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 -60:sc= -0.0793 USER MOD Single : B 92 SER OG : rot -72:sc= 1.21 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N ILE A 73 12.117 -0.715 -18.051 1.00 0.00 N ATOM 197 CA ILE A 73 11.636 0.654 -18.190 1.00 0.00 C ATOM 198 C ILE A 73 11.381 1.001 -19.652 1.00 0.00 C ATOM 199 O ILE A 73 10.284 1.423 -20.020 1.00 0.00 O ATOM 200 CB ILE A 73 12.639 1.665 -17.601 1.00 0.00 C ATOM 201 CG1 ILE A 73 12.898 1.358 -16.125 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.119 3.085 -17.770 1.00 0.00 C ATOM 203 CD1 ILE A 73 13.899 2.291 -15.481 1.00 0.00 C ATOM 0 HA ILE A 73 10.700 0.718 -17.636 1.00 0.00 H new ATOM 0 HB ILE A 73 13.582 1.577 -18.141 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.956 1.416 -15.579 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.257 0.333 -16.033 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.838 3.788 -17.349 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.981 3.298 -18.830 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.166 3.187 -17.252 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.033 2.015 -14.435 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.854 2.216 -16.002 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.532 3.316 -15.541 1.00 0.00 H new ATOM 215 N THR A 74 12.401 0.820 -20.485 1.00 0.00 N ATOM 216 CA THR A 74 12.287 1.113 -21.908 1.00 0.00 C ATOM 217 C THR A 74 11.046 0.462 -22.507 1.00 0.00 C ATOM 218 O THR A 74 10.275 1.108 -23.218 1.00 0.00 O ATOM 219 CB THR A 74 13.529 0.631 -22.682 1.00 0.00 C ATOM 220 OG1 THR A 74 14.709 1.237 -22.142 1.00 0.00 O ATOM 221 CG2 THR A 74 13.411 0.970 -24.160 1.00 0.00 C ATOM 0 H THR A 74 13.316 0.472 -20.198 1.00 0.00 H new ATOM 0 HA THR A 74 12.206 2.196 -22.001 1.00 0.00 H new ATOM 0 HB THR A 74 13.597 -0.452 -22.578 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.494 0.924 -22.638 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.299 0.620 -24.686 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.528 0.484 -24.575 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.321 2.050 -24.280 1.00 0.00 H new ATOM 229 N LEU A 75 10.856 -0.820 -22.214 1.00 0.00 N ATOM 230 CA LEU A 75 9.706 -1.559 -22.723 1.00 0.00 C ATOM 231 C LEU A 75 8.401 -0.880 -22.320 1.00 0.00 C ATOM 232 O LEU A 75 7.522 -0.659 -23.153 1.00 0.00 O ATOM 233 CB LEU A 75 9.728 -2.997 -22.202 1.00 0.00 C ATOM 234 CG LEU A 75 10.656 -3.964 -22.940 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.432 -5.390 -22.460 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.442 -3.865 -24.443 1.00 0.00 C ATOM 0 H LEU A 75 11.484 -1.369 -21.627 1.00 0.00 H new ATOM 0 HA LEU A 75 9.766 -1.572 -23.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.018 -2.977 -21.151 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.714 -3.394 -22.246 1.00 0.00 H new ATOM 0 HG LEU A 75 11.687 -3.687 -22.721 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.101 -6.064 -22.996 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.636 -5.450 -21.391 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.398 -5.679 -22.649 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.110 -4.560 -24.952 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.408 -4.116 -24.681 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.654 -2.849 -24.775 1.00 0.00 H new ATOM 248 N ILE A 76 8.283 -0.551 -21.038 1.00 0.00 N ATOM 249 CA ILE A 76 7.087 0.105 -20.525 1.00 0.00 C ATOM 250 C ILE A 76 6.801 1.397 -21.284 1.00 0.00 C ATOM 251 O ILE A 76 5.662 1.663 -21.669 1.00 0.00 O ATOM 252 CB ILE A 76 7.218 0.423 -19.024 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.488 -0.858 -18.231 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.960 1.111 -18.516 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.420 -1.914 -18.408 1.00 0.00 C ATOM 0 H ILE A 76 9.001 -0.728 -20.336 1.00 0.00 H new ATOM 0 HA ILE A 76 6.260 -0.590 -20.669 1.00 0.00 H new ATOM 0 HB ILE A 76 8.061 1.100 -18.883 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.449 -1.270 -18.538 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.571 -0.610 -17.173 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.068 1.329 -17.454 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.808 2.041 -19.064 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.101 0.457 -18.666 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.677 -2.794 -17.818 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.460 -1.520 -18.074 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.352 -2.190 -19.460 1.00 0.00 H new ATOM 267 N ILE A 77 7.842 2.194 -21.496 1.00 0.00 N ATOM 268 CA ILE A 77 7.704 3.457 -22.211 1.00 0.00 C ATOM 269 C ILE A 77 7.292 3.225 -23.661 1.00 0.00 C ATOM 270 O ILE A 77 6.337 3.829 -24.150 1.00 0.00 O ATOM 271 CB ILE A 77 9.014 4.266 -22.184 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.372 4.651 -20.747 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.888 5.507 -23.055 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.447 5.689 -20.152 1.00 0.00 C ATOM 0 H ILE A 77 8.791 1.988 -21.183 1.00 0.00 H new ATOM 0 HA ILE A 77 6.926 4.025 -21.701 1.00 0.00 H new ATOM 0 HB ILE A 77 9.816 3.645 -22.584 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.351 3.757 -20.124 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.393 5.031 -20.725 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.822 6.068 -23.026 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.675 5.211 -24.082 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.077 6.132 -22.682 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.760 5.914 -19.132 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.486 6.598 -20.752 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.427 5.304 -20.142 1.00 0.00 H new ATOM 286 N PHE A 78 8.017 2.345 -24.343 1.00 0.00 N ATOM 287 CA PHE A 78 7.727 2.032 -25.737 1.00 0.00 C ATOM 288 C PHE A 78 6.273 1.602 -25.907 1.00 0.00 C ATOM 289 O PHE A 78 5.572 2.081 -26.796 1.00 0.00 O ATOM 290 CB PHE A 78 8.660 0.928 -26.239 1.00 0.00 C ATOM 291 CG PHE A 78 8.268 0.376 -27.580 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.734 0.959 -28.747 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.435 -0.727 -27.673 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.375 0.454 -29.982 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.072 -1.237 -28.905 1.00 0.00 C ATOM 296 CZ PHE A 78 7.544 -0.647 -30.061 1.00 0.00 C ATOM 0 H PHE A 78 8.810 1.836 -23.953 1.00 0.00 H new ATOM 0 HA PHE A 78 7.892 2.933 -26.327 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.675 1.321 -26.299 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.675 0.117 -25.511 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.386 1.818 -28.691 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.065 -1.194 -26.772 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.743 0.919 -30.884 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.420 -2.096 -28.964 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.264 -1.045 -31.025 1.00 0.00 H new ATOM 306 N GLY A 79 5.827 0.692 -25.046 1.00 0.00 N ATOM 307 CA GLY A 79 4.460 0.210 -25.117 1.00 0.00 C ATOM 308 C GLY A 79 3.445 1.332 -25.029 1.00 0.00 C ATOM 309 O GLY A 79 2.599 1.484 -25.910 1.00 0.00 O ATOM 0 H GLY A 79 6.388 0.280 -24.301 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.317 -0.333 -26.052 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.285 -0.498 -24.307 1.00 0.00 H new ATOM 313 N VAL A 80 3.527 2.120 -23.961 1.00 0.00 N ATOM 314 CA VAL A 80 2.608 3.234 -23.761 1.00 0.00 C ATOM 315 C VAL A 80 2.715 4.246 -24.896 1.00 0.00 C ATOM 316 O VAL A 80 1.725 4.867 -25.282 1.00 0.00 O ATOM 317 CB VAL A 80 2.877 3.949 -22.423 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.869 5.068 -22.204 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.842 2.956 -21.272 1.00 0.00 C ATOM 0 H VAL A 80 4.220 2.007 -23.221 1.00 0.00 H new ATOM 0 HA VAL A 80 1.602 2.816 -23.746 1.00 0.00 H new ATOM 0 HB VAL A 80 3.873 4.391 -22.461 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.074 5.562 -21.254 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.948 5.793 -23.014 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.862 4.652 -22.186 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.034 3.478 -20.335 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.861 2.483 -21.229 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.606 2.194 -21.426 1.00 0.00 H new ATOM 329 N MET A 81 3.922 4.406 -25.428 1.00 0.00 N ATOM 330 CA MET A 81 4.158 5.341 -26.521 1.00 0.00 C ATOM 331 C MET A 81 3.423 4.899 -27.783 1.00 0.00 C ATOM 332 O MET A 81 2.791 5.710 -28.460 1.00 0.00 O ATOM 333 CB MET A 81 5.656 5.460 -26.805 1.00 0.00 C ATOM 334 CG MET A 81 6.399 6.325 -25.799 1.00 0.00 C ATOM 335 SD MET A 81 6.365 8.076 -26.230 1.00 0.00 S ATOM 336 CE MET A 81 7.982 8.595 -25.662 1.00 0.00 C ATOM 0 H MET A 81 4.752 3.900 -25.120 1.00 0.00 H new ATOM 0 HA MET A 81 3.774 6.316 -26.221 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.097 4.463 -26.810 