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 180:sc= 0 (180deg=0) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 175:sc= 0 (180deg=-0.0292) USER MOD Single : B 87 THR OG1 : rot -37:sc= -2.07! 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 12.203 -1.247 -18.285 1.00 0.00 N ATOM 197 CA ILE A 73 11.814 0.157 -18.320 1.00 0.00 C ATOM 198 C ILE A 73 11.453 0.591 -19.737 1.00 0.00 C ATOM 199 O ILE A 73 10.310 0.956 -20.015 1.00 0.00 O ATOM 200 CB ILE A 73 12.937 1.066 -17.788 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.290 0.687 -16.348 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.520 2.527 -17.869 1.00 0.00 C ATOM 203 CD1 ILE A 73 12.160 0.917 -15.368 1.00 0.00 C ATOM 0 HA ILE A 73 10.940 0.259 -17.676 1.00 0.00 H new ATOM 0 HB ILE A 73 13.822 0.926 -18.409 1.00 0.00 H new ATOM 0 HG12 ILE A 73 13.578 -0.364 -16.318 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.158 1.265 -16.031 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.325 3.157 -17.489 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.313 2.789 -18.907 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.623 2.683 -17.269 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.481 0.627 -14.368 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.886 1.972 -15.369 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.297 0.318 -15.660 1.00 0.00 H new ATOM 215 N THR A 74 12.435 0.548 -20.632 1.00 0.00 N ATOM 216 CA THR A 74 12.221 0.937 -22.020 1.00 0.00 C ATOM 217 C THR A 74 10.977 0.268 -22.593 1.00 0.00 C ATOM 218 O THR A 74 10.216 0.885 -23.340 1.00 0.00 O ATOM 219 CB THR A 74 13.434 0.575 -22.898 1.00 0.00 C ATOM 220 OG1 THR A 74 14.620 1.178 -22.368 1.00 0.00 O ATOM 221 CG2 THR A 74 13.222 1.036 -24.332 1.00 0.00 C ATOM 0 H THR A 74 13.386 0.248 -20.420 1.00 0.00 H new ATOM 0 HA THR A 74 12.085 2.018 -22.028 1.00 0.00 H new ATOM 0 HB THR A 74 13.546 -0.509 -22.895 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.387 0.942 -22.931 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.092 0.769 -24.932 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.336 0.552 -24.742 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.087 2.117 -24.350 1.00 0.00 H new ATOM 229 N LEU A 75 10.774 -0.996 -22.239 1.00 0.00 N ATOM 230 CA LEU A 75 9.620 -1.749 -22.717 1.00 0.00 C ATOM 231 C LEU A 75 8.318 -1.049 -22.341 1.00 0.00 C ATOM 232 O LEU A 75 7.475 -0.783 -23.197 1.00 0.00 O ATOM 233 CB LEU A 75 9.635 -3.166 -22.140 1.00 0.00 C ATOM 234 CG LEU A 75 10.604 -4.148 -22.798 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.491 -5.522 -22.155 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.341 -4.235 -24.295 1.00 0.00 C ATOM 0 H LEU A 75 11.394 -1.521 -21.622 1.00 0.00 H new ATOM 0 HA LEU A 75 9.680 -1.805 -23.804 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.878 -3.102 -21.079 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.628 -3.577 -22.212 1.00 0.00 H new ATOM 0 HG LEU A 75 11.620 -3.782 -22.648 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.188 -6.208 -22.637 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.729 -5.448 -21.094 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.474 -5.896 -22.273 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.040 -4.939 -24.747 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.320 -4.577 -24.466 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.474 -3.251 -24.746 1.00 0.00 H new ATOM 248 N ILE A 76 8.164 -0.750 -21.055 1.00 0.00 N ATOM 249 CA ILE A 76 6.967 -0.078 -20.566 1.00 0.00 C ATOM 250 C ILE A 76 6.737 1.238 -21.302 1.00 0.00 C ATOM 251 O ILE A 76 5.615 1.548 -21.706 1.00 0.00 O ATOM 252 CB ILE A 76 7.055 0.201 -19.054 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.138 -1.113 -18.275 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.858 1.020 -18.596 1.00 0.00 C ATOM 255 CD1 ILE A 76 5.957 -2.029 -18.508 1.00 0.00 C ATOM 0 H ILE A 76 8.853 -0.963 -20.334 1.00 0.00 H new ATOM 0 HA ILE A 76 6.129 -0.749 -20.754 1.00 0.00 H new ATOM 0 HB ILE A 76 7.960 0.776 -18.858 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.053 -1.635 -18.555 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.211 -0.891 -17.210 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.935 1.209 -17.525 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.840 1.969 -19.132 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.940 0.470 -18.802 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.083 -2.941 -17.924 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.040 -1.526 -18.201 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.896 -2.281 -19.567 1.00 0.00 H new ATOM 267 N ILE A 77 7.806 2.008 -21.474 1.00 0.00 N ATOM 268 CA ILE A 77 7.721 3.289 -22.164 1.00 0.00 C ATOM 269 C ILE A 77 7.289 3.105 -23.615 1.00 0.00 C ATOM 270 O ILE A 77 6.372 3.775 -24.090 1.00 0.00 O ATOM 271 CB ILE A 77 9.067 4.036 -22.132 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.449 4.383 -20.691 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.996 5.295 -22.984 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.576 5.454 -20.076 1.00 0.00 C ATOM 0 H ILE A 77 8.741 1.767 -21.145 1.00 0.00 H new ATOM 0 HA ILE A 77 6.973 3.882 -21.637 1.00 0.00 H new ATOM 0 HB ILE A 77 9.836 3.384 -22.546 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.389 3.482 -20.081 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.487 4.715 -20.669 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.955 5.811 -22.951 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.765 5.025 -24.014 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.217 5.952 -22.598 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.904 5.649 -19.055 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.655 6.369 -20.663 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.539 5.117 -20.066 1.00 0.00 H new ATOM 286 N PHE A 78 7.955 2.191 -24.313 1.00 0.00 N ATOM 287 CA PHE A 78 7.640 1.918 -25.710 1.00 0.00 C ATOM 288 C PHE A 78 6.165 1.563 -25.875 1.00 0.00 C ATOM 289 O PHE A 78 5.482 2.095 -26.750 1.00 0.00 O ATOM 290 CB PHE A 78 8.512 0.777 -26.238 1.00 0.00 C ATOM 291 CG PHE A 78 8.118 0.305 -27.608 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.594 0.948 -28.740 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.272 -0.780 -27.765 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.234 0.517 -30.003 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.909 -1.216 -29.025 1.00 0.00 C ATOM 296 CZ PHE A 78 7.389 -0.566 -30.145 1.00 0.00 C ATOM 0 H PHE A 78 8.716 1.627 -23.934 1.00 0.00 H new ATOM 0 HA PHE A 78 7.846 2.820 -26.286 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.551 1.105 -26.261 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.458 -0.062 -25.544 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.254 1.796 -28.634 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.892 -1.291 -26.893 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.613 1.026 -30.877 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.250 -2.065 -29.134 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.104 -0.904 -31.130 1.00 0.00 H new ATOM 306 N GLY A 79 5.680 0.660 -25.028 1.00 0.00 N ATOM 307 CA GLY A 79 4.290 0.249 -25.097 1.00 0.00 C ATOM 308 C GLY A 79 3.334 1.419 -24.987 1.00 0.00 C ATOM 309 O GLY A 79 2.470 1.608 -25.844 1.00 0.00 O ATOM 0 H GLY A 79 6.225 0.206 -24.295 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.115 -0.272 -26.038 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.084 -0.461 -24.296 1.00 0.00 H new ATOM 313 N VAL A 80 3.485 2.208 -23.927 1.00 0.00 N ATOM 314 CA VAL A 80 2.626 3.366 -23.707 1.00 0.00 C ATOM 315 C VAL A 80 2.784 4.388 -24.827 1.00 0.00 C ATOM 316 O VAL A 80 1.825 5.056 -25.212 1.00 0.00 O ATOM 317 CB VAL A 80 2.935 4.045 -22.360 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.985 5.208 -22.118 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.856 3.036 -21.224 1.00 0.00 C ATOM 0 H VAL A 80 4.194 2.066 -23.208 1.00 0.00 H new ATOM 0 HA VAL A 80 1.599 3.001 -23.695 1.00 0.00 H new ATOM 0 HB VAL A 80 3.951 4.438 -22.396 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.219 5.676 -21.161 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.096 5.941 -22.917 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.958 4.842 -22.102 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.077 3.533 -20.280 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.853 2.611 -21.184 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.581 2.240 -21.393 1.00 0.00 H new ATOM 329 N MET A 81 4.002 4.503 -25.348 1.00 0.00 N ATOM 330 CA MET A 81 4.285 5.443 -26.426 1.00 0.00 C ATOM 331 C MET A 81 3.547 5.047 -27.701 1.00 0.00 C ATOM 332 O MET A 81 2.919 5.882 -28.351 1.00 0.00 O ATOM 333 CB MET A 81 5.790 5.507 -26.694 1.00 0.00 C ATOM 334 CG MET A 81 6.555 6.331 -25.670 1.00 0.00 C ATOM 335 SD MET A 81 6.598 8.085 -26.083 1.00 0.00 S ATOM 336 CE MET A 81 5.609 8.770 -24.755 1.00 0.00 C ATOM 0 H MET A 81 4.807 3.957 -25.041 1.00 0.00 H new ATOM 0 HA MET A 81 3.936 6.428 -26.116 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.192 4.494 -26.707 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.957 