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 57:sc= -0.369! 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 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 64:sc= -0.578! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.574 -4.997 -4.185 1.00 0.00 N ATOM 79 CA LEU A 75 10.832 -4.329 -4.500 1.00 0.00 C ATOM 80 C LEU A 75 11.995 -4.981 -3.759 1.00 0.00 C ATOM 81 O LEU A 75 13.094 -5.107 -4.299 1.00 0.00 O ATOM 82 CB LEU A 75 10.749 -2.845 -4.138 1.00 0.00 C ATOM 83 CG LEU A 75 9.599 -2.062 -4.773 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.403 -0.732 -4.063 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.858 -1.845 -6.257 1.00 0.00 C ATOM 0 HA LEU A 75 11.008 -4.426 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.665 -2.760 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.687 -2.369 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 75 8.684 -2.645 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.581 -0.189 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.171 -0.911 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.316 -0.142 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.030 -1.286 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.783 -1.283 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.947 -2.810 -6.756 1.00 0.00 H new ATOM 97 N ILE A 76 11.744 -5.394 -2.521 1.00 0.00 N ATOM 98 CA ILE A 76 12.769 -6.035 -1.708 1.00 0.00 C ATOM 99 C ILE A 76 13.166 -7.388 -2.290 1.00 0.00 C ATOM 100 O ILE A 76 14.349 -7.726 -2.349 1.00 0.00 O ATOM 101 CB ILE A 76 12.295 -6.233 -0.256 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.886 -4.892 0.357 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.387 -6.891 0.574 1.00 0.00 C ATOM 104 CD1 ILE A 76 13.038 -3.925 0.517 1.00 0.00 C ATOM 0 H ILE A 76 10.840 -5.296 -2.060 1.00 0.00 H new ATOM 0 HA ILE A 76 13.634 -5.372 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 76 11.425 -6.890 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.121 -4.433 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.434 -5.070 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.036 -7.024 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.634 -7.863 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.275 -6.259 0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.675 -2.996 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.794 -4.364 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.477 -3.717 -0.459 1.00 0.00 H new ATOM 116 N ILE A 77 12.171 -8.156 -2.720 1.00 0.00 N ATOM 117 CA ILE A 77 12.416 -9.470 -3.300 1.00 0.00 C ATOM 118 C ILE A 77 13.172 -9.356 -4.619 1.00 0.00 C ATOM 119 O ILE A 77 14.259 -9.913 -4.775 1.00 0.00 O ATOM 120 CB ILE A 77 11.101 -10.234 -3.540 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.506 -10.699 -2.209 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.338 -11.420 -4.462 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.326 -11.767 -1.520 1.00 0.00 C ATOM 0 H ILE A 77 11.187 -7.891 -2.678 1.00 0.00 H new ATOM 0 HA ILE A 77 13.022 -10.023 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 77 10.390 -9.562 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.410 -9.841 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.500 -11.081 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.399 -11.950 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.722 -11.066 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.063 -12.095 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.844 -12.048 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.401 -12.642 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.325 -11.382 -1.313 1.00 0.00 H new ATOM 135 N PHE A 78 12.591 -8.628 -5.567 1.00 0.00 N ATOM 136 CA PHE A 78 13.210 -8.439 -6.874 1.00 0.00 C ATOM 137 C PHE A 78 14.567 -7.755 -6.739 1.00 0.00 C ATOM 138 O PHE A 78 15.473 -7.986 -7.539 1.00 0.00 O ATOM 139 CB PHE A 78 12.296 -7.611 -7.780 1.00 0.00 C ATOM 140 CG PHE A 78 12.940 -7.212 -9.077 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.679 -6.044 -9.169 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.805 -8.006 -10.205 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.273 -5.674 -10.361 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.397 -7.641 -11.400 1.00 0.00 C ATOM 145 CZ PHE A 78 14.131 -6.474 -11.478 1.00 0.00 C ATOM 0 H PHE A 78 11.692 -8.159 -5.455 1.00 0.00 H new ATOM 0 HA PHE A 78 13.361 -9.421 -7.322 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.393 -8.184 -7.993 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.985 -6.713 -7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.792 -5.415 -8.299 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.231 -8.919 -10.150 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.847 -4.761 -10.419 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.285 -8.268 -12.272 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.593 -6.187 -12.411 1.00 0.00 H new ATOM 155 N GLY A 79 14.699 -6.911 -5.720 1.00 0.00 N ATOM 156 CA GLY A 79 15.947 -6.205 -5.499 1.00 0.00 C ATOM 157 C GLY A 79 17.065 -7.128 -5.056 1.00 0.00 C ATOM 158 O GLY A 79 18.055 -7.301 -5.767 1.00 0.00 O ATOM 0 H GLY A 79 13.964 -6.704 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.241 -5.698 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.796 -5.434 -4.744 1.00 0.00 H new ATOM 162 N VAL A 80 16.908 -7.722 -3.877 1.00 0.00 N ATOM 163 CA VAL A 80 17.912 -8.632 -3.340 1.00 0.00 C ATOM 164 C VAL A 80 18.191 -9.776 -4.308 1.00 0.00 C ATOM 165 O VAL A 80 19.324 -10.243 -4.424 1.00 0.00 O ATOM 166 CB VAL A 80 17.472 -9.217 -1.985 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.522 -10.180 -1.452 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.204 -8.101 -0.986 1.00 0.00 C ATOM 0 H VAL A 80 16.095 -7.589 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 80 18.823 -8.050 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 80 16.546 -9.773 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.193 -10.583 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.660 -10.996 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.466 -9.652 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.894 -8.532 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.112 -7.516 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.413 -7.454 -1.366 1.00 0.00 H new ATOM 178 N MET A 81 17.149 -10.224 -5.002 1.00 0.00 N ATOM 179 CA MET A 81 17.283 -11.313 -5.962 1.00 0.00 C ATOM 180 C MET A 81 18.167 -10.900 -7.134 1.00 0.00 C ATOM 181 O MET A 81 19.068 -11.636 -7.534 1.00 0.00 O ATOM 182 CB MET A 81 15.906 -11.742 -6.474 1.00 0.00 C ATOM 183 CG MET A 81 15.170 -12.677 -5.527 1.00 0.00 C ATOM 184 SD MET A 81 15.384 -14.414 -5.961 1.00 0.00 S ATOM 185 CE MET A 81 15.769 -15.118 -4.360 1.00 0.00 C ATOM 0 H MET A 81 16.204 -9.850 -4.917 1.00 0.00 H new ATOM 0 HA MET A 81 17.753 -12.155 -5.454 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.297 -10.854 -6.641 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.023 -12.234 -7.439 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.528 -12.514 -4.510 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.108 -12.433 -5.534 1.00 0.00 H new ATOM 0 HE1 MET A 81 15.929 -16.191 -4.463 1.00 0.00 H new ATOM 0 HE2 MET A 81 16.672 -14.653 -3.966 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.940 -14.939 -3.675 1.00 0.00 H new ATOM 195 N ALA A 82 17.903 -9.717 -7.681 1.00 0.00 N ATOM 196 CA ALA A 82 18.676 -9.206 -8.806 1.00 0.00 C ATOM 197 C ALA A 82 20.136 -8.995 -8.418 1.00 0.00 C ATOM 198 O ALA A 82 21.042 -9.257 -9.208 1.00 0.00 O ATOM 199 CB ALA A 82 18.070 -7.906 -9.315 1.00 0.00 C ATOM 0 H ALA A 82 17.160 -9.095 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 82 18.643 -9.947 -9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.657 -7.535 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.045 -8.085 -9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.073 -7.165 -8.515 1.00 0.00 H new ATOM 205 N GLY A 83 20.356 -8.520 -7.196 1.00 0.00 N ATOM 206 CA GLY A 83 21.708 -8.281 -6.725 1.00 0.00 C ATOM 207 C GLY A 83 22.450 -9.567 -6.417 1.00 0.00 C ATOM 208 O GLY A 83 23.522 -9.820 -6.965 1.00 0.00 O ATOM 0 H GLY A 83 19.622 -8.296 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.258 -7.719 -7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.673 -7.662 -5.829 1.00 0.00 H new ATOM 212 N VAL A 84 21.878 -10.381 -5.534 1.00 0.00 N ATOM 213 CA VAL A 84 22.492 -11.647 -5.153 1.00 0.00 C ATOM 214 C VAL A 84 22.779 -12.509 -6.377 1.00 0.00 C ATOM 215 O VAL A 84 23.888 -13.019 -6.544 1.00 0.00 O ATOM 216 CB VAL A 84 21.594 -12.436 -4.181 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.213 -13.788 -3.861 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.354 -11.636 -2.910 1.00 0.00 C ATOM 0 H VAL A 84 20.991 -10.186 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 84 23.431 -11.406 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 84 20.631 -12.609 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.565 -14.331 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.329 -14.362 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.190 -13.641 