USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=7 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 78:sc= -0.0212 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl -151:sc= -0.146 (180deg=-0.797) USER MOD Single : B 87 THR OG1 : rot 61:sc= -1.68! USER MOD Single : B 92 SER OG : rot 87:sc= 0.788 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.557 -5.115 -4.167 1.00 0.00 N ATOM 79 CA LEU A 75 10.804 -4.441 -4.510 1.00 0.00 C ATOM 80 C LEU A 75 11.983 -5.071 -3.776 1.00 0.00 C ATOM 81 O LEU A 75 13.079 -5.186 -4.326 1.00 0.00 O ATOM 82 CB LEU A 75 10.713 -2.952 -4.168 1.00 0.00 C ATOM 83 CG LEU A 75 9.421 -2.247 -4.581 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.519 -0.753 -4.313 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.116 -2.508 -6.049 1.00 0.00 C ATOM 0 HA LEU A 75 10.965 -4.552 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.837 -2.839 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.550 -2.439 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 75 8.603 -2.650 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.590 -0.268 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.689 -0.584 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.348 -0.335 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.193 -1.998 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.935 -2.133 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.001 -3.580 -6.212 1.00 0.00 H new ATOM 97 N ILE A 76 11.750 -5.480 -2.534 1.00 0.00 N ATOM 98 CA ILE A 76 12.793 -6.102 -1.726 1.00 0.00 C ATOM 99 C ILE A 76 13.202 -7.453 -2.303 1.00 0.00 C ATOM 100 O ILE A 76 14.388 -7.778 -2.368 1.00 0.00 O ATOM 101 CB ILE A 76 12.335 -6.296 -0.269 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.919 -4.956 0.341 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.443 -6.937 0.553 1.00 0.00 C ATOM 104 CD1 ILE A 76 13.058 -3.967 0.460 1.00 0.00 C ATOM 0 H ILE A 76 10.849 -5.392 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 76 13.650 -5.428 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 76 11.471 -6.961 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.130 -4.517 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.496 -5.132 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.104 -7.068 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.696 -7.908 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.324 -6.295 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.690 -3.040 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.839 -4.386 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.467 -3.762 -0.529 1.00 0.00 H new ATOM 116 N ILE A 77 12.213 -8.235 -2.723 1.00 0.00 N ATOM 117 CA ILE A 77 12.470 -9.549 -3.298 1.00 0.00 C ATOM 118 C ILE A 77 13.215 -9.434 -4.623 1.00 0.00 C ATOM 119 O ILE A 77 14.302 -9.988 -4.788 1.00 0.00 O ATOM 120 CB ILE A 77 11.163 -10.331 -3.522 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.568 -10.769 -2.182 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.414 -11.537 -4.416 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.395 -11.814 -1.466 1.00 0.00 C ATOM 0 H ILE A 77 11.226 -7.981 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 77 13.089 -10.090 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 77 10.447 -9.677 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.463 -9.896 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.566 -11.163 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.481 -12.080 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.797 -11.202 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.144 -12.194 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.913 -12.077 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.479 -12.703 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.390 -11.416 -1.266 1.00 0.00 H new ATOM 135 N PHE A 78 12.623 -8.708 -5.567 1.00 0.00 N ATOM 136 CA PHE A 78 13.230 -8.518 -6.879 1.00 0.00 C ATOM 137 C PHE A 78 14.582 -7.821 -6.757 1.00 0.00 C ATOM 138 O PHE A 78 15.484 -8.047 -7.562 1.00 0.00 O ATOM 139 CB PHE A 78 12.302 -7.702 -7.780 1.00 0.00 C ATOM 140 CG PHE A 78 12.939 -7.282 -9.074 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.651 -6.096 -9.158 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.827 -8.073 -10.206 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.239 -5.707 -10.346 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.413 -7.689 -11.397 1.00 0.00 C ATOM 145 CZ PHE A 78 14.119 -6.504 -11.468 1.00 0.00 C ATOM 0 H PHE A 78 11.724 -8.242 -5.447 1.00 0.00 H new ATOM 0 HA PHE A 78 13.387 -9.500 -7.325 