5.928 -27.685 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.095 6.204 -24.690 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.575 5.954 -25.595 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.542 9.852 -24.872 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.608 8.339 -24.787 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.074 8.536 -23.797 1.00 0.00 H new ATOM 346 N ALA A 82 3.628 3.768 -28.053 1.00 0.00 N ATOM 347 CA ALA A 82 2.966 3.261 -29.249 1.00 0.00 C ATOM 348 C ALA A 82 1.449 3.340 -29.112 1.00 0.00 C ATOM 349 O ALA A 82 0.755 3.774 -30.029 1.00 0.00 O ATOM 350 CB ALA A 82 3.399 1.829 -29.525 1.00 0.00 C ATOM 0 H ALA A 82 4.146 3.064 -27.527 1.00 0.00 H new ATOM 0 HA ALA A 82 3.262 3.887 -30.091 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.897 1.463 -30.421 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.478 1.798 -29.676 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.133 1.198 -28.677 1.00 0.00 H new ATOM 356 N GLY A 83 0.941 2.915 -27.959 1.00 0.00 N ATOM 357 CA GLY A 83 -0.491 2.945 -27.723 1.00 0.00 C ATOM 358 C GLY A 83 -1.057 4.350 -27.769 1.00 0.00 C ATOM 359 O GLY A 83 -2.031 4.613 -28.474 1.00 0.00 O ATOM 0 H GLY A 83 1.495 2.551 -27.184 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.992 2.330 -28.471 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.705 2.502 -26.750 1.00 0.00 H new ATOM 363 N VAL A 84 -0.445 5.258 -27.014 1.00 0.00 N ATOM 364 CA VAL A 84 -0.894 6.644 -26.971 1.00 0.00 C ATOM 365 C VAL A 84 -0.972 7.241 -28.372 1.00 0.00 C ATOM 366 O VAL A 84 -2.030 7.699 -28.804 1.00 0.00 O ATOM 367 CB VAL A 84 0.042 7.511 -26.108 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.265 8.988 -26.304 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.077 7.124 -24.641 1.00 0.00 C ATOM 0 H VAL A 84 0.363 5.058 -26.424 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.888 6.640 -26.525 1.00 0.00 H new ATOM 0 HB VAL A 84 1.069 7.333 -26.426 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.406 9.584 -25.686 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.125 9.253 -27.352 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.297 9.187 -26.014 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.591 7.746 -24.045 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.104 7.272 -24.308 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.197 6.076 -24.518 1.00 0.00 H new ATOM 816 N ILE B 73 5.906 -9.851 -22.243 1.00 0.00 N ATOM 817 CA ILE B 73 4.702 -9.607 -23.027 1.00 0.00 C ATOM 818 C ILE B 73 3.680 -8.804 -22.229 1.00 0.00 C ATOM 819 O ILE B 73 3.212 -7.756 -22.675 1.00 0.00 O ATOM 820 CB ILE B 73 4.054 -10.926 -23.489 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.040 -11.736 -24.333 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.782 -10.644 -24.276 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.688 -13.204 -24.431 1.00 0.00 C ATOM 0 HA ILE B 73 5.007 -9.035 -23.903 1.00 0.00 H new ATOM 0 HB ILE B 73 3.791 -11.512 -22.609 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.080 -11.313 -25.337 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.038 -11.638 -23.906 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.336 -11.586 -24.596 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.076 -10.103 -23.645 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.022 -10.041 -25.151 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.430 -13.716 -25.044 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.676 -13.643 -23.433 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.704 -13.313 -24.887 1.00 0.00 H new ATOM 835 N THR B 74 3.339 -9.302 -21.044 1.00 0.00 N ATOM 836 CA THR B 74 2.373 -8.631 -20.183 1.00 0.00 C ATOM 837 C THR B 74 2.709 -7.152 -20.028 1.00 0.00 C ATOM 838 O THR B 74 1.837 -6.291 -20.151 1.00 0.00 O ATOM 839 CB THR B 74 2.318 -9.282 -18.788 1.00 0.00 C ATOM 840 OG1 THR B 74 2.029 -10.679 -18.910 1.00 0.00 O ATOM 841 CG2 THR B 74 1.261 -8.614 -17.921 1.00 0.00 C ATOM 0 H THR B 74 3.718 -10.167 -20.659 1.00 0.00 H new ATOM 0 HA THR B 74 1.399 -8.731 -20.662 1.00 0.00 H new ATOM 0 HB THR B 74 3.290 -9.153 -18.312 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.998 -11.086 -18.019 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.240 -9.090 -16.941 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.500 -7.557 -17.806 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.285 -8.716 -18.395 1.00 0.00 H new ATOM 849 N LEU B 75 3.977 -6.863 -19.760 1.00 0.00 N ATOM 850 CA LEU B 75 4.429 -5.486 -19.589 1.00 0.00 C ATOM 851 C LEU B 75 4.089 -4.646 -20.816 1.00 0.00 C ATOM 852 O LEU B 75 3.526 -3.557 -20.699 1.00 0.00 O ATOM 853 CB LEU B 75 5.937 -5.451 -19.334 1.00 0.00 C ATOM 854 CG LEU B 75 6.405 -6.027 -17.997 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.921 -5.979 -17.897 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.767 -5.274 -16.839 1.00 0.00 C ATOM 0 H LEU B 75 4.711 -7.563 -19.656 1.00 0.00 H new ATOM 0 HA LEU B 75 3.912 -5.064 -18.727 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.434 -5.997 -20.136 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.272 -4.416 -19.398 1.00 0.00 H new ATOM 0 HG LEU B 75 6.091 -7.069 -17.942 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.236 -6.393 -16.939 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.358 -6.564 -18.706 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.258 -4.945 -17.974 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.112 -5.698 -15.896 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.049 -4.222 -16.889 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.682 -5.362 -16.901 1.00 0.00 H new ATOM 868 N ILE B 76 4.434 -5.160 -21.992 1.00 0.00 N ATOM 869 CA ILE B 76 4.162 -4.458 -23.241 1.00 0.00 C ATOM 870 C ILE B 76 2.679 -4.131 -23.376 1.00 0.00 C ATOM 871 O ILE B 76 2.310 -3.008 -23.721 1.00 0.00 O ATOM 872 CB ILE B 76 4.608 -5.286 -24.460 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.076 -5.694 -24.319 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.392 -4.498 -25.743 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.032 -4.521 -24.328 1.00 0.00 C ATOM 0 H ILE B 76 4.902 -6.059 -22.106 1.00 0.00 H new ATOM 0 HA ILE B 76 4.734 -3.531 -23.214 1.00 0.00 H new ATOM 0 HB ILE B 76 4.003 -6.191 -24.506 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.203 -6.249 -23.389 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.336 -6.371 -25.133 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.712 -5.097 -26.596 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.335 -4.255 -25.847 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.974 -3.577 -25.707 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.054 -4.884 -24.224 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.933 -3.978 -25.268 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.798 -3.854 -23.498 1.00 0.00 H new ATOM 887 N ILE B 77 1.834 -5.119 -23.101 1.00 0.00 N ATOM 888 CA ILE B 77 0.390 -4.935 -23.190 1.00 0.00 C ATOM 889 C ILE B 77 -0.093 -3.892 -22.188 1.00 0.00 C ATOM 890 O ILE B 77 -0.824 -2.967 -22.542 1.00 0.00 O ATOM 891 CB ILE B 77 -0.362 -6.256 -22.942 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.129 -7.336 -23.909 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.861 -6.047 -23.090 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.665 -8.621 -23.833 1.00 0.00 C ATOM 0 H ILE B 77 2.124 -6.054 -22.815 1.00 0.00 H new ATOM 0 HA ILE B 77 0.177 -4.590 -24.202 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.160 -6.587 -21.923 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.082 -6.949 -24.927 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.176 -7.552 -23.698 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.379 -6.989 -22.912 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.198 -5.305 -22.366 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.082 -5.697 -24.098 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.262 -9.341 -24.545 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.598 -9.031 -22.825 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.709 -8.419 -24.074 1.00 0.00 H new ATOM 906 N PHE B 78 0.320 -4.048 -20.934 1.00 0.00 N ATOM 907 CA PHE B 78 -0.070 -3.119 -19.880 1.00 0.00 C ATOM 908 C PHE B 78 0.277 -1.684 -20.263 1.00 0.00 C ATOM 909 O PHE B 78 -0.541 -0.776 -20.121 1.00 0.00 O ATOM 910 CB PHE B 78 0.619 -3.489 -18.565 1.00 0.00 C ATOM 911 CG PHE B 78 0.488 -2.435 -17.503 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.589 -2.441 -16.631 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.442 -1.438 -17.376 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.712 -1.472 -15.652 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.325 -0.468 -16.399 1.00 0.00 C ATOM 916 CZ PHE B 78 0.246 -0.484 -15.537 1.00 0.00 C ATOM 0 H PHE B 78 0.924 -4.809 -20.623 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.150 -3.190 -19.749 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.197 -4.423 -18.193 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.676 -3.671 -18.757 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.341 -3.211 -16.717 