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.796 5.876 -27.803 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.957 6.189 -24.812 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.434 5.991 -25.733 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.113 9.659 -25.859 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.068 8.411 -24.591 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.751 8.031 -26.190 1.00 0.00 H new ATOM 346 N ALA A 82 3.510 3.610 -28.092 1.00 0.00 N ATOM 347 CA ALA A 82 2.852 3.061 -29.271 1.00 0.00 C ATOM 348 C ALA A 82 1.335 3.135 -29.137 1.00 0.00 C ATOM 349 O ALA A 82 0.639 3.540 -30.067 1.00 0.00 O ATOM 350 CB ALA A 82 3.294 1.623 -29.501 1.00 0.00 C ATOM 0 H ALA A 82 4.030 2.926 -27.542 1.00 0.00 H new ATOM 0 HA ALA A 82 3.144 3.661 -30.132 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.795 1.226 -30.385 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.373 1.594 -29.650 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.031 1.018 -28.633 1.00 0.00 H new ATOM 356 N GLY A 83 0.828 2.738 -27.973 1.00 0.00 N ATOM 357 CA GLY A 83 -0.604 2.767 -27.740 1.00 0.00 C ATOM 358 C GLY A 83 -1.170 4.173 -27.779 1.00 0.00 C ATOM 359 O GLY A 83 -2.121 4.447 -28.512 1.00 0.00 O ATOM 0 H GLY A 83 1.383 2.397 -27.188 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.104 2.157 -28.492 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.820 2.318 -26.770 1.00 0.00 H new ATOM 363 N VAL A 84 -0.586 5.067 -26.988 1.00 0.00 N ATOM 364 CA VAL A 84 -1.038 6.452 -26.935 1.00 0.00 C ATOM 365 C VAL A 84 -1.080 7.070 -28.327 1.00 0.00 C ATOM 366 O VAL A 84 -2.124 7.545 -28.776 1.00 0.00 O ATOM 367 CB VAL A 84 -0.126 7.305 -26.033 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.475 8.780 -26.165 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.234 6.851 -24.585 1.00 0.00 C ATOM 0 H VAL A 84 0.202 4.857 -26.375 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.044 6.441 -26.516 1.00 0.00 H new ATOM 0 HB VAL A 84 0.906 7.169 -26.356 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.179 9.368 -25.521 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.342 9.094 -27.200 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.512 8.936 -25.868 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.417 7.464 -23.962 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.265 6.956 -24.247 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.068 5.807 -24.508 1.00 0.00 H new ATOM 816 N ILE B 73 6.328 -9.822 -22.295 1.00 0.00 N ATOM 817 CA ILE B 73 5.088 -9.616 -23.033 1.00 0.00 C ATOM 818 C ILE B 73 4.064 -8.865 -22.188 1.00 0.00 C ATOM 819 O ILE B 73 3.513 -7.850 -22.617 1.00 0.00 O ATOM 820 CB ILE B 73 4.476 -10.954 -23.490 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.484 -11.738 -24.333 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.196 -10.710 -24.276 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.962 -10.988 -25.557 1.00 0.00 C ATOM 0 HA ILE B 73 5.339 -9.021 -23.911 1.00 0.00 H new ATOM 0 HB ILE B 73 4.230 -11.545 -22.608 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.344 -11.991 -23.713 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.030 -12.678 -24.647 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.775 -11.665 -24.592 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.476 -10.187 -23.646 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.418 -10.103 -25.154 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.674 -11.604 -26.106 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.111 -10.758 -26.198 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.446 -10.061 -25.250 1.00 0.00 H new ATOM 835 N THR B 74 3.814 -9.369 -20.984 1.00 0.00 N ATOM 836 CA THR B 74 2.857 -8.746 -20.078 1.00 0.00 C ATOM 837 C THR B 74 3.121 -7.250 -19.943 1.00 0.00 C ATOM 838 O THR B 74 2.203 -6.435 -20.049 1.00 0.00 O ATOM 839 CB THR B 74 2.903 -9.391 -18.680 1.00 0.00 C ATOM 840 OG1 THR B 74 2.652 -10.797 -18.782 1.00 0.00 O ATOM 841 CG2 THR B 74 1.879 -8.753 -17.755 1.00 0.00 C ATOM 0 H THR B 74 4.261 -10.207 -20.613 1.00 0.00 H new ATOM 0 HA THR B 74 1.868 -8.901 -20.509 1.00 0.00 H new ATOM 0 HB THR B 74 3.896 -9.229 -18.261 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.685 -11.201 -17.890 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.931 -9.225 -16.774 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.091 -7.688 -17.657 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.880 -8.887 -18.170 1.00 0.00 H new ATOM 849 N LEU B 75 4.380 -6.895 -19.710 1.00 