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.410 -8.290 -7.997 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.974 -6.813 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.747 -5.468 -8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.275 -9.000 -10.157 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.792 -4.781 -10.398 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.319 -8.315 -12.272 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.576 -6.201 -12.398 1.00 0.00 H new ATOM 155 N GLY A 79 14.713 -6.971 -5.743 1.00 0.00 N ATOM 156 CA GLY A 79 15.956 -6.253 -5.533 1.00 0.00 C ATOM 157 C GLY A 79 17.084 -7.163 -5.090 1.00 0.00 C ATOM 158 O GLY A 79 18.073 -7.332 -5.804 1.00 0.00 O ATOM 0 H GLY A 79 13.980 -6.767 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.241 -5.749 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.802 -5.478 -4.782 1.00 0.00 H new ATOM 162 N VAL A 80 16.938 -7.751 -3.907 1.00 0.00 N ATOM 163 CA VAL A 80 17.953 -8.648 -3.368 1.00 0.00 C ATOM 164 C VAL A 80 18.234 -9.799 -4.328 1.00 0.00 C ATOM 165 O VAL A 80 19.369 -10.259 -4.446 1.00 0.00 O ATOM 166 CB VAL A 80 17.526 -9.224 -2.005 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.584 -10.179 -1.474 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.263 -8.102 -1.012 1.00 0.00 C ATOM 0 H VAL A 80 16.126 -7.622 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 80 18.860 -8.058 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 80 16.600 -9.784 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.265 -10.576 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.719 -11.000 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.527 -9.646 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.962 -8.527 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.171 -7.514 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.467 -7.460 -1.390 1.00 0.00 H new ATOM 178 N MET A 81 17.192 -10.259 -5.012 1.00 0.00 N ATOM 179 CA MET A 81 17.327 -11.356 -5.964 1.00 0.00 C ATOM 180 C MET A 81 18.201 -10.946 -7.145 1.00 0.00 C ATOM 181 O MET A 81 19.109 -11.677 -7.540 1.00 0.00 O ATOM 182 CB MET A 81 15.950 -11.799 -6.463 1.00 0.00 C ATOM 183 CG MET A 81 15.220 -12.717 -5.496 1.00 0.00 C ATOM 184 SD MET A 81 15.540 -14.462 -5.819 1.00 0.00 S ATOM 185 CE MET A 81 13.891 -15.144 -5.661 1.00 0.00 C ATOM 0 H MET A 81 16.245 -9.890 -4.925 1.00 0.00 H new ATOM 0 HA MET A 81 17.806 -12.191 -5.453 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.337 -10.916 -6.646 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.066 -12.310 -7.419 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.523 -12.479 -4.476 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.148 -12.530 -5.562 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.924 -16.220 -5.834 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.511 -14.949 -4.658 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.233 -14.679 -6.395 1.00 0.00 H new ATOM 195 N ALA A 82 17.921 -9.774 -7.705 1.00 0.00 N ATOM 196 CA ALA A 82 18.683 -9.267 -8.839 1.00 0.00 C ATOM 197 C ALA A 82 20.142 -9.038 -8.462 1.00 0.00 C ATOM 198 O ALA A 82 21.047 -9.301 -9.253 1.00 0.00 O ATOM 199 CB ALA A 82 18.061 -7.979 -9.359 1.00 0.00 C ATOM 0 H ALA A 82 17.171 -9.157 -7.391 1.00 0.00 H new ATOM 0 HA ALA A 82 18.653 -10.017 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.640 -7.611 -10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.036 -8.172 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.060 -7.230 -8.567 1.00 0.00 H new ATOM 205 N GLY A 83 20.364 -8.545 -7.247 1.00 0.00 N ATOM 206 CA GLY A 83 21.716 -8.289 -6.786 1.00 0.00 C ATOM 207 C GLY A 83 22.475 -9.564 -6.475 1.00 0.00 C ATOM 208 O GLY A 83 23.545 -9.810 -7.031 1.00 0.00 O ATOM 0 H GLY A 83 19.632 -8.318 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.255 -7.726 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.680 -7.665 -5.893 1.00 0.00 H new ATOM 212 N VAL A 84 21.920 -10.377 -5.581 1.00 0.00 N ATOM 213 CA VAL A 84 22.551 -11.633 -5.196 1.00 0.00 C ATOM 214 C VAL A 84 22.838 -12.501 -6.416 1.00 0.00 C ATOM 215 O VAL A 84 23.958 -12.979 -6.601 1.00 0.00 O ATOM 216 CB VAL A 84 21.670 -12.425 -4.211 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.306 -13.768 -3.887 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.431 -11.619 -2.944 1.00 0.00 C ATOM 0 H VAL A 84 21.035 -10.188 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 84 23.491 -11.378 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 84 20.705 -12.612 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.670 -14.313 