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.287 -1.419 -18.049 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.556 -1.488 -14.978 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.077 0.302 -16.309 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.152 0.275 -14.774 1.00 0.00 H new ATOM 926 N GLY B 79 1.499 -1.486 -20.749 1.00 0.00 N ATOM 927 CA GLY B 79 1.935 -0.160 -21.144 1.00 0.00 C ATOM 928 C GLY B 79 1.031 0.460 -22.191 1.00 0.00 C ATOM 929 O GLY B 79 0.535 1.573 -22.015 1.00 0.00 O ATOM 0 H GLY B 79 2.195 -2.221 -20.876 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.965 0.486 -20.266 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.952 -0.216 -21.533 1.00 0.00 H new ATOM 933 N VAL B 80 0.815 -0.262 -23.287 1.00 0.00 N ATOM 934 CA VAL B 80 -0.035 0.223 -24.367 1.00 0.00 C ATOM 935 C VAL B 80 -1.470 0.422 -23.890 1.00 0.00 C ATOM 936 O VAL B 80 -2.162 1.335 -24.338 1.00 0.00 O ATOM 937 CB VAL B 80 -0.033 -0.748 -25.562 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.859 -0.185 -26.709 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.392 -1.036 -26.011 1.00 0.00 C ATOM 0 H VAL B 80 1.218 -1.185 -23.450 1.00 0.00 H new ATOM 0 HA VAL B 80 0.375 1.181 -24.686 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.487 -1.687 -25.246 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.846 -0.885 -27.545 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.886 -0.034 -26.378 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.437 0.768 -27.028 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.375 -1.724 -26.856 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.874 -0.105 -26.310 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.949 -1.485 -25.189 1.00 0.00 H new ATOM 949 N MET B 81 -1.909 -0.440 -22.979 1.00 0.00 N ATOM 950 CA MET B 81 -3.262 -0.358 -22.440 1.00 0.00 C ATOM 951 C MET B 81 -3.448 0.923 -21.631 1.00 0.00 C ATOM 952 O MET B 81 -4.442 1.630 -21.791 1.00 0.00 O ATOM 953 CB MET B 81 -3.559 -1.576 -21.563 1.00 0.00 C ATOM 954 CG MET B 81 -3.881 -2.831 -22.357 1.00 0.00 C ATOM 955 SD MET B 81 -4.136 -4.273 -21.304 1.00 0.00 S ATOM 956 CE MET B 81 -5.775 -3.939 -20.664 1.00 0.00 C ATOM 0 H MET B 81 -1.349 -1.203 -22.599 1.00 0.00 H new ATOM 0 HA MET B 81 -3.960 -0.343 -23.277 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.699 -1.771 -20.923 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.398 -1.345 -20.907 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.777 -2.659 -22.954 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.068 -3.034 -23.054 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.111 -4.785 -20.065 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.748 -3.043 -20.044 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.465 -3.785 -21.494 1.00 0.00 H new ATOM 966 N ALA B 82 -2.485 1.214 -20.763 1.00 0.00 N ATOM 967 CA ALA B 82 -2.542 2.410 -19.931 1.00 0.00 C ATOM 968 C ALA B 82 -2.440 3.673 -20.779 1.00 0.00 C ATOM 969 O ALA B 82 -3.192 4.627 -20.582 1.00 0.00 O ATOM 970 CB ALA B 82 -1.435 2.381 -18.888 1.00 0.00 C ATOM 0 H ALA B 82 -1.656 0.638 -20.617 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.505 2.423 -19.421 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.490 3.280 -18.274 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.554 1.502 -18.255 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.466 2.341 -19.386 1.00 0.00 H new ATOM 976 N GLY B 83 -1.503 3.674 -21.722 1.00 0.00 N ATOM 977 CA GLY B 83 -1.320 4.826 -22.585 1.00 0.00 C ATOM 978 C GLY B 83 -2.540 5.113 -23.437 1.00 0.00 C ATOM 979 O GLY B 83 -3.038 6.239 -23.462 1.00 0.00 O ATOM 0 H GLY B 83 -0.867 2.897 -21.904 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.093 5.700 -21.975 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.460 4.657 -23.233 1.00 0.00 H new ATOM 983 N VAL B 84 -3.023 4.093 -24.138 1.00 0.00 N ATOM 984 CA VAL B 84 -4.193 4.240 -24.996 1.00 0.00 C ATOM 985 C VAL B 84 -5.369 4.829 -24.225 1.00 0.00 C ATOM 986 O VAL B 84 -5.904 5.875 -24.594 1.00 0.00 O ATOM 987 CB VAL B 84 -4.617 2.891 -25.605 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.980 3.008 -26.268 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.572 2.403 -26.598 1.00 0.00 C ATOM 0 H VAL B 84 -2.622 3.155 -24.129 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.912 4.920 -25.800 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.693 2.158 -24.802 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.262 2.044 -26.692 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.720 3.309 -25.527 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.936 