0.00 N ATOM 850 CA LEU B 75 4.765 -5.496 -19.562 1.00 0.00 C ATOM 851 C LEU B 75 4.352 -4.685 -20.786 1.00 0.00 C ATOM 852 O LEU B 75 3.753 -3.616 -20.661 1.00 0.00 O ATOM 853 CB LEU B 75 6.275 -5.383 -19.347 1.00 0.00 C ATOM 854 CG LEU B 75 6.819 -6.010 -18.063 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.339 -5.961 -18.048 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.249 -5.304 -16.842 1.00 0.00 C ATOM 0 H LEU B 75 5.151 -7.556 -19.620 1.00 0.00 H new ATOM 0 HA LEU B 75 4.249 -5.093 -18.691 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.778 -5.847 -20.195 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.545 -4.327 -19.355 1.00 0.00 H new ATOM 0 HG LEU B 75 6.509 -7.055 -18.032 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.708 -6.412 -17.127 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.729 -6.512 -18.904 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.670 -4.924 -18.103 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.647 -5.763 -15.937 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.528 -4.251 -16.867 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.163 -5.391 -16.845 1.00 0.00 H new ATOM 868 N ILE B 76 4.673 -5.201 -21.968 1.00 0.00 N ATOM 869 CA ILE B 76 4.332 -4.526 -23.214 1.00 0.00 C ATOM 870 C ILE B 76 2.833 -4.257 -23.301 1.00 0.00 C ATOM 871 O ILE B 76 2.409 -3.155 -23.650 1.00 0.00 O ATOM 872 CB ILE B 76 4.766 -5.353 -24.439 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.251 -5.709 -24.341 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.483 -4.586 -25.722 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.164 -4.503 -24.363 1.00 0.00 C ATOM 0 H ILE B 76 5.169 -6.084 -22.089 1.00 0.00 H new ATOM 0 HA ILE B 76 4.870 -3.578 -23.217 1.00 0.00 H new ATOM 0 HB ILE B 76 4.190 -6.278 -24.457 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.422 -6.268 -23.421 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.514 -6.369 -25.168 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.795 -5.183 -26.579 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.415 -4.378 -25.794 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.036 -3.647 -25.714 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.201 -4.830 -24.290 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.021 -3.955 -25.295 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.929 -3.853 -23.520 1.00 0.00 H new ATOM 887 N ILE B 77 2.036 -5.271 -22.980 1.00 0.00 N ATOM 888 CA ILE B 77 0.585 -5.143 -23.020 1.00 0.00 C ATOM 889 C ILE B 77 0.095 -4.125 -21.995 1.00 0.00 C ATOM 890 O ILE B 77 -0.678 -3.224 -22.321 1.00 0.00 O ATOM 891 CB ILE B 77 -0.107 -6.494 -22.756 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.333 -7.528 -23.794 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.619 -6.327 -22.775 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.428 -8.832 -23.708 1.00 0.00 C ATOM 0 H ILE B 77 2.371 -6.190 -22.690 1.00 0.00 H new ATOM 0 HA ILE B 77 0.326 -4.801 -24.022 1.00 0.00 H new ATOM 0 HB ILE B 77 0.187 -6.850 -21.769 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.205 -7.107 -24.791 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.397 -7.728 -23.667 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.094 -7.290 -22.587 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.917 -5.619 -22.002 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.931 -5.953 -23.750 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.063 -9.517 -24.473 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.280 -9.276 -22.723 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.490 -8.644 -23.865 1.00 0.00 H new ATOM 906 N PHE B 78 0.550 -4.275 -20.756 1.00 0.00 N ATOM 907 CA PHE B 78 0.159 -3.368 -19.683 1.00 0.00 C ATOM 908 C PHE B 78 0.447 -1.919 -20.063 1.00 0.00 C ATOM 909 O PHE B 78 -0.405 -1.044 -19.911 1.00 0.00 O ATOM 910 CB PHE B 78 0.897 -3.724 -18.391 1.00 0.00 C ATOM 911 CG PHE B 78 0.762 -2.683 -17.317 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.283 -2.738 -16.408 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.679 -1.650 -17.215 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.411 -1.782 -15.418 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.557 -0.691 -16.227 1.00 0.00 C ATOM 916 CZ PHE B 78 0.510 -0.757 -15.328 1.00 0.00 C ATOM 0 H PHE B 78 1.190 -5.016 -20.470 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.914 -3.477 -19.523 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.517 -4.674 -18.015 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.954 -3.869 -18.614 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.006 -3.538 -16.474 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.499 -1.593 -17.916 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.230 -1.837 -14.716 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.279 0.109 -16.158 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.412 -0.008 -14.556 1.00 0.00 H new ATOM 926 N GLY B 79 1.655 -1.672 -20.560 1.00 0.00 N ATOM 927 CA GLY B 79 2.036 -0.328 -20.954 1.00 0.00 C ATOM 928 C GLY B 79 1.084 0.268 -21.972 1.00 0.00 C ATOM 929 O GLY B 79 0.527 1.345 -21.757 1.00 0.00 O ATOM 0 H GLY B 79 2.377 -2.379 -20.697 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.067 0.311 -20.072 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.043 -0.346 -21.370 1.00 0.00 H new ATOM 933 N VAL B 80 0.898 -0.432 -23.087 1.00 0.00 N ATOM 934 CA VAL B 80 0.008 0.035 -24.143 1.00 0.00 C ATOM 935 C VAL B 80 -1.422 0.178 -23.634 1.00 0.00 C ATOM 936 O VAL B 80 -2.157 1.067 -24.060 1.00 0.00 O ATOM 937 CB VAL B 80 0.019 -0.922 -25.350 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.863 -0.383 -26.466 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.442 -1.142 -25.842 1.00 0.00 C ATOM 0 H VAL B 80 1.352 -1.324 -23.282 1.00 0.00 H new ATOM 0 HA VAL B 80 0.377 1.011 -24.459 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.384 -1.884 -25.033 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.843 -1.072 -27.310 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.886 -0.282 -26.104 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.493 0.592 -26.784 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.431 -1.821 -26.695 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.875 -0.188 -26.143 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.041 -1.575 -25.041 1.00 0.00 H new ATOM 949 N MET B 81 -1.809 -0.705 -22.719 1.00 0.00 N ATOM 950 CA MET B 81 -3.151 -0.676 -22.150 1.00 0.00 C ATOM 951 C MET B 81 -3.367 0.591 -21.329 1.00 0.00 C ATOM 952 O MET B 81 -4.411 1.234 -21.427 1.00 0.00 O ATOM 953 CB MET B 81 -3.384 -1.910 -21.275 1.00 0.00 C ATOM 954 CG MET B 81 -3.661 -3.175 -22.070 1.00 0.00 C ATOM 955 SD MET B 81 -5.409 -3.378 -22.465 1.00 0.00 S ATOM 956 CE MET B 81 -5.306 -4.359 -23.960 1.00 0.00 C ATOM 0 H MET B 81 -1.213 -1.449 -22.356 1.00 0.00 H new ATOM 0 HA MET B 81 -3.867 -0.681 -22.972 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.508 -2.070 -20.646 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.224 -1.719 -20.608 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.084 -3.152 -22.994 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.318 -4.039 -21.501 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.310 -4.568 -24.328 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.749 -3.809 -24.718 1.00 0.00 H new ATOM 0 HE3 MET B 81 -4.796 -5.298 -23.745 1.00 0.00 H new ATOM 966 N ALA B 82 -2.372 0.944 -20.522 1.00 0.00 N ATOM 967 CA ALA B 82 -2.453 2.136 -19.686 1.00 0.00 C ATOM 968 C ALA B 82 -2.478 3.402 -20.536 1.00 0.00 C ATOM 969 O ALA B 82 -3.291 4.297 -20.311 1.00 0.00 O ATOM 970 CB ALA B 82 -1.287 2.176 -18.710 1.00 0.00 C ATOM 0 H ALA B 82 -1.501 0.422 -20.429 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.384 2.091 -19.121 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.360 3.071 -18.092 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.315 1.292 -18.073 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.349 2.194 -19.265 1.00 0.00 H new ATOM 976 N GLY B 83 -1.580 3.470 -21.514 1.00 0.00 N ATOM 977 CA GLY B 83 -1.515 4.631 -22.382 1.00 0.00 C ATOM 978 C GLY B 83 -2.778 4.813 -23.202 1.00 0.00 C ATOM 979 O GLY B 83 -3.383 5.885 -23.194 1.00 0.00 O ATOM 0 H GLY B 83 -0.896 2.742 -21.721 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.345 5.523 -21.779 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.661 4.532 -23.052 1.00 0.00 H new ATOM 983 N VAL B 84 -3.176 3.763 -23.913 1.00 0.00 N ATOM 984 CA VAL B 84 -4.374 3.812 -24.742 1.00 0.00 C ATOM 985 C VAL B 84 -5.586 4.260 -23.932 1.00 0.00 C ATOM 986 O VAL B 84 -6.223 5.264 -24.253 1.00 0.00 O ATOM 987 CB VAL B 84 -4.674 2.441 -25.376 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.031 2.454 -26.063 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.576 2.056 -26.357 1.00 0.00 C ATOM 0 H VAL B 84 -2.686 2.868 -23.931 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.181 4.536 -25.533 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.702 1.693 -24.583 