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.420 -14.347 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.285 -13.607 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.807 -12.194 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.386 -11.400 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.928 -10.685 -3.196 1.00 0.00 H new ATOM 228 N ILE A 85 21.819 -12.701 -7.245 1.00 0.00 N ATOM 229 CA ILE A 85 21.962 -13.510 -8.449 1.00 0.00 C ATOM 230 C ILE A 85 23.013 -12.922 -9.385 1.00 0.00 C ATOM 231 O ILE A 85 23.913 -13.624 -9.844 1.00 0.00 O ATOM 232 CB ILE A 85 20.627 -13.634 -9.207 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.607 -14.402 -8.364 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.840 -14.321 -10.547 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.983 -15.848 -8.130 1.00 0.00 C ATOM 0 H ILE A 85 20.886 -12.314 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 85 22.280 -14.501 -8.126 1.00 0.00 H new ATOM 0 HB ILE A 85 20.237 -12.633 -9.393 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.495 -13.904 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.636 -14.363 -8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.887 -14.401 -11.070 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.537 -13.737 -11.149 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.249 -15.318 -10.384 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.215 -16.330 -7.525 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.067 -16.362 -9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.939 -15.896 -7.608 1.00 0.00 H new ATOM 247 N GLY A 86 22.892 -11.628 -9.663 1.00 0.00 N ATOM 248 CA GLY A 86 23.838 -10.966 -10.542 1.00 0.00 C ATOM 249 C GLY A 86 25.264 -11.061 -10.036 1.00 0.00 C ATOM 250 O GLY A 86 26.194 -11.277 -10.813 1.00 0.00 O ATOM 0 H GLY A 86 22.155 -11.026 -9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.778 -11.410 -11.536 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.561 -9.917 -10.644 1.00 0.00 H new ATOM 254 N THR A 87 25.438 -10.897 -8.728 1.00 0.00 N ATOM 255 CA THR A 87 26.760 -10.962 -8.119 1.00 0.00 C ATOM 256 C THR A 87 27.381 -12.342 -8.300 1.00 0.00 C ATOM 257 O THR A 87 28.454 -12.478 -8.889 1.00 0.00 O ATOM 258 CB THR A 87 26.703 -10.631 -6.616 1.00 0.00 C ATOM 259 OG1 THR A 87 26.121 -9.337 -6.421 1.00 0.00 O ATOM 260 CG2 THR A 87 28.094 -10.664 -6.001 1.00 0.00 C ATOM 0 H THR A 87 24.679 -10.718 -8.070 1.00 0.00 H new ATOM 0 HA THR A 87 27.377 -10.219 -8.624 1.00 0.00 H new ATOM 0 HB THR A 87 26.087 -11.384 -6.124 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.148 -9.397 -6.524 1.00 0.00 H new ATOM 0 HG21 THR A 87 28.028 -10.427 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.523 -11.658 -6.125 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.729 -9.930 -6.498 1.00 0.00 H new ATOM 268 N ILE A 88 26.701 -13.364 -7.792 1.00 0.00 N ATOM 269 CA ILE A 88 27.186 -14.734 -7.900 1.00 0.00 C ATOM 270 C ILE A 88 27.477 -15.101 -9.351 1.00 0.00 C ATOM 271 O ILE A 88 28.504 -15.711 -9.655 1.00 0.00 O ATOM 272 CB ILE A 88 26.171 -15.738 -7.322 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.878 -15.413 -5.856 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.695 -17.160 -7.461 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.749 -16.233 -5.269 1.00 0.00 C ATOM 0 H ILE A 88 25.812 -13.269 -7.301 1.00 0.00 H new ATOM 0 HA ILE A 88 28.108 -14.789 -7.322 1.00 0.00 H new ATOM 0 HB ILE A 88 25.241 -15.658 -7.885 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.781 -15.579 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.631 -14.355 -5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.967 -17.858 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.858 -17.386 -8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.636 -17.255 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.597 -15.950 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.834 -16.049 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 88 25.002 -17.292 -5.324 1.00 0.00 H new ATOM 287 N LEU A 89 26.569 -14.725 -10.244 1.00 0.00 N ATOM 288 CA LEU A 89 26.729 -15.013 -11.665 1.00 0.00 C ATOM 289 C LEU A 89 28.040 -14.439 -12.193 1.00 0.00 C ATOM 290 O LEU A 89 28.826 -15.142 -12.830 1.00 0.00 O ATOM 291 CB LEU A 89 25.553 -14.439 -12.457 1.00 0.00 C ATOM 292 CG LEU A 89 24.268 -15.267 -12.446 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.145 -14.520 -13.149 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.501 -16.622 -13.100 1.00 0.00 C ATOM 0 H LEU A 89 25.714 -14.220 -10.010 1.00 0.00 H new ATOM 0 HA LEU A 89 26.751 -16.096 -11.791 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.326 -13.448 -12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.868 -14.308 -13.492 1.00 0.00 H new ATOM 0 HG LEU A 89 23.974 -15.432 -11.409 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.239 -15.125 -13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.961 -13.575 -12.638 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.430 -14.324 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.576 -17.198 -13.083 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.820 -16.478 -14.132 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.274 -17.162 -12.553 1.00 0.00 H new ATOM 306 N LEU A 90 28.271 -13.159 -11.923 1.00 0.00 N ATOM 307 CA LEU A 90 29.489 -12.491 -12.368 1.00 0.00 C ATOM 308 C LEU A 90 30.726 -13.177 -11.797 1.00 0.00 C ATOM 309 O LEU A 90 31.721 -13.368 -12.497 1.00 0.00 O ATOM 310 CB LEU A 90 29.469 -11.020 -11.950 1.00 0.00 C ATOM 311 CG LEU A 90 30.218 -10.052 -12.867 1.00 0.00 C ATOM 312 CD1 LEU A 90 31.707 -10.361 -12.868 1.00 0.00 C ATOM 313 CD2 LEU A 90 29.657 -10.114 -14.280 1.00 0.00 C ATOM 0 H LEU A 90 27.631 -12.563 -11.398 1.00 0.00 H new ATOM 0 HA LEU A 90 29.531 -12.553 -13.455 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.430 -10.696 -11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.892 -10.942 -10.949 1.00 0.00 H new ATOM 0 HG LEU A 90 30.079 -9.040 -12.487 1.00 0.00 H new ATOM 0 HD11 LEU A 90 32.223 -9.662 -13.526 1.00 0.00 H new ATOM 0 HD12 LEU A 90 32.099 -10.264 -11.856 1.00 0.00 H new ATOM 0 HD13 LEU A 90 31.867 -11.379 -13.223 1.00 0.00 H new ATOM 0 HD21 LEU A 90 30.202 -9.419 -14.919 1.00 0.00 H new ATOM 0 HD22 LEU A 90 29.765 -11.126 -14.670 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.602 -9.842 -14.265 1.00 0.00 H new ATOM 325 N ILE A 91 30.656 -13.547 -10.523 1.00 0.00 N ATOM 326 CA ILE A 91 31.769 -14.215 -9.860 1.00 0.00 C ATOM 327 C ILE A 91 32.029 -15.588 -10.469 1.00 0.00 C ATOM 328 O ILE A 91 33.089 -15.833 -11.044 1.00 0.00 O ATOM 329 CB ILE A 91 31.510 -14.376 -8.350 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.344 -13.006 -7.689 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.645 -15.151 -7.698 1.00 0.00 C ATOM 332 CD1 ILE A 91 32.627 -12.207 -7.626 1.00 0.00 C ATOM 0 H ILE A 91 29.841 -13.396 -9.929 1.00 0.00 H new ATOM 0 HA ILE A 91 32.646 -13.585 -10.005 1.00 0.00 H new ATOM 0 HB ILE A 91 30.586 -14.938 -8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 91 30.596 -12.435 -8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.961 -13.143 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.448 -15.257 -6.631 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.719 -16.139 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.582 -14.614 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 91 32.435 -11.248 -7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 91 33.371 -12.758 -7.051 1.00 0.00 H new ATOM 0 HD13 ILE A 91 33.001 -12.038 -8.636 1.00 0.00 H new ATOM 344 N SER A 92 31.052 -16.481 -10.341 1.00 0.00 N ATOM 345 CA SER A 92 31.175 -17.831 -10.878 1.00 0.00 C ATOM 346 C SER A 92 31.591 -17.797 -12.345 1.00 0.00 C ATOM 347 O SER A 92 32.269 -18.702 -12.832 1.00 0.00 O ATOM 348 CB SER A 92 29.853 -18.585 -10.728 1.00 0.00 C ATOM 349 OG SER A 92 30.065 -19.985 -10.691 1.00 0.00 O ATOM 0 H SER A 92 30.167 -16.294 -9.870 1.00 0.00 H new ATOM 0 HA SER A 92 31.948 -18.351 -10.312 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.351 -18.266 -9.815 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.193 -18.336 -11.559 1.00 0.00 H new ATOM 0 HG SER A 92 29.205 -20.444 -10.593 1.00 0.00 H new ATOM 355 N TYR A 93 31.179 -16.746 -13.045 1.00 0.00 N ATOM 356 CA TYR A 93 31.505 -16.593 -14.458 1.00 0.00 C ATOM 357 C TYR A 93 32.988 -16.289 -14.645 1.00 0.00 C ATOM 358 O TYR A 93 33.677 -16.953 -15.418 1.00 0.00 O ATOM 359 CB TYR A 93 30.661 -15.479 -15.080 1.00 0.00 C ATOM 360 CG TYR A 93 30.858 -15.332 -16.572 1.00 0.00 C ATOM 361 CD1 TYR A 93 30.156 -16.130 -17.467 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.744 -14.394 -17.087 1.00 0.00 C ATOM 363 CE1 TYR A 93 30.333 -16.000 -18.831 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.927 -14.255 -18.450 1.00 0.00 C ATOM 365 CZ TYR A 93 31.219 -15.061 -19.317 1.00 0.00 C ATOM 366 OH TYR A 93 31.397 -14.927 -20.675 1.00 0.00 O ATOM 0 H TYR A 93 30.619 -15.987 -12.657 1.00 0.00 H new ATOM 0 HA TYR A 93 31.280 -17.533 -14.961 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.608 -15.677 -14.879 1.00 0.00 H new ATOM 0 HB3 TYR A 93 30.906 -14.534 -14.595 1.00 0.00 H new