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.718 -12.208 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.308 -11.431 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.864 -10.695 -3.160 1.00 0.00 H new ATOM 228 N ILE A 85 21.773 -12.669 -7.230 1.00 0.00 N ATOM 229 CA ILE A 85 21.918 -13.469 -8.440 1.00 0.00 C ATOM 230 C ILE A 85 22.967 -12.871 -9.372 1.00 0.00 C ATOM 231 O ILE A 85 23.858 -13.571 -9.851 1.00 0.00 O ATOM 232 CB ILE A 85 20.583 -13.589 -9.199 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.563 -14.361 -8.360 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.797 -14.270 -10.542 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.941 -15.808 -8.130 1.00 0.00 C ATOM 0 H ILE A 85 20.849 -12.255 -7.106 1.00 0.00 H new ATOM 0 HA ILE A 85 22.238 -14.462 -8.125 1.00 0.00 H new ATOM 0 HB ILE A 85 20.193 -12.587 -9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.449 -13.866 -7.396 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.593 -14.322 -8.855 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.845 -14.348 -11.066 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.494 -13.683 -11.140 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.206 -15.268 -10.383 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.173 -16.293 -7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.027 -16.319 -9.089 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.896 -15.856 -7.607 1.00 0.00 H new ATOM 247 N GLY A 86 22.856 -11.570 -9.623 1.00 0.00 N ATOM 248 CA GLY A 86 23.803 -10.899 -10.495 1.00 0.00 C ATOM 249 C GLY A 86 25.227 -10.991 -9.984 1.00 0.00 C ATOM 250 O GLY A 86 26.171 -11.099 -10.768 1.00 0.00 O ATOM 0 H GLY A 86 22.127 -10.969 -9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.749 -11.338 -11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.522 -9.850 -10.593 1.00 0.00 H new ATOM 254 N THR A 87 25.385 -10.947 -8.665 1.00 0.00 N ATOM 255 CA THR A 87 26.704 -11.022 -8.050 1.00 0.00 C ATOM 256 C THR A 87 27.317 -12.406 -8.233 1.00 0.00 C ATOM 257 O THR A 87 28.400 -12.545 -8.802 1.00 0.00 O ATOM 258 CB THR A 87 26.643 -10.695 -6.546 1.00 0.00 C ATOM 259 OG1 THR A 87 26.107 -9.381 -6.353 1.00 0.00 O ATOM 260 CG2 THR A 87 28.025 -10.782 -5.917 1.00 0.00 C ATOM 0 H THR A 87 24.615 -10.860 -8.002 1.00 0.00 H new ATOM 0 HA THR A 87 27.328 -10.281 -8.550 1.00 0.00 H new ATOM 0 HB THR A 87 25.995 -11.426 -6.063 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.221 -9.325 -6.767 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.957 -10.547 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.418 -11.791 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.692 -10.070 -6.404 1.00 0.00 H new ATOM 268 N ILE A 88 26.618 -13.426 -7.747 1.00 0.00 N ATOM 269 CA ILE A 88 27.093 -14.800 -7.859 1.00 0.00 C ATOM 270 C ILE A 88 27.363 -15.171 -9.313 1.00 0.00 C ATOM 271 O ILE A 88 28.327 -15.876 -9.617 1.00 0.00 O ATOM 272 CB ILE A 88 26.080 -15.796 -7.266 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.823 -15.479 -5.791 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.584 -17.223 -7.426 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.802 -16.389 -5.147 1.00 0.00 C ATOM 0 H ILE A 88 25.721 -13.327 -7.272 1.00 0.00 H new ATOM 0 HA ILE A 88 28.022 -14.860 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 88 25.139 -15.700 -7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.762 -15.554 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.484 -14.447 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.857 -17.915 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.721 -17.444 -8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.536 -17.333 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.670 -16.107 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.851 -16.296 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 88 25.148 -17.421 -5.203 1.00 0.00 H new ATOM 287 N LEU A 89 26.508 -14.692 -10.209 1.00 0.00 N ATOM 288 CA LEU A 89 26.654 -14.972 -11.633 1.00 0.00 C ATOM 289 C LEU A 89 27.930 -14.342 -12.183 1.00 0.00 C ATOM 290 O LEU A 89 28.754 -15.020 -12.799 1.00 0.00 O ATOM 291 CB LEU A 89 25.440 -14.449 -12.403 1.00 0.00 C ATOM 292 CG LEU A 89 24.226 -15.378 -12.453 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.065 -14.700 -13.163 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.584 -16.687 -13.142 1.00 0.00 C ATOM 0 H LEU A 89 25.706 -14.107 -9.975 1.00 0.00 H new ATOM 0 HA LEU A 89 26.719 -16.052 -11.761 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.131 -13.504 -11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.749 -14.232 -13.426 1.00 0.00 H new ATOM 0 HG LEU A 89 23.920 -15.601 -11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.210 -15.376 -13.189 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.792 -13.790 -12.628 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.359 -14.447 -14.182 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.708 -17.336 -13.168 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.916 -16.483 -14.160 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.385 -17.181 -12.591 1.00 0.00 H new ATOM 306 N LEU A 90 28.087 -13.043 -11.956 1.00 0.00 N ATOM 307 CA LEU A 90 29.264 -12.321 -12.427 1.00 0.00 C ATOM 308 C LEU A 90 30.545 -12.981 -11.926 1.00 0.00 C ATOM 309 O LEU A 90 31.469 -13.232 -12.700 1.00 0.00 O ATOM 310 CB LEU A 90 29.213 -10.864 -11.963 1.00 0.00 C ATOM 311 CG LEU A 90 29.908 -9.846 -12.868 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.215 -8.495 -12.784 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.378 -9.718 -12.495 1.00 0.00 C ATOM 0 H LEU A 90 27.414 -12.468 -11.449 1.00 0.00 H new ATOM 0 HA LEU A 90 29.265 -12.349 -13.517 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.168 -10.573 -11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.661 -10.804 -10.971 1.00 0.00 H new ATOM 0 HG LEU A 90 29.844 -10.200 -13.897 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.724 -7.784 -13.435 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.177 -8.598 -13.101 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.247 -8.133 -11.756 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.857 -8.990 -13.149 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.463 -9.388 -11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.868 -10.685 -12.609 1.00 0.00 H new ATOM 325 N ILE A 91 30.591 -13.262 -10.628 1.00 0.00 N ATOM 326 CA ILE A 91 31.756 -13.896 -10.025 1.00 0.00 C ATOM 327 C ILE A 91 31.958 -15.306 -10.569 1.00 0.00 C ATOM 328 O ILE A 91 33.018 -15.630 -11.104 1.00 0.00 O ATOM 329 CB ILE A 91 31.630 -13.962 -8.491 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.474 -12.556 -7.909 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.842 -14.659 -7.890 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.316 -12.539 -6.405 1.00 0.00 C ATOM 0 H ILE A 91 29.835 -13.060 -9.974 1.00 0.00 H new ATOM 0 HA ILE A 91 32.619 -13.283 -10.284 1.00 0.00 H new ATOM 0 HB ILE A 91 30.741 -14.539 -8.239 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.345 -11.960 -8.181 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.606 -12.078 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.739 -14.698 -6.806 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.912 -15.673 -8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.745 -14.106 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.210 -11.510 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.429 -13.107 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.195 -12.988 -5.942 1.00 0.00 H new ATOM 344 N SER A 92 30.933 -16.140 -10.430 1.00 0.00 N ATOM 345 CA SER A 92 30.998 -17.517 -10.906 1.00 0.00 C ATOM 346 C SER A 92 31.364 -17.564 -12.386 1.00 0.00 C ATOM 347 O SER A 92 31.907 -18.556 -12.872 1.00 0.00 O ATOM 348 CB SER A 92 29.659 -18.222 -10.678 1.00 0.00 C ATOM 349 OG SER A 92 29.725 -19.582 -11.071 1.00 0.00 O ATOM 0 H SER A 92 30.048 -15.887 -9.992 1.00 0.00 H new ATOM 0 HA SER A 92 31.774 -18.034 -10.341 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.385 -18.157 -9.625 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.877 -17.715 -11.242 1.00 0.00 H new ATOM 0 HG SER A 92 28.858 -20.010 -10.914 1.00 0.00 H new ATOM 355 N TYR A 93 31.062 -16.483 -13.098 1.00 0.00 N ATOM 356 CA TYR A 93 31.356 -16.400 -14.523 1.00 0.00 C ATOM 357 C TYR A 93 32.860 -16.311 -14.765 1.00 0.00 C ATOM 358 O TYR A 93 33.421 -17.076 -15.549 1.00 0.00 O ATOM 359 CB TYR A 93 30.657 -15.188 -15.140 1.00 0.00 C ATOM 360 CG TYR A 93 30.816 -15.096 -16.641 1.00 0.00 C ATOM 361 CD1 TYR A 93 30.193 -16.009 -17.483 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.588 -14.094 -17.217 1.00 0.00 C ATOM 363 CE1 TYR A 93 30.336 -15.929 -18.854 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.736 -14.005 -18.588 1.00 0.00 C ATOM 365 CZ TYR A 93 31.108 -14.925 -19.402 1.00 0.00 C ATOM 366 OH TYR A 93 31.252 -14.841 -20.768 1.00 0.00 O ATOM 0 H TYR A 93 30.614 -15.653 -12.711 1.00 0.00 H new ATOM 0 HA TYR A 93 30.983 -17.307 -14.998 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.595 -15.229 -14.897 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.053 -14.280 -14.685 1.00 0.00 H new ATOM 0 HD1 TYR A 93 29.586 -16.795 -17.058 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.081 -13.373 -16.582 1.00 0.00 H new ATOM 0 HE1 TYR A 93 29.846 -16.648 -19.494 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.339 -13.220 -19.020 1.00 0.00 H new ATOM 0 HH TYR A 93 31.826 -14.078 -20.990 1.00 0.00 H new ATOM 547 N LEU B 75 13.739 1.002 -1.370 1.00 0.00 N ATOM 548 CA LEU B 75 13.676 -0.435 -1.124 1.00 0.00 C ATOM 549 C LEU B 75 14.610 -1.189 -2.065 1.00 0.00 C ATOM 550 O LEU B 75 15.230 -2.180 -1.678 1.00 0.00 O ATOM 551 CB LEU B 75 12.243 -0.940 -1.297 1.00 0.00 C ATOM 552 CG LEU B 75 11.165 -0.179 -0.524 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.819 -0.872 -0.661 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.553 -0.048 0.942 1.00 0.00 C ATOM 0 HA LEU B 75 13.997 -0.618 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.993 -0.907 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.209 -1.986 -0.994 1.00 0.00 H new ATOM 0 HG LEU B 75 11.079 0.822 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.065 -0.316 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.536 -0.913 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.889 -1.885 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.775 0.496 1.477 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.667 -1.040 1.378 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.495 0.494 1.022 1.00 0.00 H new ATOM 566 N ILE B 76 14.706 -0.713 -3.302 1.00 0.00 N ATOM 567 CA ILE B 76 15.567 -1.340 -4.297 1.00 0.00 C ATOM 568 C ILE B 76 17.038 -1.198 -3.920 1.00 0.00 C ATOM 569 O ILE B 76 17.823 -2.133 -4.082 1.00 0.00 O ATOM 570 CB ILE B 76 15.347 -0.733 -5.695 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.885 -0.890 -6.119 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.271 -1.390 -6.710 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.462 -2.330 -6.310 1.00 0.00 C ATOM 0 H ILE B 76 14.198 0.105 -3.639 1.00 0.00 H new ATOM 0 HA ILE B 76 15.301 -2.397 -4.322 1.00 0.00 H new ATOM 0 HB ILE B 76 15.582 0.331 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.245 -0.429 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.725 -0.346 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.103 -0.950 -7.693 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.308 -1.232 -6.414 1.00 0.00 H new ATOM 0 HG23 ILE B 76 16.065 -2.459 -6.751 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.415 -2.365 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE B 76 14.077 -2.790 -7.084 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.590 -2.874 -5.374 1.00 0.00 H new ATOM 585 N ILE B 77 17.403 -0.025 -3.414 1.00 0.00 N ATOM 586 CA ILE B 77 18.778 0.238 -3.011 1.00 0.00 C ATOM 587 C ILE B 77 19.176 -0.626 -1.819 1.00 0.00 C ATOM 588 O ILE B 77 20.132 -1.398 -1.889 1.00 0.00 O ATOM 589 CB ILE B 77 18.985 1.720 -2.648 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.788 2.602 -3.883 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.370 1.932 -2.055 1.00 0.00 C ATOM 592 CD1 ILE B 77 18.312 4.001 -3.557 1.00 0.00 C ATOM 0 H ILE B 77 16.765 0.758 -3.273 1.00 0.00 H new ATOM 0 HA ILE B 77 19.410 -0.010 -3.864 1.00 0.00 H new ATOM 0 HB ILE B 77 18.244 2.003 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE B 77 19.730 2.665 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.066 2.127 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.501 2.985 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.476 1.328 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.126 1.636 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE B 77 18.194 4.569 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE B 77 17.355 3.948 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE B 77 19.044 4.495 -2.918 1.00 0.00 H new ATOM 604 N PHE B 78 18.435 -0.491 -0.724 1.00 0.00 N ATOM 605 CA PHE B 78 18.709 -1.259 0.484 1.00 0.00 C ATOM 606 C PHE B 78 18.595 -2.757 0.214 1.00 0.00 C ATOM 607 O PHE B 78 19.287 -3.565 0.832 1.00 0.00 O ATOM 608 CB PHE B 78 17.744 -0.856 1.601 1.00 0.00 C ATOM 609 CG PHE B 78 17.828 -1.739 2.814 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.047 -2.879 2.913 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.689 -1.428 3.854 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.122 -3.692 4.028 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.768 -2.238 4.972 1.00 0.00 C ATOM 614 CZ PHE B 78 17.984 -3.372 5.058 1.00 0.00 C ATOM 0 H PHE B 78 17.640 0.144 -0.649 1.00 0.00 H new ATOM 0 HA PHE B 78 19.729 -1.041 0.799 