USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 318 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 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 55:sc= -0.655! USER MOD Single : A 92 SER OG : rot -25:sc= 0.392 USER MOD Single : A 93 TYR OH : 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 56:sc= -0.752! USER MOD Single : B 92 SER OG : rot -29:sc= 0.338 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.585 -5.036 -4.129 1.00 0.00 N ATOM 79 CA LEU A 75 10.840 -4.366 -4.453 1.00 0.00 C ATOM 80 C LEU A 75 12.010 -5.025 -3.730 1.00 0.00 C ATOM 81 O LEU A 75 13.104 -5.147 -4.283 1.00 0.00 O ATOM 82 CB LEU A 75 10.762 -2.886 -4.076 1.00 0.00 C ATOM 83 CG LEU A 75 9.479 -2.157 -4.480 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.586 -0.674 -4.162 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.189 -2.368 -5.958 1.00 0.00 C ATOM 0 HA LEU A 75 11.004 -4.453 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.880 -2.800 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.608 -2.371 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 75 8.651 -2.572 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.665 -0.171 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.746 -0.542 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.425 -0.244 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.273 -1.842 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.018 -1.980 -6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.068 -3.433 -6.157 1.00 0.00 H new ATOM 97 N ILE A 76 11.772 -5.450 -2.494 1.00 0.00 N ATOM 98 CA ILE A 76 12.806 -6.100 -1.698 1.00 0.00 C ATOM 99 C ILE A 76 13.193 -7.449 -2.294 1.00 0.00 C ATOM 100 O ILE A 76 14.372 -7.799 -2.352 1.00 0.00 O ATOM 101 CB ILE A 76 12.348 -6.308 -0.242 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.948 -4.970 0.385 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.450 -6.972 0.570 1.00 0.00 C ATOM 104 CD1 ILE A 76 13.100 -3.999 0.523 1.00 0.00 C ATOM 0 H ILE A 76 10.873 -5.356 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 76 13.673 -5.439 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 76 11.477 -6.964 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.168 -4.512 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.518 -5.153 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.111 -7.112 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.692 -7.940 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.338 -6.340 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.743 -3.073 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.872 -4.437 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.516 -3.786 -0.462 1.00 0.00 H new ATOM 116 N ILE A 77 12.192 -8.202 -2.738 1.00 0.00 N ATOM 117 CA ILE A 77 12.428 -9.512 -3.334 1.00 0.00 C ATOM 118 C ILE A 77 13.186 -9.388 -4.651 1.00 0.00 C ATOM 119 O ILE A 77 14.267 -9.954 -4.812 1.00 0.00 O ATOM 120 CB ILE A 77 11.106 -10.263 -3.583 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.515 -10.753 -2.260 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.332 -11.429 -4.534 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.328 -11.847 -1.604 1.00 0.00 C ATOM 0 H ILE A 77 11.210 -7.928 -2.696 1.00 0.00 H new ATOM 0 HA ILE A 77 13.030 -10.079 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 77 10.395 -9.576 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.434 -9.910 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.504 -11.119 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.389 -11.950 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.713 -11.055 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.056 -12.118 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.850 -12.146 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.388 -12.706 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.332 -11.479 -1.396 1.00 0.00 H new ATOM 135 N PHE A 78 12.612 -8.643 -5.590 1.00 0.00 N ATOM 136 CA PHE A 78 13.235 -8.444 -6.894 1.00 0.00 C ATOM 137 C PHE A 78 14.596 -7.769 -6.749 1.00 0.00 C ATOM 138 O PHE A 78 15.503 -8.002 -7.547 1.00 0.00 O ATOM 139 CB PHE A 78 12.327 -7.600 -7.792 1.00 0.00 C ATOM 140 CG PHE A 78 12.974 -7.195 -9.085 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.709 -6.023 -9.170 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.848 -7.985 -10.216 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.304 -5.647 -10.359 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.441 -7.614 -11.408 1.00 0.00 C ATOM 145 CZ PHE A 78 14.172 -6.444 -11.479 1.00 0.00 C ATOM 0 H PHE A 78 11.717 -8.167 