ATOM 0 HD1 TYR A 93 29.460 -16.865 -17.090 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.300 -13.762 -16.410 1.00 0.00 H new ATOM 0 HE1 TYR A 93 29.781 -16.630 -19.513 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.620 -13.520 -18.833 1.00 0.00 H new ATOM 0 HH TYR A 93 32.054 -14.221 -20.851 1.00 0.00 H new ATOM 547 N LEU B 75 13.736 0.991 -1.276 1.00 0.00 N ATOM 548 CA LEU B 75 13.641 -0.456 -1.111 1.00 0.00 C ATOM 549 C LEU B 75 14.582 -1.177 -2.071 1.00 0.00 C ATOM 550 O LEU B 75 15.184 -2.191 -1.719 1.00 0.00 O ATOM 551 CB LEU B 75 12.202 -0.921 -1.342 1.00 0.00 C ATOM 552 CG LEU B 75 11.109 -0.071 -0.694 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.732 -0.605 -1.057 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.287 -0.035 0.817 1.00 0.00 C ATOM 0 HA LEU B 75 13.936 -0.701 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.020 -0.953 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.108 -1.942 -0.972 1.00 0.00 H new ATOM 0 HG LEU B 75 11.194 0.947 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.967 0.013 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.605 -0.579 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.636 -1.632 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.500 0.574 1.262 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.229 -1.048 1.214 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.259 0.395 1.059 1.00 0.00 H new ATOM 566 N ILE B 76 14.704 -0.645 -3.282 1.00 0.00 N ATOM 567 CA ILE B 76 15.574 -1.237 -4.291 1.00 0.00 C ATOM 568 C ILE B 76 17.041 -1.099 -3.900 1.00 0.00 C ATOM 569 O ILE B 76 17.829 -2.031 -4.069 1.00 0.00 O ATOM 570 CB ILE B 76 15.359 -0.587 -5.671 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.879 -0.628 -6.053 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.204 -1.288 -6.724 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.549 0.191 -7.281 1.00 0.00 C ATOM 0 H ILE B 76 14.212 0.194 -3.589 1.00 0.00 H new ATOM 0 HA ILE B 76 15.314 -2.294 -4.352 1.00 0.00 H new ATOM 0 HB ILE B 76 15.672 0.456 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.586 -1.663 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.285 -0.265 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.041 -0.817 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.258 -1.211 -6.456 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.919 -2.339 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.482 0.115 -7.493 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.811 1.234 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE B 76 14.116 -0.186 -8.133 1.00 0.00 H new ATOM 585 N ILE B 77 17.401 0.066 -3.374 1.00 0.00 N ATOM 586 CA ILE B 77 18.773 0.324 -2.955 1.00 0.00 C ATOM 587 C ILE B 77 19.162 -0.556 -1.772 1.00 0.00 C ATOM 588 O ILE B 77 20.126 -1.319 -1.843 1.00 0.00 O ATOM 589 CB ILE B 77 18.976 1.801 -2.569 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.961 2.684 -3.819 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.282 1.975 -1.807 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.153 2.469 -4.725 1.00 0.00 C ATOM 0 H ILE B 77 16.761 0.847 -3.228 1.00 0.00 H new ATOM 0 HA ILE B 77 19.412 0.088 -3.806 1.00 0.00 H new ATOM 0 HB ILE B 77 18.156 2.108 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.048 2.489 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.930 3.730 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.411 3.024 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.257 1.371 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.114 1.654 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE B 77 20.076 3.128 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.070 2.693 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.174 1.432 -5.059 1.00 0.00 H new ATOM 604 N PHE B 78 18.404 -0.447 -0.686 1.00 0.00 N ATOM 605 CA PHE B 78 18.668 -1.234 0.513 1.00 0.00 C ATOM 606 C PHE B 78 18.558 -2.727 0.218 1.00 0.00 C ATOM 607 O PHE B 78 19.250 -3.543 0.825 1.00 0.00 O ATOM 608 CB PHE B 78 17.693 -0.849 1.627 1.00 0.00 C ATOM 609 CG PHE B 78 17.771 -1.746 2.829 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.008 -2.900 2.899 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.608 -1.435 3.888 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.078 -3.727 4.005 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.682 -2.258 4.996 1.00 0.00 C ATOM 614 CZ PHE B 78 17.917 -3.406 5.054 1.00 0.00 C ATOM 0 H PHE B 78 17.602 0.179 -0.612 1.00 0.00 H new ATOM 0 HA PHE B 78 19.685 -1.020 0.841 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.894 0.177 1.936 