 1.00 0.00 H new ATOM 0 HG SER B 92 -11.855 12.711 -22.167 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.593 15.261 -23.069 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.684 16.505 -22.315 1.00 0.00 C ATOM 1128 C TYR B 93 -11.539 17.712 -23.237 1.00 0.00 C ATOM 1129 O TYR B 93 -12.205 18.730 -23.055 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.609 16.548 -21.228 1.00 0.00 C ATOM 1131 CG TYR B 93 -10.859 17.599 -20.170 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -10.490 18.922 -20.377 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.464 17.269 -18.963 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -10.715 19.886 -19.413 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.695 18.226 -17.995 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.319 19.533 -18.224 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.545 20.489 -17.261 1.00 0.00 O ATOM 0 H TYR B 93 -10.726 14.744 -22.926 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.667 16.544 -21.846 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.549 15.570 -20.750 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.641 16.736 -21.693 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -10.019 19.202 -21.308 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -11.758 16.246 -18.779 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -10.420 20.910 -19.589 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -12.168 17.953 -17.063 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.979 20.076 -16.485 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.661 17.589 -24.228 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.443 18.676 -25.165 1.00 0.00 C ATOM 1149 C GLY B 94 -11.678 18.989 -25.987 1.00 0.00 C ATOM 1150 O GLY B 94 -11.950 20.151 -26.292 1.00 0.00 O ATOM 0 H GLY B 94 -10.097 16.756 -24.399 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.139 19.568 -24.617 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.622 18.417 -25.833 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.425 17.952 -26.349 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.636 18.122 -27.141 1.00 0.00 C ATOM 1156 C ILE B 95 -14.699 18.890 -26.362 1.00 0.00 C ATOM 1157 O ILE B 95 -15.493 19.632 -26.942 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.218 16.765 -27.580 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.195 15.994 -28.415 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.505 16.970 -28.364 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.529 14.527 -28.577 1.00 0.00 C ATOM 0 H ILE B 95 -12.212 16.984 -26.106 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.355 18.691 -28.027 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.448 16.179 -26.690 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.123 16.453 -29.401 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.214 16.086 -27.948 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.904 16.002 -28.667 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.235 17.483 -27.738 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.300 17.571 -29.250 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.761 14.043 -29.180 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.572 14.053 -27.596 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.495 14.426 -29.071 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.706 18.710 -25.046 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.670 19.386 -24.187 1.00 0.00 C ATOM 1175 C ARG B 96 -15.306 20.858 -24.014 1.00 0.00 C ATOM 1176 O ARG B 96 -16.178 21.727 -24.006 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.737 18.702 -22.820 1.00 0.00 C ATOM 1178 CG ARG B 96 -16.922 17.763 -22.666 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.024 17.223 -21.248 1.00 0.00 C ATOM 1180 NE ARG B 96 -16.014 16.203 -20.977 1.00 0.00 N ATOM 1181 CZ ARG B 96 -15.670 15.816 -19.754 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -16.251 16.361 -18.695 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -14.742 14.882 -19.589 1.00 0.00 N ATOM 0 H ARG B 96 -14.054 18.101 -24.551 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.648 19.325 -24.664 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -14.816 18.141 -22.658 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.786 19.465 -22.043 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.841 18.290 -22.923 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -16.824 16.933 -23.366 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.911 18.043 -20.539 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.017 16.801 -21.091 1.00 0.00 H new ATOM 0 HE ARG B 96 -15.547 15.764 -21.771 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -16.964 17.080 -18.818 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -15.985 16.062 -17.757 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -14.292 14.461 -20.402 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -14.478 14.585 -18.649 1.00 0.00 H new