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.225 1.476 -26.505 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.807 2.682 -25.332 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.035 3.213 -26.845 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.804 1.085 -26.796 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.514 2.805 -27.146 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.622 2.002 -25.833 1.00 0.00 H new ATOM 999 N ILE B 85 -5.898 3.510 -22.880 1.00 0.00 N ATOM 1000 CA ILE B 85 -7.032 3.831 -22.023 1.00 0.00 C ATOM 1001 C ILE B 85 -6.927 5.253 -21.483 1.00 0.00 C ATOM 1002 O ILE B 85 -7.924 5.968 -21.389 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.139 2.851 -20.840 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.383 1.429 -21.348 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.251 3.280 -19.895 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.720 1.254 -22.035 1.00 0.00 C ATOM 0 H ILE B 85 -5.381 2.676 -22.601 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.927 3.744 -22.638 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.198 2.864 -20.291 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.588 1.159 -22.043 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.321 0.736 -20.509 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.314 2.577 -19.064 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -8.038 4.278 -19.511 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.200 3.293 -20.432 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.825 0.222 -22.369 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.522 1.493 -21.336 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.777 1.921 -22.895 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.711 5.658 -21.129 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.497 6.994 -20.603 1.00 0.00 C ATOM 1020 C GLY B 86 -5.909 8.075 -21.583 1.00 0.00 C ATOM 1021 O GLY B 86 -6.680 8.972 -21.242 1.00 0.00 O ATOM 0 H GLY B 86 -4.870 5.085 -21.197 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -6.062 7.112 -19.678 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.444 7.118 -20.352 1.00 0.00 H new ATOM 1025 N THR B 87 -5.392 7.991 -22.805 1.00 0.00 N ATOM 1026 CA THR B 87 -5.708 8.971 -23.837 1.00 0.00 C ATOM 1027 C THR B 87 -7.211 9.048 -24.081 1.00 0.00 C ATOM 1028 O THR B 87 -7.773 10.136 -24.211 1.00 0.00 O ATOM 1029 CB THR B 87 -5.000 8.638 -25.164 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.666 8.187 -24.907 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.963 9.854 -26.077 1.00 0.00 C ATOM 0 H THR B 87 -4.753 7.255 -23.104 1.00 0.00 H new ATOM 0 HA THR B 87 -5.352 9.936 -23.476 1.00 0.00 H new ATOM 0 HB THR B 87 -5.561 7.847 -25.662 1.00 0.00 H new ATOM 0 HG1 THR B 87 -3.166 8.892 -24.445 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.458 9.595 -27.008 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.981 10.177 -26.294 1.00 0.00 H new ATOM 0 HG23 THR B 87 -4.423 10.663 -25.584 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.856 7.888 -24.141 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.294 7.825 -24.368 1.00 0.00 C ATOM 1041 C ILE B 88 -10.050 8.653 -23.334 1.00 0.00 C ATOM 1042 O ILE B 88 -10.879 9.495 -23.683 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.808 6.374 -24.322 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.109 5.528 -25.388 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.317 6.340 -24.517 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.106 4.047 -25.079 1.00 0.00 C ATOM 0 H ILE B 88 -7.405 6.979 -24.036 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.475 8.235 -25.362 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.578 5.954 -23.343 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.600 5.690 -26.348 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -8.080 5.871 -25.495 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.665 5.308 -24.482 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.799 6.913 -23.725 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.569 6.775 -25.484 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.594 3.510 -25.877 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.589 3.873 -24.135 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.133 3.689 -25.002 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.758 8.409 -22.061 1.00 0.00 N ATOM 1059 CA LEU B 89 -10.409 9.134 -20.975 1.00 0.00 C ATOM 1060 C LEU B 89 -10.213 10.639 -21.131 1.00 0.00 C ATOM 1061 O LEU B 89 -11.178 11.405 -21.123 