3.755 -27.061 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.888 1.448 -27.019 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.462 3.134 -27.399 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.617 2.277 -26.088 1.00 0.00 H new ATOM 999 N ILE B 85 -5.766 4.151 -23.154 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.878 4.608 -22.330 1.00 0.00 C ATOM 1001 C ILE B 85 -6.648 6.033 -21.838 1.00 0.00 C ATOM 1002 O ILE B 85 -7.566 6.852 -21.824 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.094 3.686 -21.115 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.441 2.270 -21.577 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.192 4.240 -20.219 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.763 2.179 -22.306 1.00 0.00 C ATOM 0 H ILE B 85 -5.334 3.283 -22.836 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.768 4.582 -22.958 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.169 3.644 -20.540 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.649 1.906 -22.231 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.467 1.610 -20.710 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.333 3.578 -19.365 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.908 5.232 -19.866 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.122 4.308 -20.783 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.944 1.146 -22.604 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.565 2.512 -21.648 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.734 2.813 -23.192 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.414 6.323 -21.436 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.085 7.651 -20.951 1.00 0.00 C ATOM 1020 C GLY B 86 -5.363 8.729 -21.979 1.00 0.00 C ATOM 1021 O GLY B 86 -6.046 9.713 -21.691 1.00 0.00 O ATOM 0 H GLY B 86 -4.637 5.662 -21.438 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.660 7.857 -20.048 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.032 7.682 -20.672 1.00 0.00 H new ATOM 1025 N THR B 87 -4.831 8.547 -23.184 1.00 0.00 N ATOM 1026 CA THR B 87 -5.022 9.514 -24.258 1.00 0.00 C ATOM 1027 C THR B 87 -6.504 9.739 -24.538 1.00 0.00 C ATOM 1028 O THR B 87 -6.947 10.875 -24.710 1.00 0.00 O ATOM 1029 CB THR B 87 -4.330 9.056 -25.556 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.080 8.428 -25.249 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.096 10.235 -26.489 1.00 0.00 C ATOM 0 H THR B 87 -4.264 7.739 -23.440 1.00 0.00 H new ATOM 0 HA THR B 87 -4.572 10.449 -23.925 1.00 0.00 H new ATOM 0 HB THR B 87 -4.982 8.341 -26.057 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.656 8.893 -24.498 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.606 9.887 -27.399 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.052 10.693 -26.744 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.462 10.970 -25.994 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.264 8.650 -24.581 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.697 8.730 -24.838 1.00 0.00 C ATOM 1041 C ILE B 88 -9.382 9.665 -23.848 1.00 0.00 C ATOM 1042 O ILE B 88 -10.119 10.571 -24.239 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.361 7.343 -24.761 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.738 6.397 -25.790 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.861 7.461 -24.983 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.908 4.934 -25.446 1.00 0.00 C ATOM 0 H ILE B 88 -6.912 7.703 -24.441 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.815 9.125 -25.847 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.192 6.930 -23.766 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.187 6.587 -26.765 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.675 6.620 -25.880 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.316 6.472 -24.926 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.293 8.104 -24.216 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.051 7.891 -25.966 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.442 4.322 -26.219 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.434 4.729 -24.486 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.970 4.696 -25.385 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.133 9.441 -22.562 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.724 10.265 -21.513 1.00 0.00 C ATOM 1060 C LEU B 89 -9.380 11.737 -21.718 1.00 0.00 C ATOM 1061 O LEU B 89 -10.264 12.593 -21.756 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.238 9.802 -20.139 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.866 8.515 -19.603 