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.677 -0.871 1.233 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.351 -3.157 2.081 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.210 -0.539 3.847 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.477 -4.623 4.048 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.338 -2.003 5.816 1.00 0.00 H new ATOM 0 HZ PHE B 78 17.975 -4.052 5.918 1.00 0.00 H new ATOM 624 N GLY B 79 17.681 -3.077 -0.718 1.00 0.00 N ATOM 625 CA GLY B 79 17.495 -4.471 -1.077 1.00 0.00 C ATOM 626 C GLY B 79 18.699 -5.051 -1.791 1.00 0.00 C ATOM 627 O GLY B 79 19.349 -5.966 -1.285 1.00 0.00 O ATOM 0 H GLY B 79 17.096 -2.420 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.296 -5.052 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.617 -4.564 -1.717 1.00 0.00 H new ATOM 631 N VAL B 80 18.998 -4.520 -2.973 1.00 0.00 N ATOM 632 CA VAL B 80 20.131 -4.992 -3.759 1.00 0.00 C ATOM 633 C VAL B 80 21.429 -4.893 -2.965 1.00 0.00 C ATOM 634 O VAL B 80 22.312 -5.740 -3.091 1.00 0.00 O ATOM 635 CB VAL B 80 20.279 -4.192 -5.066 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.460 -4.707 -5.877 1.00 0.00 C ATOM 637 CG2 VAL B 80 18.995 -4.258 -5.879 1.00 0.00 C ATOM 0 H VAL B 80 18.471 -3.762 -3.407 1.00 0.00 H new ATOM 0 HA VAL B 80 19.936 -6.037 -4.002 1.00 0.00 H new ATOM 0 HB VAL B 80 20.469 -3.149 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.549 -4.130 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.375 -4.603 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.303 -5.758 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.117 -3.687 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.772 -5.297 -6.123 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.174 -3.838 -5.298 1.00 0.00 H new ATOM 647 N MET B 81 21.538 -3.851 -2.147 1.00 0.00 N ATOM 648 CA MET B 81 22.728 -3.641 -1.331 1.00 0.00 C ATOM 649 C MET B 81 22.881 -4.753 -0.297 1.00 0.00 C ATOM 650 O MET B 81 23.963 -5.316 -0.133 1.00 0.00 O ATOM 651 CB MET B 81 22.660 -2.283 -0.630 1.00 0.00 C ATOM 652 CG MET B 81 23.052 -1.118 -1.524 1.00 0.00 C ATOM 653 SD MET B 81 24.633 -0.386 -1.058 1.00 0.00 S ATOM 654 CE MET B 81 24.266 0.186 0.599 1.00 0.00 C ATOM 0 H MET B 81 20.817 -3.139 -2.032 1.00 0.00 H new ATOM 0 HA MET B 81 23.597 -3.658 -1.989 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.646 -2.123 -0.262 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.316 -2.299 0.240 1.00 0.00 H new ATOM 0 HG2 MET B 81 23.105 -1.460 -2.558 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.276 -0.354 -1.480 1.00 0.00 H new ATOM 0 HE1 MET B 81 24.880 1.057 0.828 1.00 0.00 H new ATOM 0 HE2 MET B 81 23.213 0.458 0.665 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.481 -0.608 1.314 1.00 0.00 H new ATOM 664 N ALA B 82 21.791 -5.062 0.398 1.00 0.00 N ATOM 665 CA ALA B 82 21.805 -6.107 1.414 1.00 0.00 C ATOM 666 C ALA B 82 22.117 -7.467 0.799 1.00 0.00 C ATOM 667 O ALA B 82 22.826 -8.280 1.391 1.00 0.00 O ATOM 668 CB ALA B 82 20.471 -6.150 2.145 1.00 0.00 C ATOM 0 H ALA B 82 20.888 -4.604 0.276 1.00 0.00 H new ATOM 0 HA ALA B 82 22.592 -5.872 2.130 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.495 -6.935 2.901 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.288 -5.189 2.626 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.672 -6.357 1.433 1.00 0.00 H new ATOM 674 N GLY B 83 21.582 -7.709 -0.394 1.00 0.00 N ATOM 675 CA GLY B 83 21.814 -8.973 -1.069 1.00 0.00 C ATOM 676 C GLY B 83 23.222 -9.085 -1.620 1.00 0.00 C ATOM 677 O GLY B 83 23.952 -10.021 -1.293 1.00 0.00 O ATOM 0 H GLY B 83 20.992 -7.052 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.633 -9.792 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.098 -9.083 -1.884 1.00 0.00 H new ATOM 681 N VAL B 84 23.605 -8.130 -2.461 1.00 0.00 N ATOM 682 CA VAL B 84 24.935 -8.126 -3.060 1.00 0.00 C ATOM 683 C VAL B 84 26.019 -8.189 -1.990 1.00 0.00 C ATOM 684 O VAL B 84 26.943 -8.998 -2.076 1.00 0.00 O ATOM 685 CB VAL B 84 25.156 -6.872 -3.926 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.575 -6.845 -4.474 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.139 -6.818 -5.055 1.00 0.00 C ATOM 0 H VAL B 84 23.013 -7.349 -2.743 1.00 0.00 H new ATOM 0 HA VAL B 84 25.001 -9.011 -3.692 1.00 0.00 H new ATOM 0 HB VAL B 84 25.017 -5.991 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.713 -5.952 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.284 -6.833 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.746 -7.731 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.310 -5.925 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.244 -7.704 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.133 -6.786 -4.637 1.00 0.00 H new ATOM 697 N ILE B 85 25.899 -7.332 -0.982 1.00 0.00 N ATOM 698 CA ILE B 85 26.868 -7.292 0.106 1.00 0.00 C ATOM 699 C ILE B 85 26.872 -8.601 0.888 1.00 0.00 C ATOM 700 O ILE B 85 27.927 -9.169 1.165 1.00 0.00 O ATOM 701 CB ILE B 85 26.581 -6.130 1.074 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.762 -4.787 0.363 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.489 -6.217 2.292 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.190 -4.513 -0.054 1.00 0.00 C ATOM 0 H ILE B 85 25.140 -6.656 -0.896 1.00 0.00 H new ATOM 0 HA ILE B 85 27.847 -7.141 -0.350 1.00 0.00 H new ATOM 0 HB ILE B 85 25.547 -6.205 1.410 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.123 -4.763 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.425 -3.987 1.022 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.273 -5.388 2.966 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.315 -7.161 2.809 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.530 -6.165 1.974 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.244 -3.545 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.831 -4.504 0.827 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.525 -5.292 -0.739 1.00 0.00 H new ATOM 716 N GLY B 86 25.681 -9.077 1.239 1.00 0.00 N ATOM 717 CA GLY B 86 25.568 -10.318 1.984 1.00 0.00 C ATOM 718 C GLY B 86 26.164 -11.497 1.241 1.00 0.00 C ATOM 719 O GLY B 86 26.777 -12.377 1.845 1.00 0.00 O ATOM 0 H GLY B 86 24.793 -8.626 1.021 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.069 -10.208 2.946 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.517 -10.518 2.193 1.00 0.00 H new ATOM 723 N THR B 87 25.982 -11.517 -0.076 1.00 0.00 N ATOM 724 CA THR B 87 26.503 -12.598 -0.903 1.00 0.00 C ATOM 725 C THR B 87 28.025 -12.560 -0.963 1.00 0.00 C ATOM 726 O THR B 87 28.695 -13.517 -0.572 1.00 0.00 O ATOM 727 CB THR B 87 25.942 -12.529 -2.336 1.00 0.00 C ATOM 728 OG1 THR B 87 24.513 -12.448 -2.300 1.00 0.00 O ATOM 729 CG2 THR B 87 26.366 -13.748 -3.142 1.00 0.00 C ATOM 0 H THR B 87 25.478 -10.796 -0.592 1.00 0.00 H new ATOM 0 HA THR B 87 26.184 -13.532 -0.440 1.00 0.00 H new ATOM 0 HB THR B 87 26.343 -11.637 -2.817 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.243 -11.636 -1.822 1.00 0.00 H new ATOM 0 HG21 THR B 87 25.958 -13.677 -4.150 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.454 -13.790 -3.193 1.00 0.00 H new ATOM 0 HG23 THR B 87 25.990 -14.651 -2.661 1.00 0.00 H new ATOM 737 N ILE B 88 28.566 -11.450 -1.453 1.00 0.00 N ATOM 738 CA ILE B 88 30.011 -11.287 -1.561 1.00 0.00 C ATOM 739 C ILE B 88 30.692 -11.513 -0.215 1.00 0.00 C ATOM 740 O ILE B 88 31.774 -12.096 -0.145 1.00 0.00 O ATOM 741 CB ILE B 88 30.382 -9.887 -2.083 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.716 -9.630 -3.437 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.893 -9.747 -2.195 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.836 -8.197 -3.907 1.00 0.00 C ATOM 0 H ILE B 88 28.026 -10.650 -1.782 1.00 0.00 H new ATOM 0 HA ILE B 88 30.361 -12.035 -2.272 1.00 0.00 H new ATOM 0 HB ILE B 88 30.019 -9.143 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.163 -10.287 -4.183 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.661 -9.895 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.140 -8.752 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.346 -9.892 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.278 -10.497 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.342 -8.088 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.364 -7.535 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE B 88 30.889 -7.934 -4.007 1.00 0.00 H new ATOM 756 N LEU B 89 30.050 -11.049 0.851 1.00 0.00 N ATOM 757 CA LEU B 89 30.592 -11.202 2.197 1.00 0.00 C ATOM 758 C LEU B 89 30.654 -12.673 2.595 1.00 0.00 C ATOM 759 O LEU B 89 31.712 -13.182 2.968 1.00 0.00 O ATOM 760 CB LEU B 89 29.741 -10.424 3.202 1.00 0.00 C ATOM 761 CG LEU B 89 30.058 -8.935 3.340 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.066 -8.263 4.276 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.482 -8.736 3.837 1.00 0.00 C ATOM 0 H LEU B 89 29.154 -10.564 0.810 1.00 0.00 H new ATOM 0 HA LEU B 89 31.606 -10.801 2.202 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.694 -10.527 2.917 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.853 -10.891 4.181 1.00 0.00 H new ATOM 0 HG LEU B 89 29.970 -8.472 2.357 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.307 -7.204 4.362 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.057 -8.374 3.878 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.121 -8.729 5.260 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.690 -7.670 3.929 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.598 -9.214 4.810 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.180 -9.182 3.129 1.00 0.00 H new ATOM 775 N LEU B 90 29.515 -13.351 2.513 1.00 0.00 N ATOM 776 CA LEU B 90 29.439 -14.765 2.863 1.00 0.00 C ATOM 777 C LEU B 90 30.476 -15.574 2.090 1.00 0.00 C ATOM 778 O LEU B 90 31.215 -16.370 2.670 1.00 0.00 O ATOM 779 CB LEU B 90 28.037 -15.307 2.578 1.00 0.00 C ATOM 780 CG LEU B 90 27.564 -16.450 3.476 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.050 -16.427 3.616 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.030 -17.790 2.926 1.00 0.00 C ATOM 0 H LEU B 90 28.631 -12.944 2.207 1.00 0.00 H new ATOM 0 HA LEU B 90 29.650 -14.862 3.928 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.327 -14.485 2.666 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.004 -15.647 1.543 1.00 0.00 H new ATOM 0 HG LEU B 90 28.002 -16.314 4.465 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.732 -17.248 4.259 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.740 -15.480 4.057 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.592 -16.537 2.633 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.684 -18.591 3.579 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.622 -17.935 1.926 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.119 -17.805 2.879 1.00 0.00 H new ATOM 794 N ILE B 91 30.527 -15.362 0.779 1.00 0.00 N ATOM 795 CA ILE B 91 31.476 -16.068 -0.072 1.00 0.00 C ATOM 796 C ILE B 91 32.913 -15.696 0.279 1.00 0.00 C ATOM 797 O ILE B 91 33.732 -16.562 0.587 1.00 0.00 O ATOM 798 CB ILE B 91 31.229 -15.766 -1.562 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.810 -16.179 -1.960 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.256 -16.483 -2.425 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.485 -15.902 -3.411 1.00 0.00 C ATOM 0 H ILE B 91 29.922 -14.707 0.284 1.00 0.00 H new ATOM 0 HA ILE B 91 31.326 -17.133 0.105 1.00 0.00 H new ATOM 0 HB ILE B 91 31.334 -14.693 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.682 -17.244 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.096 -15.650 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.068 -16.260 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.257 -16.146 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.180 -17.558 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.464 -16.220 -3.622 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.581 -14.834 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.176 -16.452 -4.050 1.00 0.00 H new ATOM 813 N SER B 92 33.211 -14.402 0.232 1.00 0.00 N ATOM 814 CA SER B 92 34.550 -13.914 0.544 1.00 0.00 C ATOM 815 C SER B 92 35.001 -14.406 1.915 1.00 0.00 C ATOM 816 O SER B 92 36.198 -14.529 2.180 1.00 0.00 O ATOM 817 CB SER B 92 34.581 -12.385 0.502 1.00 0.00 C ATOM 818 OG SER B 92 34.409 -11.908 -0.821 1.00 0.00 O ATOM 0 H SER B 92 32.544 -13.672 -0.019 1.00 0.00 H new ATOM 0 HA SER B 92 35.237 -14.305 -0.207 1.00 0.00 H new ATOM 0 HB2 SER B 92 33.794 -11.984 1.142 1.00 0.00 H new ATOM 0 HB3 SER B 92 35.530 -12.026 0.901 1.00 0.00 H new ATOM 0 HG SER B 92 33.452 -11.821 -1.015 1.00 0.00 H new ATOM 824 N TYR B 93 34.036 -14.685 2.784 1.00 0.00 N ATOM 825 CA TYR B 93 34.333 -15.162 4.130 1.00 0.00 C ATOM 826 C TYR B 93 34.772 -16.623 4.106 1.00 0.00 C ATOM 827 O TYR B 93 35.710 -17.012 4.800 1.00 0.00 O ATOM 828 CB TYR B 93 33.109 -15.000 5.032 1.00 0.00 C ATOM 829 CG TYR B 93 33.423 -15.124 6.506 1.00 0.00 C ATOM 830 CD1 TYR B 93 34.357 -14.292 7.111 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.784 -16.073 7.295 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.647 -14.403 8.457 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.067 -16.191 8.642 1.00 0.00 C ATOM 834 CZ TYR B 93 33.999 -15.354 9.218 1.00 0.00 C ATOM 835 OH TYR B 93 34.285 -15.466 10.559 1.00 0.00 O ATOM 0 H TYR B 93 33.041 -14.589 2.581 1.00 0.00 H new ATOM 0 HA TYR B 93 35.152 -14.563 4.528 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.657 -14.026 4.846 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.367 -15.752 4.762 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.865 -13.546 6.519 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.053 -16.730 6.847 1.00 0.00 H new ATOM 0 HE1 TYR B 93 35.377 -13.749 8.911 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.561 -16.934 9.240 1.00 0.00 H new ATOM 0 HH TYR B 93 33.743 -16.182 10.950 1.00 0.00 H new