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 78 13.381 -9.422 -7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.419 -8.163 -8.010 1.00 0.00 H new ATOM 0 HB3 PHE A 78 12.024 -6.704 -7.250 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.818 -5.397 -8.297 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.280 -8.902 -10.166 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.872 -4.730 -10.412 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.333 -8.238 -12.283 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.639 -6.153 -12.408 1.00 0.00 H new ATOM 155 N GLY A 79 14.729 -6.932 -5.725 1.00 0.00 N ATOM 156 CA GLY A 79 15.981 -6.236 -5.495 1.00 0.00 C ATOM 157 C GLY A 79 17.091 -7.169 -5.052 1.00 0.00 C ATOM 158 O GLY A 79 18.090 -7.334 -5.752 1.00 0.00 O ATOM 0 H GLY A 79 13.992 -6.724 -5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.283 -5.726 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.832 -5.468 -4.736 1.00 0.00 H new ATOM 162 N VAL A 80 16.917 -7.780 -3.885 1.00 0.00 N ATOM 163 CA VAL A 80 17.911 -8.702 -3.348 1.00 0.00 C ATOM 164 C VAL A 80 18.196 -9.835 -4.328 1.00 0.00 C ATOM 165 O VAL A 80 19.329 -10.301 -4.442 1.00 0.00 O ATOM 166 CB VAL A 80 17.454 -9.302 -2.005 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.498 -10.271 -1.471 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.174 -8.198 -0.997 1.00 0.00 C ATOM 0 H VAL A 80 16.096 -7.653 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 80 18.822 -8.126 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 80 16.530 -9.856 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.158 -10.685 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.645 -11.079 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.440 -9.744 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.852 -8.640 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.081 -7.615 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.388 -7.547 -1.380 1.00 0.00 H new ATOM 178 N MET A 81 17.159 -10.273 -5.034 1.00 0.00 N ATOM 179 CA MET A 81 17.297 -11.351 -6.007 1.00 0.00 C ATOM 180 C MET A 81 18.190 -10.924 -7.167 1.00 0.00 C ATOM 181 O MET A 81 19.094 -11.657 -7.569 1.00 0.00 O ATOM 182 CB MET A 81 15.924 -11.772 -6.533 1.00 0.00 C ATOM 183 CG MET A 81 15.187 -12.728 -5.609 1.00 0.00 C ATOM 184 SD MET A 81 13.699 -13.414 -6.364 1.00 0.00 S ATOM 185 CE MET A 81 14.239 -15.083 -6.722 1.00 0.00 C ATOM 0 H MET A 81 16.214 -9.898 -4.951 1.00 0.00 H new ATOM 0 HA MET A 81 17.762 -12.201 -5.507 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.313 -10.882 -6.684 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.046 -12.244 -7.508 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.855 -13.542 -5.327 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.916 -12.205 -4.692 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.426 -15.635 -7.193 1.00 0.00 H new ATOM 0 HE2 MET A 81 15.095 -15.052 -7.396 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.525 -15.579 -5.795 1.00 0.00 H new ATOM 195 N ALA A 82 17.931 -9.736 -7.702 1.00 0.00 N ATOM 196 CA ALA A 82 18.712 -9.212 -8.816 1.00 0.00 C ATOM 197 C ALA A 82 20.169 -9.005 -8.414 1.00 0.00 C ATOM 198 O ALA A 82 21.081 -9.252 -9.202 1.00 0.00 O ATOM 199 CB ALA A 82 18.110 -7.907 -9.315 1.00 0.00 C ATOM 0 H ALA A 82 17.186 -9.117 -7.382 1.00 0.00 H new ATOM 0 HA ALA A 82 18.685 -9.944 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.703 -7.527 -10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.087 -8.082 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.107 -7.175 -8.507 1.00 0.00 H new ATOM 205 N GLY A 83 20.380 -8.550 -7.183 1.00 0.00 N ATOM 206 CA GLY A 83 21.728 -8.316 -6.700 1.00 0.00 C ATOM 207 C GLY A 83 22.469 -9.605 -6.402 1.00 0.00 C ATOM 208 O GLY A 83 23.544 -9.852 -6.948 1.00 0.00 O ATOM 0 H GLY A 83 19.642 -8.339 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.283 -7.745 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.687 -7.707 -5.797 1.00 0.00 H new ATOM 212 N VAL A 84 21.893 -10.429 -5.532 1.00 0.00 N ATOM 213 CA VAL A 84 22.505 -11.700 -5.162 1.00 0.00 C ATOM 214 C VAL A 84 22.798 -12.548 -6.395 1.00 0.00 C ATOM 215 O VAL A 84 23.903 -13.068 -6.555 1.00 0.00 O ATOM 216 CB VAL A 84 21.603 -12.500 -4.205 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.223 -13.853 -3.891 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.349 -11.712 -2.929 1.00 0.00 C ATOM 0 H VAL A 84 21.004 -10.239 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 84 23.441 -11.465 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 84 20.645 -12.672 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.571 -14.404 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.348 -14.419 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.195 -13.707 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.710 -12.293 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.298 -11.507 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.857 -10.771 -3.174 1.00 0.00 H new ATOM 228 N ILE A 85 21.802 -12.684 -7.263 1.00 0.00 N ATOM 229 CA ILE A 85 21.954 -13.468 -8.483 1.00 0.00 C ATOM 230 C ILE A 85 23.000 -12.852 -9.406 1.00 0.00 C ATOM 231 O ILE A 85 23.884 -13.544 -9.908 1.00 0.00 O ATOM 232 CB ILE A 85 20.620 -13.588 -9.244 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.603 -14.374 -8.414 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.839 -14.256 -10.593 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.989 -15.820 -8.195 1.00 0.00 C ATOM 0 H ILE A 85 20.881 -12.262 -7.145 1.00 0.00 H new ATOM 0 HA ILE A 85 22.281 -14.463 -8.181 1.00 0.00 H new ATOM 0 HB ILE A 85 20.225 -12.587 -9.415 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.483 -13.888 -7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.634 -14.337 -8.911 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.888 -14.334 -11.119 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.534 -13.660 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.253 -15.253 -10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.222 -16.315 -7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.080 -16.322 -9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.943 -15.866 -7.670 1.00 0.00 H new ATOM 247 N GLY A 86 22.892 -11.545 -9.624 1.00 0.00 N ATOM 248 CA GLY A 86 23.836 -10.857 -10.485 1.00 0.00 C ATOM 249 C GLY A 86 25.261 -10.951 -9.976 1.00 0.00 C ATOM 250 O GLY A 86 26.203 -11.064 -10.760 1.00 0.00 O ATOM 0 H GLY A 86 22.168 -10.951 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.783 -11.280 -11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.551 -9.808 -10.566 1.00 0.00 H new ATOM 254 N THR A 87 25.421 -10.903 -8.657 1.00 0.00 N ATOM 255 CA THR A 87 26.740 -10.980 -8.043 1.00 0.00 C ATOM 256 C THR A 87 27.349 -12.366 -8.222 1.00 0.00 C ATOM 257 O THR A 87 28.426 -12.512 -8.800 1.00 0.00 O ATOM 258 CB THR A 87 26.682 -10.647 -6.541 1.00 0.00 C ATOM 259 OG1 THR A 87 26.118 -9.345 -6.349 1.00 0.00 O ATOM 260 CG2 THR A 87 28.070 -10.700 -5.920 1.00 0.00 C ATOM 0 H THR A 87 24.652 -10.811 -7.993 1.00 0.00 H new ATOM 0 HA THR A 87 27.366 -10.243 -8.546 1.00 0.00 H new ATOM 0 HB THR A 87 26.054 -11.391 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.242 -9.300 -6.787 1.00 0.00 H new ATOM 0 HG21 THR A 87 28.003 -10.461 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.485 -11.701 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.718 -9.976 -6.415 1.00 0.00 H new ATOM 268 N ILE A 88 26.652 -13.382 -7.722 1.00 0.00 N ATOM 269 CA ILE A 88 27.124 -14.757 -7.828 1.00 0.00 C ATOM 270 C ILE A 88 27.379 -15.140 -9.282 1.00 0.00 C ATOM 271 O ILE A 88 28.332 -15.857 -9.589 1.00 0.00 O ATOM 272 CB ILE A 88 26.115 -15.747 -7.217 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.863 -15.409 -5.746 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.622 -17.174 -7.359 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.737 -16.207 -5.127 1.00 0.00 C ATOM 0 H ILE A 88 25.759 -13.278 -7.240 1.00 0.00 H new ATOM 0 HA ILE A 88 28.059 -14.814 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 88 25.172 -15.662 -7.756 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.777 -15.586 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.635 -14.347 -5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.898 -17.862 -6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.756 -17.409 -8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.576 -17.274 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.615 -15.915 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.812 -16.012 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.972 -17.270 -5.181 1.00 0.00 H new ATOM 287 N LEU A 89 26.521 -14.656 -10.174 1.00 0.00 N ATOM 288 CA LEU A 89 26.654 -14.946 -11.598 1.00 0.00 C ATOM 289 C LEU A 89 27.931 -14.332 -12.162 1.00 0.00 C ATOM 290 O LEU A 89 28.751 -15.024 -12.766 1.00 0.00 O ATOM 291 CB LEU A 89 25.439 -14.416 -12.361 1.00 0.00 C ATOM 292 CG LEU A 89 24.233 -15.354 -12.439 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.066 -14.667 -13.131 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.604 -16.639 -13.164 1.00 0.00 C ATOM 0 H LEU A 89 25.727 -14.062 -9.937 1.00 0.00 H new ATOM 0 HA LEU A 89 26.709 -16.028 -11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.120 -13.484 -11.894 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.751 -14.173 -13.377 1.00 0.00 H new ATOM 0 HG LEU A 89 23.928 -15.608 -11.424 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.217 -15.350 -13.177 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.784 -13.775 -12.571 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.359 -14.383 -14.142 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.734 -17.295 -13.210 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.935 -16.403 -14.175 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.408 -17.141 -12.626 1.00 0.00 H new ATOM 306 N LEU A 90 28.094 -13.029 -11.960 1.00 0.00 N ATOM 307 CA LEU A 90 29.273 -12.321 -12.447 1.00 0.00 C ATOM 308 C LEU A 90 30.552 -12.987 -11.950 1.00 0.00 C ATOM 309 O LEU A 90 31.470 -13.247 -12.728 1.00 0.00 O ATOM 310 CB LEU A 90 29.237 -10.860 -11.996 1.00 0.00 C ATOM 311 CG LEU A 90 29.918 -9.854 -12.924 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.508 -8.434 -12.565 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.430 -10.007 -12.859 1.00 0.00 C ATOM 0 H LEU A 90 27.425 -12.441 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 90 29.265 -12.359 -13.536 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.195 -10.564 -11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.705 -10.792 -11.014 1.00 0.00 H new ATOM 0 HG LEU A 90 29.596 -10.056 -13.946 1.00 0.00 H new ATOM 0 HD11 LEU A 90 30.003 -7.732 -13.236 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.427 -8.331 -12.664 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.800 -8.220 -11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.898 -9.283 -13.526 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.770 -9.833 -11.838 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.707 -11.015 -13.166 1.00 0.00 H new ATOM 325 N ILE A 91 30.603 -13.263 -10.651 1.00 0.00 N ATOM 326 CA ILE A 91 31.768 -13.902 -10.052 1.00 0.00 C ATOM 327 C ILE A 91 31.955 -15.317 -10.587 1.00 0.00 C ATOM 328 O ILE A 91 33.011 -15.656 -11.122 1.00 0.00 O ATOM 329 CB ILE A 91 31.653 -13.956 -8.517 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.512 -12.545 -7.944 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.863 -14.659 -7.920 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.366 -12.516 -6.439 1.00 0.00 C ATOM 0 H ILE A 91 29.851 -13.054 -9.994 1.00 0.00 H new ATOM 0 HA ILE A 91 32.634 -13.297 -10.322 1.00 0.00 H new ATOM 0 HB ILE A 91 30.761 -14.524 -8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.385 -11.957 -8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.644 -12.064 -8.395 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.767 -14.689 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.921 -15.676 -8.308 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.769 -14.116 -8.189 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.271 -11.484 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.477 -13.076 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.245 -12.968 -5.979 1.00 0.00 H new ATOM 344 N SER A 92 30.921 -16.140 -10.442 1.00 0.00 N ATOM 345 CA SER A 92 30.971 -17.521 -10.909 1.00 0.00 C ATOM 346 C SER A 92 31.340 -17.581 -12.388 1.00 0.00 C ATOM 347 O SER A 92 31.873 -18.582 -12.867 1.00 0.00 O ATOM 348 CB SER A 92 29.624 -18.209 -10.678 1.00 0.00 C ATOM 349 OG SER A 92 28.626 -17.673 -11.529 1.00 0.00 O ATOM 0 H SER A 92 30.038 -15.874 -10.005 1.00 0.00 H new ATOM 0 HA SER A 92 31.739 -18.044 -10.340 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.723 -19.280 -10.858 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.323 -18.087 -9.637 1.00 0.00 H new ATOM 0 HG SER A 92 28.867 -16.756 -11.779 1.00 0.00 H new ATOM 355 N TYR A 93 31.051 -16.502 -13.107 1.00 0.00 N ATOM 356 CA TYR A 93 31.349 -16.431 -14.533 1.00 0.00 C ATOM 357 C TYR A 93 32.854 -16.467 -14.777 1.00 0.00 C ATOM 358 O TYR A 93 33.340 -17.218 -15.622 1.00 0.00 O ATOM 359 CB TYR A 93 30.753 -15.158 -15.137 1.00 0.00 C ATOM 360 CG TYR A 93 30.815 -15.118 -16.647 1.00 0.00 C ATOM 361 CD1 TYR A 93 29.954 -15.889 -17.418 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.735 -14.309 -17.302 1.00 0.00 C ATOM 363 CE1 TYR A 93 30.008 -15.856 -18.798 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.795 -14.269 -18.682 1.00 0.00 C ATOM 365 CZ TYR A 93 30.930 -15.044 -19.425 1.00 0.00 C ATOM 366 OH TYR A 93 30.987 -15.007 -20.800 1.00 0.00 O ATOM 0 H TYR A 93 30.611 -15.665 -12.726 1.00 0.00 H new ATOM 0 HA TYR A 93 30.900 -17.299 -15.016 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.713 -15.069 -14.822 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.283 -14.293 -14.737 1.00 0.00 H new ATOM 0 HD1 TYR A 93 29.230 -16.525 -16.930 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.415 -13.701 -16.723 1.00 0.00 H new ATOM 0 HE1 TYR A 93 29.332 -16.463 -19.383 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.516 -13.634 -19.176 1.00 0.00 H new ATOM 0 HH TYR A 93 31.690 -14.385 -21.082 1.00 0.00 H new ATOM 547 N LEU B 75 13.740 0.871 -1.335 1.00 0.00 N ATOM 548 CA LEU B 75 13.672 -0.577 -1.163 1.00 0.00 C ATOM 549 C LEU B 75 14.615 -1.285 -2.130 1.00 0.00 C ATOM 550 O LEU B 75 15.243 -2.285 -1.781 1.00 0.00 O ATOM 551 CB LEU B 75 12.240 -1.069 -1.376 1.00 0.00 C ATOM 552 CG LEU B 75 11.134 -0.193 -0.786 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.776 -0.854 -0.966 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.403 0.087 0.685 1.00 0.00 C ATOM 0 HA LEU B 75 13.982 -0.812 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.066 -1.166 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.153 -2.067 -0.947 1.00 0.00 H new ATOM 0 HG LEU B 75 11.126 0.757 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.002 -0.216 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.581 -1.001 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.771 -1.819 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.606 0.712 1.088 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.439 -0.854 1.234 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.357 0.604 0.788 1.00 0.00 H new ATOM 566 N ILE B 76 14.711 -0.758 -3.347 1.00 0.00 N ATOM 567 CA ILE B 76 15.580 -1.338 -4.363 1.00 0.00 C ATOM 568 C ILE B 76 17.048 -1.196 -3.978 1.00 0.00 C ATOM 569 O ILE B 76 17.836 -2.127 -4.141 1.00 0.00 O ATOM 570 CB ILE B 76 15.355 -0.681 -5.738 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.885 -0.791 -6.146 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.251 -1.324 -6.785 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.426 -2.214 -6.375 1.00 0.00 C ATOM 0 H ILE B 76 14.198 0.069 -3.652 1.00 0.00 H new ATOM 0 HA ILE B 76 15.326 -2.396 -4.429 1.00 0.00 H new ATOM 0 HB ILE B 76 15.614 0.375 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.266 -0.339 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.725 -0.215 -7.058 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.080 -0.849 -7.751 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.295 -1.198 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE B 76 16.021 -2.387 -6.858 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.374 -2.215 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE B 76 14.019 -2.664 -7.171 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.553 -2.789 -5.458 1.00 0.00 H new ATOM 585 N ILE B 77 17.408 -0.025 -3.464 1.00 0.00 N ATOM 586 CA ILE B 77 18.781 0.239 -3.052 1.00 0.00 C ATOM 587 C ILE B 77 19.176 -0.634 -1.865 1.00 0.00 C ATOM 588 O ILE B 77 20.141 -1.395 -1.934 1.00 0.00 O ATOM 589 CB ILE B 77 18.982 1.719 -2.676 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.986 2.591 -3.933 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.278 1.896 -1.898 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.194 2.372 -4.817 1.00 0.00 C ATOM 0 H ILE B 77 16.768 0.756 -3.323 1.00 0.00 H new ATOM 0 HA ILE B 77 19.417 -0.000 -3.904 1.00 0.00 H new ATOM 0 HB ILE B 77 18.154 2.033 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.083 2.388 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.947 3.640 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.406 2.947 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.239 1.300 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.118 1.568 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE B 77 20.130 3.023 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.101 2.603 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.223 1.332 -5.142 1.00 0.00 H new ATOM 604 N PHE B 78 18.422 -0.518 -0.776 1.00 0.00 N ATOM 605 CA PHE B 78 18.693 -1.297 0.427 1.00 0.00 C ATOM 606 C PHE B 78 18.596 -2.793 0.139 1.00 0.00 C ATOM 607 O PHE B 78 19.290 -3.600 0.756 1.00 0.00 O ATOM 608 CB PHE B 78 17.712 -0.916 1.538 1.00 0.00 C ATOM 609 CG PHE B 78 17.800 -1.804 2.745 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.044 -2.963 2.825 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.637 -1.481 3.801 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.122 -3.782 3.935 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.720 -2.297 4.914 1.00 0.00 C ATOM 614 CZ PHE B 78 17.962 -3.449 4.981 1.00 0.00 C ATOM 0 H PHE B 78 17.620 0.107 -0.702 1.00 0.00 H new ATOM 0 HA PHE