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.923 7.826 -18.629 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.202 8.811 -18.936 1.00 0.00 C ATOM 0 H LEU B 89 -8.526 8.696 -22.221 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.807 10.154 -21.565 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.158 9.663 -20.186 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.426 10.601 -19.421 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.043 7.843 -20.443 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.387 6.912 -18.258 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.991 7.579 -19.138 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.714 8.492 -17.792 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.635 7.884 -18.560 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.050 9.502 -18.107 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.880 9.259 -19.662 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.089 12.024 -21.851 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.627 13.393 -22.055 1.00 0.00 C ATOM 1079 C LEU B 90 -8.268 14.005 -23.296 1.00 0.00 C ATOM 1080 O LEU B 90 -8.810 15.109 -23.246 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.103 13.423 -22.186 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.314 13.073 -20.924 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.977 12.447 -21.287 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.109 14.310 -20.062 1.00 0.00 C ATOM 0 H LEU B 90 -7.344 11.328 -21.821 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.923 13.983 -21.188 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.813 12.730 -22.976 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.806 14.420 -22.511 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.889 12.346 -20.350 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.429 12.205 -20.376 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.146 11.537 -21.862 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.396 13.150 -21.883 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.546 14.041 -19.168 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.556 15.060 -20.628 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.078 14.716 -19.772 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.204 13.279 -24.407 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.781 13.750 -25.661 1.00 0.00 C ATOM 1098 C ILE B 91 -10.252 14.112 -25.487 1.00 0.00 C ATOM 1099 O ILE B 91 -10.693 15.181 -25.909 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.652 12.692 -26.772 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.180 12.467 -27.124 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.437 13.119 -28.003 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.905 11.110 -27.734 1.00 0.00 C ATOM 0 H ILE B 91 -7.759 12.363 -24.465 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.222 14.640 -25.951 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.067 11.752 -26.408 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.859 13.241 -27.821 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.578 12.580 -26.222 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.336 12.361 -28.780 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.489 13.233 -27.742 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.049 14.069 -28.371 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.842 11.020 -27.958 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.195 10.329 -27.031 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.480 11.001 -28.654 1.00 0.00 H new ATOM 1115 N SER B 92 -11.007 13.214 -24.861 1.00 0.00 N ATOM 1116 CA SER B 92 -12.429 13.437 -24.632 1.00 0.00 C ATOM 1117 C SER B 92 -12.661 14.754 -23.896 1.00 0.00 C ATOM 1118 O SER B 92 -13.715 15.376 -24.030 1.00 0.00 O ATOM 1119 CB SER B 92 -13.027 12.279 -23.830 1.00 0.00 C ATOM 1120 OG SER B 92 -13.510 11.261 -24.689 1.00 0.00 O ATOM 0 H SER B 92 -10.657 12.325 -24.504 1.00 0.00 H new ATOM 0 HA SER B 92 -12.923 13.491 -25.602 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.271 11.867 -23.161 1.00 0.00 H new ATOM 0 HB3 SER B 92 -13.840 12.647 -23.204 1.00 0.00 H new ATOM 0 HG SER B 92 -13.886 10.532 -24.153 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.669 15.171 -23.118 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.765 16.412 -22.357 1.00 0.00 C ATOM 1128 C TYR B 93 -11.670 17.624 -23.279 1.00 0.00 C ATOM 1129 O TYR B 93 -12.345 18.631 -23.070 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.661 16.473 -21.300 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.176 16.721 -19.901 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.129 15.886 -19.331 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.708 17.791 -19.147 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.603 16.110 -18.053 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.175 18.022 -17.868 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.123 17.179 -17.325 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.591 17.404 -16.051 1.00 0.00 O ATOM 0 H TYR B 93 -10.789 14.669 -22.997 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.735 16.431 -21.861 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.105 15.535 -21.313 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.959 17.263 -21.565 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.506 15.047 -19.897 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.966 18.453 -19.569 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.345 15.452 -17.626 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.800 18.858 -17.296 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.151 18.195 -15.676 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.825 17.518 -24.300 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.656 18.612 -25.240 1.00 0.00 C ATOM 1149 C GLY B 94 -11.926 18.916 -26.009 1.00 0.00 C ATOM 1150 O GLY B 94 -12.276 20.081 -26.205 1.00 0.00 O ATOM 0 H GLY B 94 -10.255 16.695 -24.493 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.339 19.505 -24.701 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.860 18.364 -25.942 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.617 17.869 -26.446 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.855 18.031 -27.198 1.00 0.00 C ATOM 1156 C ILE B 95 -14.944 18.659 -26.336 1.00 0.00 C ATOM 1157 O ILE B 95 -15.731 19.478 -26.811 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.362 16.684 -27.745 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.313 16.054 -28.663 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.677 16.874 -28.487 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.744 14.757 -28.131 1.00 0.00 C ATOM 0 H ILE B 95 -12.341 16.899 -26.292 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.631 18.692 -28.035 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.535 16.010 -26.906 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.760 15.871 -29.640 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.499 16.764 -28.812 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.022 15.913 -28.868 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.423 17.284 -27.806 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.529 17.562 -29.320 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.007 14.368 -28.833 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -12.267 14.937 -27.167 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.547 14.031 -28.008 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.983 18.271 -25.065 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.975 18.797 -24.136 1.00 0.00 C ATOM 1175 C ARG B 96 -15.629 20.224 -23.721 1.00 0.00 C ATOM 1176 O ARG B 96 -16.512 21.072 -23.582 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.069 17.904 -22.897 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.478 17.415 -22.604 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.216 18.368 -21.678 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.399 17.749 -21.085 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.345 16.813 -20.144 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.172 16.391 -19.691 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.465 16.298 -19.654 1.00 0.00 N ATOM 0 H ARG B 96 -14.339 17.594 -24.656 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.940 18.808 -24.643 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.415 17.042 -23.030 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.698 18.455 -22.033 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.030 17.312 -23.538 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.434 16.425 -22.149 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.544 18.697 -20.886 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.512 19.257 -22.234 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.317 18.052 -21.411 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.309 16.785 -20.065 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -18.133 15.672 -18.968 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.369 16.621 -20.000 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.422 15.579 -18.931 1.00 0.00 H new