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.951 0.173 1.895 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.725 -0.878 1.215 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.372 -3.135 2.110 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.305 -0.543 3.791 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.507 -4.577 4.094 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.442 -1.984 5.777 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.045 -4.007 5.929 1.00 0.00 H new ATOM 624 N GLY B 79 17.715 -3.120 -0.714 1.00 0.00 N ATOM 625 CA GLY B 79 17.525 -4.518 -1.050 1.00 0.00 C ATOM 626 C GLY B 79 18.727 -5.114 -1.755 1.00 0.00 C ATOM 627 O GLY B 79 19.382 -6.014 -1.229 1.00 0.00 O ATOM 0 H GLY B 79 17.130 -2.470 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.325 -5.083 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.647 -4.619 -1.688 1.00 0.00 H new ATOM 631 N VAL B 80 19.018 -4.612 -2.952 1.00 0.00 N ATOM 632 CA VAL B 80 20.149 -5.101 -3.731 1.00 0.00 C ATOM 633 C VAL B 80 21.450 -4.983 -2.945 1.00 0.00 C ATOM 634 O VAL B 80 22.336 -5.829 -3.061 1.00 0.00 O ATOM 635 CB VAL B 80 20.291 -4.330 -5.057 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.488 -4.840 -5.845 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.015 -4.442 -5.877 1.00 0.00 C ATOM 0 H VAL B 80 18.486 -3.867 -3.402 1.00 0.00 H new ATOM 0 HA VAL B 80 19.954 -6.151 -3.948 1.00 0.00 H new ATOM 0 HB VAL B 80 20.458 -3.277 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.573 -4.284 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.396 -4.703 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.355 -5.899 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.133 -3.892 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.815 -5.491 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.182 -4.024 -5.312 1.00 0.00 H new ATOM 647 N MET B 81 21.557 -3.928 -2.144 1.00 0.00 N ATOM 648 CA MET B 81 22.750 -3.700 -1.336 1.00 0.00 C ATOM 649 C MET B 81 22.912 -4.794 -0.285 1.00 0.00 C ATOM 650 O MET B 81 23.994 -5.358 -0.125 1.00 0.00 O ATOM 651 CB MET B 81 22.678 -2.331 -0.658 1.00 0.00 C ATOM 652 CG MET B 81 23.113 -1.184 -1.556 1.00 0.00 C ATOM 653 SD MET B 81 23.203 0.389 -0.679 1.00 0.00 S ATOM 654 CE MET B 81 24.727 1.058 -1.340 1.00 0.00 C ATOM 0 H MET B 81 20.833 -3.218 -2.037 1.00 0.00 H new ATOM 0 HA MET B 81 23.617 -3.725 -1.997 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.656 -2.153 -0.325 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.306 -2.342 0.233 1.00 0.00 H new ATOM 0 HG2 MET B 81 24.089 -1.413 -1.984 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.413 -1.093 -2.387 1.00 0.00 H new ATOM 0 HE1 MET B 81 24.921 2.033 -0.892 1.00 0.00 H new ATOM 0 HE2 MET B 81 25.551 0.383 -1.109 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.638 1.166 -2.421 1.00 0.00 H new ATOM 664 N ALA B 82 21.830 -5.087 0.428 1.00 0.00 N ATOM 665 CA ALA B 82 21.852 -6.115 1.462 1.00 0.00 C ATOM 666 C ALA B 82 22.162 -7.485 0.868 1.00 0.00 C ATOM 667 O ALA B 82 22.879 -8.284 1.468 1.00 0.00 O ATOM 668 CB ALA B 82 20.524 -6.147 2.203 1.00 0.00 C ATOM 0 H ALA B 82 20.927 -4.627 0.309 1.00 0.00 H new ATOM 0 HA ALA B 82 22.644 -5.867 2.169 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.555 -6.919 2.972 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.344 -5.178 2.669 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.720 -6.367 1.500 1.00 0.00 H new ATOM 674 N GLY B 83 21.616 -7.749 -0.315 1.00 0.00 N ATOM 675 CA GLY B 83 21.845 -9.024 -0.969 1.00 0.00 C ATOM 676 C GLY B 83 23.252 -9.149 -1.519 1.00 0.00 C ATOM 677 O GLY B 83 23.980 -10.081 -1.178 1.00 0.00 O ATOM 0 H GLY B 83 21.019 -7.103 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.663 -9.831 -0.259 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.128 -9.146 -1.781 1.00 0.00 H new ATOM 681 N VAL B 84 23.637 -8.207 -2.375 1.00 0.00 N ATOM 682 CA VAL B 84 24.966 -8.216 -2.974 1.00 0.00 C ATOM 683 C VAL B 84 26.051 -8.264 -1.904 1.00 0.00 C ATOM 684 O VAL B 84 26.950 -9.104 -1.955 1.00 0.00 O ATOM 685 CB VAL B 84 25.190 -6.977 -3.861 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.609 -6.961 -4.408 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.173 -6.941 -4.992 1.00 0.00 C ATOM 0 H VAL B 84 23.047 -7.428 -2.669 1.00 0.00 H new ATOM 0 HA VAL B 84 25.029 -9.112 -3.591 1.00 0.00 H new ATOM 0 HB VAL B 84 25.052 -6.085 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.748 -6.078 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.318 -6.936 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.779 -7.858 