B 78 19.708 -1.072 0.755 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.900 0.114 1.840 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.697 -0.952 1.143 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.387 -3.229 2.010 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.232 -0.581 3.754 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.527 -4.682 3.985 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.377 -2.034 5.730 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.025 -4.089 5.849 1.00 0.00 H new ATOM 624 N GLY B 79 17.730 -3.154 -0.802 1.00 0.00 N ATOM 625 CA GLY B 79 17.557 -4.551 -1.155 1.00 0.00 C ATOM 626 C GLY B 79 18.770 -5.125 -1.860 1.00 0.00 C ATOM 627 O GLY B 79 19.425 -6.032 -1.346 1.00 0.00 O ATOM 0 H GLY B 79 17.145 -2.504 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.358 -5.129 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.684 -4.654 -1.799 1.00 0.00 H new ATOM 631 N VAL B 80 19.070 -4.597 -3.043 1.00 0.00 N ATOM 632 CA VAL B 80 20.212 -5.063 -3.821 1.00 0.00 C ATOM 633 C VAL B 80 21.504 -4.953 -3.020 1.00 0.00 C ATOM 634 O VAL B 80 22.391 -5.798 -3.135 1.00 0.00 O ATOM 635 CB VAL B 80 20.362 -4.265 -5.130 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.567 -4.755 -5.919 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.093 -4.364 -5.962 1.00 0.00 C ATOM 0 H VAL B 80 18.538 -3.846 -3.483 1.00 0.00 H new ATOM 0 HA VAL B 80 20.026 -6.110 -4.062 1.00 0.00 H new ATOM 0 HB VAL B 80 20.524 -3.217 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.657 -4.180 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.470 -4.627 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.439 -5.810 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.216 -3.794 -6.883 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.898 -5.409 -6.205 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.254 -3.960 -5.395 1.00 0.00 H new ATOM 647 N MET B 81 21.603 -3.906 -2.208 1.00 0.00 N ATOM 648 CA MET B 81 22.787 -3.686 -1.385 1.00 0.00 C ATOM 649 C MET B 81 22.937 -4.789 -0.343 1.00 0.00 C ATOM 650 O MET B 81 24.020 -5.347 -0.168 1.00 0.00 O ATOM 651 CB MET B 81 22.709 -2.323 -0.695 1.00 0.00 C ATOM 652 CG MET B 81 23.097 -1.162 -1.597 1.00 0.00 C ATOM 653 SD MET B 81 24.615 -0.347 -1.066 1.00 0.00 S ATOM 654 CE MET B 81 23.953 1.078 -0.207 1.00 0.00 C ATOM 0 H MET B 81 20.878 -3.196 -2.102 1.00 0.00 H new ATOM 0 HA MET B 81 23.661 -3.705 -2.037 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.693 -2.166 -0.332 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.362 -2.329 0.177 1.00 0.00 H new ATOM 0 HG2 MET B 81 23.222 -1.526 -2.617 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.286 -0.434 -1.615 1.00 0.00 H new ATOM 0 HE1 MET B 81 24.773 1.683 0.180 1.00 0.00 H new ATOM 0 HE2 MET B 81 23.357 1.675 -0.898 1.00 0.00 H new ATOM 0 HE3 MET B 81 23.325 0.745 0.620 1.00 0.00 H new ATOM 664 N ALA B 82 21.844 -5.098 0.347 1.00 0.00 N ATOM 665 CA ALA B 82 21.854 -6.135 1.371 1.00 0.00 C ATOM 666 C ALA B 82 22.178 -7.498 0.769 1.00 0.00 C ATOM 667 O ALA B 82 22.885 -8.303 1.374 1.00 0.00 O ATOM 668 CB ALA B 82 20.515 -6.179 2.091 1.00 0.00 C ATOM 0 H ALA B 82 20.940 -4.644 0.215 1.00 0.00 H new ATOM 0 HA ALA B 82 22.634 -5.891 2.092 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.537 -6.958 2.853 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.324 -5.215 2.563 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.723 -6.395 1.374 1.00 0.00 H new ATOM 674 N GLY B 83 21.655 -7.751 -0.428 1.00 0.00 N ATOM 675 CA GLY B 83 21.900 -9.018 -1.091 1.00 0.00 C ATOM 676 C GLY B 83 23.312 -9.126 -1.633 1.00 0.00 C ATOM 677 O GLY B 83 24.046 -10.054 -1.292 1.00 0.00 O ATOM 0 H GLY B 83 21.067 -7.101 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.720 -9.832 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.190 -9.140 -1.909 1.00 0.00 H new ATOM 681 N VAL B 84 23.694 -8.175 -2.480 1.00 0.00 N ATOM 682 CA VAL B 84 25.027 -8.168 -3.070 1.00 0.00 C ATOM 683 C VAL B 84 26.105 -8.211 -1.993 1.00 0.00 C ATOM 684 O VAL B 84 27.037 -9.012 -2.066 1.00 0.00 O ATOM 685 CB VAL B 84 25.244 -6.921 -3.948 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.665 -6.893 -4.492 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.230 -6.885 -5.082 1.00 0.00 C ATOM 0 H VAL B 84 23.099 -7.400 -2.773 1.00 0.00 H new ATOM 0 HA VAL B 84 25.103 -9.060 -3.692 1.00 0.00 H new ATOM 0 HB VAL B 84 25.098 -6.034 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.801 -6.005 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.372 -6.869 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.842 -7.784 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.398 -5.998 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.343 -7.776 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.222 -6.855 -4.668 1.00 0.00 H new ATOM 697 N ILE B 85 25.971 -7.346 -0.994 1.00 0.00 N ATOM 698 CA ILE B 85 26.933 -7.287 0.100 1.00 0.00 C ATOM 699 C ILE B 85 26.933 -8.584 0.902 1.00 0.00 C ATOM 700 O ILE B 85 27.988 -9.151 1.184 1.00 0.00 O ATOM 701 CB ILE B 85 26.636 -6.111 1.048 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.813 -4.779 0.315 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.541 -6.174 2.270 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.240 -4.507 -0.106 1.00 0.00 C ATOM 0 H ILE B 85 25.206 -6.676 -0.919 1.00 0.00 H new ATOM 0 HA ILE B 85 27.915 -7.141 -0.351 1.00 0.00 H new ATOM 0 HB ILE B 85 25.601 -6.185 1.382 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.174 -4.772 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.473 -3.970 0.961 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.319 -5.336 2.931 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.370 -7.110 2.801 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.583 -6.121 1.954 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.291 -3.547 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.881 -4.482 0.775 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.578 -5.296 -0.778 1.00 0.00 H new ATOM 716 N GLY B 86 25.742 -9.050 1.265 1.00 0.00 N ATOM 717 CA GLY B 86 25.627 -10.277 2.030 1.00 0.00 C ATOM 718 C GLY B 86 26.193 -11.475 1.293 1.00 0.00 C ATOM 719 O GLY B 86 26.787 -12.365 1.902 1.00 0.00 O ATOM 0 H GLY B 86 24.855 -8.599 1.043 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.148 -10.159 2.980 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.578 -10.460 2.262 1.00 0.00 H new ATOM 723 N THR B 87 26.008 -11.499 -0.023 1.00 0.00 N ATOM 724 CA THR B 87 26.501 -12.598 -0.844 1.00 0.00 C ATOM 725 C THR B 87 28.024 -12.596 -0.907 1.00 0.00 C ATOM 726 O THR B 87 28.671 -13.574 -0.531 1.00 0.00 O ATOM 727 CB THR B 87 25.940 -12.524 -2.277 1.00 0.00 C ATOM 728 OG1 THR B 87 24.509 -12.530 -2.243 1.00 0.00 O ATOM 729 CG2 THR B 87 26.437 -13.694 -3.113 1.00 0.00 C ATOM 0 H THR B 87 25.520 -10.770 -0.543 1.00 0.00 H new ATOM 0 HA THR B 87 26.160 -13.521 -0.375 1.00 0.00 H new ATOM 0 HB THR B 87 26.289 -11.597 -2.733 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.192 -11.792 -1.681 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.028 -13.621 -4.121 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.526 -13.671 -3.161 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.114 -14.630 -2.657 1.00 0.00 H new ATOM 737 N ILE B 88 28.591 -11.492 -1.382 1.00 0.00 N ATOM 738 CA ILE B 88 30.039 -11.364 -1.492 1.00 0.00 C ATOM 739 C ILE B 88 30.713 -11.575 -0.140 1.00 0.00 C ATOM 740 O ILE B 88 31.785 -12.176 -0.056 1.00 0.00 O ATOM 741 CB ILE B 88 30.442 -9.983 -2.043 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.793 -9.746 -3.408 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.956 -9.874 -2.143 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.975 -8.336 -3.927 1.00 0.00 C ATOM 0 H ILE B 88 28.070 -10.674 -1.697 1.00 0.00 H new ATOM 0 HA ILE B 88 30.372 -12.135 -2.187 1.00 0.00 H new ATOM 0 HB ILE B 88 30.087 -9.215 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.215 -10.447 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.727 -9.964 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.225 -8.893 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.396 -10.004 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.333 -10.647 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.490 -8.240 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.528 -7.630 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.039 -8.121 -4.030 1.00 0.00 H new ATOM 756 N LEU B 89 30.077 -11.080 0.916 1.00 0.00 N ATOM 757 CA LEU B 89 30.614 -11.217 2.265 1.00 0.00 C ATOM 758 C LEU B 89 30.650 -12.681 2.692 1.00 0.00 C ATOM 759 O LEU B 89 31.690 -13.193 3.108 1.00 0.00 O ATOM 760 CB LEU B 89 29.774 -10.406 3.254 1.00 0.00 C ATOM 761 CG LEU B 89 30.134 -8.926 3.384 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.184 -8.228 4.345 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.575 -8.765 3.846 1.00 0.00 C ATOM 0 H LEU B 89 29.189 -10.580 0.864 1.00 0.00 H new ATOM 0 HA LEU B 89 31.634 -10.834 2.264 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.728 -10.480 2.958 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.860 -10.868 4.237 1.00 0.00 H new ATOM 0 HG LEU B 89 30.034 -8.461 2.403 