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.857 8.673 -19.625 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.345 7.312 -19.130 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.302 6.665 -18.232 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.670 7.455 -18.395 1.00 0.00 C ATOM 0 H LEU B 89 -9.075 7.715 -21.756 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.477 8.919 -21.016 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.769 8.645 -19.690 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -10.112 9.422 -18.876 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.500 6.667 -19.995 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.667 5.697 -17.889 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.376 6.527 -18.791 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.114 7.307 -17.372 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -12.002 6.476 -18.050 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.542 8.117 -17.539 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.417 7.874 -19.069 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.960 11.055 -21.274 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.637 12.469 -21.434 1.00 0.00 C ATOM 1079 C LEU B 90 -9.365 13.061 -22.637 1.00 0.00 C ATOM 1080 O LEU B 90 -9.998 14.113 -22.536 1.00 0.00 O ATOM 1081 CB LEU B 90 -7.127 12.653 -21.596 1.00 0.00 C ATOM 1082 CG LEU B 90 -6.280 12.373 -20.354 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.881 11.929 -20.751 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -6.218 13.606 -19.463 1.00 0.00 C ATOM 0 H LEU B 90 -8.151 10.434 -21.283 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.966 12.995 -20.538 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.786 12.000 -22.399 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.938 13.678 -21.917 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.749 11.565 -19.792 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -4.293 11.734 -19.854 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.944 11.019 -21.348 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -4.402 12.715 -21.336 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.611 13.389 -18.584 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.773 14.433 -20.016 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -7.226 13.880 -19.150 1.00 0.00 H new ATOM 1096 N ILE B 91 -9.272 12.378 -23.773 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.924 12.835 -24.994 1.00 0.00 C ATOM 1098 C ILE B 91 -11.415 13.063 -24.768 1.00 0.00 C ATOM 1099 O ILE B 91 -11.955 14.109 -25.127 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.738 11.826 -26.142 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -8.267 11.759 -26.558 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.612 12.207 -27.328 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.884 10.451 -27.214 1.00 0.00 C ATOM 0 H ILE B 91 -8.752 11.506 -23.873 1.00 0.00 H new ATOM 0 HA ILE B 91 -9.453 13.778 -25.270 1.00 0.00 H new ATOM 0 HB ILE B 91 -10.043 10.840 -25.792 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -8.055 12.577 -27.246 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.642 11.912 -25.678 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.470 11.485 -28.132 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.658 12.209 -27.023 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -10.335 13.201 -27.680 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.828 10.474 -27.482 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -8.064 9.630 -26.520 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -8.484 10.305 -28.113 1.00 0.00 H new ATOM 1115 N SER B 92 -12.075 12.076 -24.170 1.00 0.00 N ATOM 1116 CA SER B 92 -13.505 12.168 -23.898 1.00 0.00 C ATOM 1117 C SER B 92 -13.824 13.420 -23.087 1.00 0.00 C ATOM 1118 O SER B 92 -14.903 13.999 -23.218 1.00 0.00 O ATOM 1119 CB SER B 92 -13.983 10.924 -23.146 1.00 0.00 C ATOM 1120 OG SER B 92 -13.846 11.091 -21.745 1.00 0.00 O ATOM 0 H SER B 92 -11.643 11.204 -23.865 1.00 0.00 H new ATOM 0 HA SER B 92 -14.028 12.231 -24.852 1.00 0.00 H new ATOM 0 HB2 SER B 92 -15.026 10.725 -23.391 1.00 0.00 H new ATOM 0 HB3 SER B 92 -13.408 10.056 -23.470 1.00 0.00 H new ATOM 0 HG SER B 92 -12.897 11.058 -21.503 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.879 13.832 -22.250 1.00 0.00 N ATOM 1127 CA TYR B 93 -13.059 15.014 -21.416 1.00 0.00 C ATOM 1128 C TYR B 93 -12.981 16.288 -22.251 1.00 0.00 C ATOM 1129 O TYR B 93 -13.694 17.257 -21.995 1.00 