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.346 -6.059 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.277 -7.837 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.167 -6.901 -4.575 1.00 0.00 H new ATOM 697 N ILE B 85 25.960 -7.358 -0.936 1.00 0.00 N ATOM 698 CA ILE B 85 26.933 -7.298 0.148 1.00 0.00 C ATOM 699 C ILE B 85 26.957 -8.602 0.938 1.00 0.00 C ATOM 700 O ILE B 85 28.018 -9.181 1.170 1.00 0.00 O ATOM 701 CB ILE B 85 26.634 -6.134 1.110 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.771 -4.794 0.382 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.565 -6.187 2.312 1.00 0.00 C ATOM 704 CD1 ILE B 85 26.053 -3.656 1.073 1.00 0.00 C ATOM 0 H ILE B 85 25.223 -6.656 -0.880 1.00 0.00 H new ATOM 0 HA ILE B 85 27.908 -7.136 -0.312 1.00 0.00 H new ATOM 0 HB ILE B 85 25.608 -6.230 1.465 1.00 0.00 H new ATOM 0 HG12 ILE B 85 27.828 -4.545 0.292 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.381 -4.898 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.341 -5.357 2.983 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.423 -7.130 2.841 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.599 -6.112 1.975 1.00 0.00 H new ATOM 0 HD11 ILE B 85 26.193 -2.738 0.502 1.00 0.00 H new ATOM 0 HD12 ILE B 85 24.989 -3.884 1.139 1.00 0.00 H new ATOM 0 HD13 ILE B 85 26.459 -3.525 2.076 1.00 0.00 H new ATOM 716 N GLY B 86 25.778 -9.061 1.347 1.00 0.00 N ATOM 717 CA GLY B 86 25.686 -10.295 2.106 1.00 0.00 C ATOM 718 C GLY B 86 26.269 -11.479 1.360 1.00 0.00 C ATOM 719 O GLY B 86 26.951 -12.319 1.948 1.00 0.00 O ATOM 0 H GLY B 86 24.886 -8.601 1.167 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.209 -10.174 3.055 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.641 -10.496 2.341 1.00 0.00 H new ATOM 723 N THR B 87 25.999 -11.549 0.060 1.00 0.00 N ATOM 724 CA THR B 87 26.500 -12.640 -0.767 1.00 0.00 C ATOM 725 C THR B 87 28.023 -12.643 -0.810 1.00 0.00 C ATOM 726 O THR B 87 28.663 -13.619 -0.418 1.00 0.00 O ATOM 727 CB THR B 87 25.956 -12.550 -2.205 1.00 0.00 C ATOM 728 OG1 THR B 87 24.525 -12.513 -2.187 1.00 0.00 O ATOM 729 CG2 THR B 87 26.428 -13.733 -3.037 1.00 0.00 C ATOM 0 H THR B 87 25.436 -10.863 -0.443 1.00 0.00 H new ATOM 0 HA THR B 87 26.151 -13.567 -0.312 1.00 0.00 H new ATOM 0 HB THR B 87 26.336 -11.634 -2.657 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.225 -11.702 -1.726 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.031 -13.648 -4.049 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.517 -13.740 -3.074 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.074 -14.660 -2.585 1.00 0.00 H new ATOM 737 N ILE B 88 28.599 -11.545 -1.289 1.00 0.00 N ATOM 738 CA ILE B 88 30.048 -11.421 -1.382 1.00 0.00 C ATOM 739 C ILE B 88 30.710 -11.694 -0.035 1.00 0.00 C ATOM 740 O ILE B 88 31.729 -12.383 0.040 1.00 0.00 O ATOM 741 CB ILE B 88 30.463 -10.021 -1.871 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.839 -9.728 -3.237 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.979 -9.913 -1.942 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.998 -8.290 -3.678 1.00 0.00 C ATOM 0 H ILE B 88 28.084 -10.729 -1.619 1.00 0.00 H new ATOM 0 HA ILE B 88 30.383 -12.164 -2.106 1.00 0.00 H new ATOM 0 HB ILE B 88 30.098 -9.281 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.293 -10.381 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.778 -9.974 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.257 -8.918 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.403 -10.084 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.365 -10.660 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.532 -8.155 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.519 -7.632 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.058 -8.045 -3.745 1.00 0.00 H new ATOM 756 N LEU B 89 30.125 -11.150 1.026 1.00 0.00 N ATOM 757 CA LEU B 89 30.657 -11.336 2.372 1.00 0.00 C ATOM 758 C LEU B 89 30.747 -12.818 2.722 1.00 0.00 C ATOM 759 O LEU B 89 31.792 -13.300 3.162 1.00 0.00 O ATOM 760 CB LEU B 89 29.778 -10.612 3.394 1.00 0.00 C ATOM 761 CG LEU B 89 30.046 -9.118 3.571 1.00 0.00 C ATOM 762 CD1 LEU B 89 28.938 -8.469 4.386 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.399 -8.893 4.231 1.00 0.00 C ATOM 0 H LEU B 89 29.283 -10.577 0.981 1.00 0.00 H new ATOM 0 HA LEU B 89 31.661 -10.913 2.401 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.736 -10.742 3.103 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.902 -11.100 4.361 1.00 0.00 H new ATOM 0 HG LEU B 89 30.063 -8.653 2.585 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.146 -7.405 4.501 