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.456 -7.175 4.425 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.163 -8.312 3.973 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.251 -8.696 5.327 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.813 -7.705 3.933 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.702 -9.246 4.816 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.244 -9.229 3.121 1.00 0.00 H new ATOM 775 N LEU B 90 29.508 -13.351 2.584 1.00 0.00 N ATOM 776 CA LEU B 90 29.408 -14.758 2.956 1.00 0.00 C ATOM 777 C LEU B 90 30.445 -15.593 2.211 1.00 0.00 C ATOM 778 O LEU B 90 31.168 -16.385 2.816 1.00 0.00 O ATOM 779 CB LEU B 90 28.003 -15.286 2.660 1.00 0.00 C ATOM 780 CG LEU B 90 27.504 -16.412 3.567 1.00 0.00 C ATOM 781 CD1 LEU B 90 25.993 -16.341 3.724 1.00 0.00 C ATOM 782 CD2 LEU B 90 27.922 -17.766 3.014 1.00 0.00 C ATOM 0 H LEU B 90 28.638 -12.943 2.242 1.00 0.00 H new ATOM 0 HA LEU B 90 29.602 -14.840 4.025 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.302 -14.454 2.728 1.00 0.00 H new ATOM 0 HB3 LEU B 90 27.979 -15.639 1.629 1.00 0.00 H new ATOM 0 HG LEU B 90 27.957 -16.288 4.551 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.656 -17.150 4.372 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.718 -15.383 4.166 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.521 -16.439 2.747 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.559 -18.556 3.672 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.498 -17.899 2.019 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.009 -17.815 2.955 1.00 0.00 H new ATOM 794 N ILE B 91 30.512 -15.409 0.897 1.00 0.00 N ATOM 795 CA ILE B 91 31.462 -16.143 0.071 1.00 0.00 C ATOM 796 C ILE B 91 32.898 -15.774 0.426 1.00 0.00 C ATOM 797 O ILE B 91 33.704 -16.638 0.773 1.00 0.00 O ATOM 798 CB ILE B 91 31.231 -15.873 -1.428 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.809 -16.275 -1.827 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.255 -16.625 -2.265 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.495 -16.016 -3.284 1.00 0.00 C ATOM 0 H ILE B 91 29.920 -14.758 0.382 1.00 0.00 H new ATOM 0 HA ILE B 91 31.301 -17.202 0.270 1.00 0.00 H new ATOM 0 HB ILE B 91 31.352 -14.806 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.667 -17.335 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.098 -15.728 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.079 -16.424 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.258 -16.295 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.162 -17.695 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.471 -16.325 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.605 -14.953 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.182 -16.584 -3.911 1.00 0.00 H new ATOM 813 N SER B 92 33.212 -14.486 0.340 1.00 0.00 N ATOM 814 CA SER B 92 34.552 -14.002 0.651 1.00 0.00 C ATOM 815 C SER B 92 34.974 -14.435 2.051 1.00 0.00 C ATOM 816 O SER B 92 36.165 -14.544 2.347 1.00 0.00 O ATOM 817 CB SER B 92 34.606 -12.477 0.538 1.00 0.00 C ATOM 818 OG SER B 92 33.922 -11.862 1.615 1.00 0.00 O ATOM 0 H SER B 92 32.556 -13.758 0.057 1.00 0.00 H new ATOM 0 HA SER B 92 35.245 -14.437 -0.069 1.00 0.00 H new ATOM 0 HB2 SER B 92 35.645 -12.147 0.526 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.161 -12.163 -0.406 1.00 0.00 H new ATOM 0 HG SER B 92 33.201 -12.450 1.924 1.00 0.00 H new ATOM 824 N TYR B 93 33.991 -14.680 2.910 1.00 0.00 N ATOM 825 CA TYR B 93 34.259 -15.099 4.280 1.00 0.00 C ATOM 826 C TYR B 93 34.725 -16.551 4.325 1.00 0.00 C ATOM 827 O TYR B 93 35.754 -16.866 4.921 1.00 0.00 O ATOM 828 CB TYR B 93 33.007 -14.927 5.143 1.00 0.00 C ATOM 829 CG TYR B 93 33.235 -15.227 6.607 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.119 -16.522 7.097 1.00 0.00 C ATOM 831 CD2 TYR B 93 33.564 -14.216 7.501 1.00 0.00 C ATOM 832 CE1 TYR B 93 33.325 -16.802 8.434 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.773 -14.486 8.839 1.00 0.00 C ATOM 834 CZ TYR B 93 33.653 -15.780 9.301 1.00 0.00 C ATOM 835 OH TYR B 93 33.859 -16.053 10.634 1.00 0.00 O ATOM 0 H TYR B 93 33.001 -14.595 2.681 1.00 0.00 H new ATOM 0 HA TYR B 93 35.055 -14.468 4.676 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.644 -13.904 5.043 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.222 -15.582 4.764 1.00 0.00 H new ATOM 0 HD1 TYR B 93 32.863 -17.324 6.420 1.00 0.00 H new ATOM 0 HD2 TYR B 93 33.658 -13.201 7.143 1.00 0.00 H new ATOM 0 HE1 TYR B 93 33.230 -17.814 8.798 1.00 0.00 H new ATOM 0 HE2 TYR B 93 34.029 -13.688 9.520 1.00 0.00 H new ATOM 0 HH TYR B 93 34.083 -15.224 11.107 1.00 0.00 H new