0.00 O ATOM 1130 CB TYR B 93 -12.003 15.050 -20.310 1.00 0.00 C ATOM 1131 CG TYR B 93 -12.516 14.584 -18.967 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -13.647 15.155 -18.397 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.869 13.573 -18.267 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -14.119 14.733 -17.169 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -12.335 13.143 -17.039 1.00 0.00 C ATOM 1136 CZ TYR B 93 -13.460 13.726 -16.494 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.927 13.302 -15.271 1.00 0.00 O ATOM 0 H TYR B 93 -11.980 13.365 -22.131 1.00 0.00 H new ATOM 0 HA TYR B 93 -14.049 14.959 -20.962 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.160 14.425 -20.604 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -11.626 16.068 -20.212 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -14.166 15.942 -18.923 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.987 13.115 -18.690 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -14.999 15.189 -16.740 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.821 12.355 -16.509 1.00 0.00 H new ATOM 0 HH TYR B 93 -13.350 12.587 -14.931 1.00 0.00 H new ATOM 1147 N GLY B 94 -12.107 16.278 -23.254 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.951 17.437 -24.113 1.00 0.00 C ATOM 1149 C GLY B 94 -13.194 17.724 -24.931 1.00 0.00 C ATOM 1150 O GLY B 94 -13.542 18.883 -25.158 1.00 0.00 O ATOM 0 H GLY B 94 -11.505 15.488 -23.486 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.712 18.308 -23.503 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -11.107 17.277 -24.784 1.00 0.00 H new ATOM 1154 N ILE B 95 -13.864 16.667 -25.377 1.00 0.00 N ATOM 1155 CA ILE B 95 -15.075 16.812 -26.175 1.00 0.00 C ATOM 1156 C ILE B 95 -16.196 17.451 -25.363 1.00 0.00 C ATOM 1157 O ILE B 95 -17.036 18.170 -25.903 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.559 15.453 -26.717 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.475 14.810 -27.584 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.846 15.626 -27.509 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.061 15.662 -28.764 1.00 0.00 C ATOM 0 H ILE B 95 -13.589 15.701 -25.199 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.823 17.460 -27.015 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.761 14.793 -25.873 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.600 14.608 -26.967 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -14.836 13.848 -27.949 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -17.175 14.657 -27.885 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.617 16.045 -26.863 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.669 16.300 -28.347 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.290 15.144 -29.334 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.925 15.843 -29.403 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.669 16.614 -28.406 1.00 0.00 H new ATOM 1173 N ARG B 96 -16.202 17.184 -24.061 1.00 0.00 N ATOM 1174 CA ARG B 96 -17.219 17.733 -23.173 1.00 0.00 C ATOM 1175 C ARG B 96 -16.960 19.212 -22.898 1.00 0.00 C ATOM 1176 O ARG B 96 -17.885 20.025 -22.900 1.00 0.00 O ATOM 1177 CB ARG B 96 -17.250 16.957 -21.855 1.00 0.00 C ATOM 1178 CG ARG B 96 -18.644 16.807 -21.268 1.00 0.00 C ATOM 1179 CD ARG B 96 -19.055 18.046 -20.487 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.976 17.726 -19.400 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.609 17.107 -18.283 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.346 16.744 -18.107 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.507 16.852 -17.339 1.00 0.00 N ATOM 0 H ARG B 96 -15.514 16.591 -23.598 1.00 0.00 H new ATOM 0 HA ARG B 96 -18.186 17.636 -23.667 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.825 15.966 -22.017 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.613 17.463 -21.130 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -19.360 16.626 -22.070 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.673 15.936 -20.613 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.167 18.529 -20.080 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -19.525 18.761 -21.162 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.955 17.992 -19.504 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.654 16.940 -18.830 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -18.067 16.269 -17.249 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.479 17.131 -17.471 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.225 16.377 -16.482 1.00 0.00 H new