1.00 0.00 H new ATOM 0 HD12 LEU B 89 27.985 -8.598 3.873 1.00 0.00 H new ATOM 0 HD13 LEU B 89 28.887 -8.937 5.369 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.573 -7.823 4.349 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.411 -9.373 5.210 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.184 -9.322 3.608 1.00 0.00 H new ATOM 775 N LEU B 90 29.648 -13.536 2.521 1.00 0.00 N ATOM 776 CA LEU B 90 29.603 -14.965 2.813 1.00 0.00 C ATOM 777 C LEU B 90 30.644 -15.721 1.994 1.00 0.00 C ATOM 778 O LEU B 90 31.325 -16.610 2.506 1.00 0.00 O ATOM 779 CB LEU B 90 28.208 -15.521 2.525 1.00 0.00 C ATOM 780 CG LEU B 90 27.785 -16.735 3.353 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.270 -16.874 3.360 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.436 -18.001 2.817 1.00 0.00 C ATOM 0 H LEU B 90 28.776 -13.153 2.157 1.00 0.00 H new ATOM 0 HA LEU B 90 29.830 -15.102 3.870 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.481 -14.725 2.687 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.157 -15.790 1.470 1.00 0.00 H new ATOM 0 HG LEU B 90 28.121 -16.585 4.379 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.987 -17.743 3.954 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.824 -15.978 3.793 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.912 -17.000 2.338 1.00 0.00 H new ATOM 0 HD21 LEU B 90 28.123 -18.854 3.419 1.00 0.00 H new ATOM 0 HD22 LEU B 90 28.132 -18.156 1.782 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.520 -17.901 2.865 1.00 0.00 H new ATOM 794 N ILE B 91 30.764 -15.360 0.721 1.00 0.00 N ATOM 795 CA ILE B 91 31.724 -16.002 -0.168 1.00 0.00 C ATOM 796 C ILE B 91 33.156 -15.718 0.273 1.00 0.00 C ATOM 797 O ILE B 91 33.904 -16.633 0.614 1.00 0.00 O ATOM 798 CB ILE B 91 31.544 -15.533 -1.624 1.00 0.00 C ATOM 799 CG1 ILE B 91 30.137 -15.869 -2.121 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.595 -16.171 -2.520 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.904 -17.351 -2.317 1.00 0.00 C ATOM 0 H ILE B 91 30.208 -14.626 0.282 1.00 0.00 H new ATOM 0 HA ILE B 91 31.536 -17.074 -0.115 1.00 0.00 H new ATOM 0 HB ILE B 91 31.673 -14.451 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.407 -15.486 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.961 -15.354 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.454 -15.830 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.589 -15.885 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.496 -17.256 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.886 -17.516 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE B 91 30.610 -17.736 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.048 -17.870 -1.370 1.00 0.00 H new ATOM 813 N SER B 92 33.530 -14.442 0.264 1.00 0.00 N ATOM 814 CA SER B 92 34.873 -14.037 0.661 1.00 0.00 C ATOM 815 C SER B 92 35.207 -14.556 2.056 1.00 0.00 C ATOM 816 O SER B 92 36.375 -14.756 2.393 1.00 0.00 O ATOM 817 CB SER B 92 35.000 -12.513 0.628 1.00 0.00 C ATOM 818 OG SER B 92 35.484 -12.068 -0.627 1.00 0.00 O ATOM 0 H SER B 92 32.922 -13.672 -0.014 1.00 0.00 H new ATOM 0 HA SER B 92 35.580 -14.469 -0.047 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.029 -12.060 0.828 1.00 0.00 H new ATOM 0 HB3 SER B 92 35.674 -12.184 1.419 1.00 0.00 H new ATOM 0 HG SER B 92 35.554 -11.091 -0.623 1.00 0.00 H new ATOM 824 N TYR B 93 34.174 -14.773 2.863 1.00 0.00 N ATOM 825 CA TYR B 93 34.357 -15.267 4.222 1.00 0.00 C ATOM 826 C TYR B 93 34.765 -16.737 4.218 1.00 0.00 C ATOM 827 O TYR B 93 35.814 -17.103 4.747 1.00 0.00 O ATOM 828 CB TYR B 93 33.070 -15.086 5.030 1.00 0.00 C ATOM 829 CG TYR B 93 33.138 -15.680 6.418 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.717 -14.978 7.468 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.623 -16.944 6.680 1.00 0.00 C ATOM 832 CE1 TYR B 93 33.782 -15.518 8.738 1.00 0.00 C ATOM 833 CE2 TYR B 93 32.682 -17.491 7.948 1.00 0.00 C ATOM 834 CZ TYR B 93 33.263 -16.774 8.973 1.00 0.00 C ATOM 835 OH TYR B 93 33.325 -17.314 10.237 1.00 0.00 O ATOM 0 H TYR B 93 33.202 -14.614 2.599 1.00 0.00 H new ATOM 0 HA TYR B 93 35.155 -14.689 4.687 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.848 -14.022 5.110 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.243 -15.545 4.488 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.123 -13.994 7.288 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.169 -17.509 5.879 1.00 0.00 H new ATOM 0 HE1 TYR B 93 34.237 -14.959 9.543 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.276 -18.474 8.135 1.00 0.00 H new ATOM 0 HH TYR B 93 32.914 -18.204 10.233 1.00 0.00 H new