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 60:sc= 0.213 USER MOD Single : A 92 SER OG : rot -20:sc= 0.766 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 57:sc= -0.706! USER MOD Single : B 92 SER OG : rot -73:sc= 0.345 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.728 -4.898 -4.519 1.00 0.00 N ATOM 79 CA LEU A 75 11.007 -4.243 -4.769 1.00 0.00 C ATOM 80 C LEU A 75 12.121 -4.897 -3.957 1.00 0.00 C ATOM 81 O LEU A 75 13.242 -5.057 -4.440 1.00 0.00 O ATOM 82 CB LEU A 75 10.917 -2.755 -4.425 1.00 0.00 C ATOM 83 CG LEU A 75 9.845 -1.959 -5.170 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.507 -0.683 -4.414 1.00 0.00 C ATOM 85 CD2 LEU A 75 10.306 -1.637 -6.584 1.00 0.00 C ATOM 0 HA LEU A 75 11.242 -4.351 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.734 -2.660 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.886 -2.297 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 75 8.944 -2.569 -5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.742 -0.129 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.134 -0.936 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.402 -0.068 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.531 -1.070 -7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.221 -1.046 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.497 -2.564 -7.124 1.00 0.00 H new ATOM 97 N ILE A 76 11.803 -5.276 -2.724 1.00 0.00 N ATOM 98 CA ILE A 76 12.776 -5.916 -1.847 1.00 0.00 C ATOM 99 C ILE A 76 13.176 -7.288 -2.379 1.00 0.00 C ATOM 100 O ILE A 76 14.360 -7.623 -2.430 1.00 0.00 O ATOM 101 CB ILE A 76 12.228 -6.072 -0.416 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.771 -4.717 0.129 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.283 -6.686 0.491 1.00 0.00 C ATOM 104 CD1 ILE A 76 10.960 -4.821 1.401 1.00 0.00 C ATOM 0 H ILE A 76 10.879 -5.151 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 76 13.653 -5.269 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 76 11.367 -6.740 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.647 -4.095 0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.176 -4.210 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.881 -6.790 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.564 -7.668 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.161 -6.041 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.670 -3.823 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.066 -5.416 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.559 -5.299 2.176 1.00 0.00 H new ATOM 116 N ILE A 77 12.183 -8.076 -2.775 1.00 0.00 N ATOM 117 CA ILE A 77 12.432 -9.410 -3.306 1.00 0.00 C ATOM 118 C ILE A 77 13.187 -9.343 -4.629 1.00 0.00 C ATOM 119 O ILE A 77 14.264 -9.922 -4.771 1.00 0.00 O ATOM 120 CB ILE A 77 11.118 -10.186 -3.516 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.514 -10.585 -2.168 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.362 -11.416 -4.378 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.332 -11.615 -1.421 1.00 0.00 C ATOM 0 H ILE A 77 11.198 -7.814 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 77 13.041 -9.935 -2.570 1.00 0.00 H new ATOM 0 HB ILE A 77 10.409 -9.538 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.411 -9.695 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.510 -10.978 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.424 -11.954 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.752 -11.109 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.085 -12.067 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.844 -11.850 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.414 -12.520 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.328 -11.217 -1.227 1.00 0.00 H new ATOM 135 N PHE A 78 12.616 -8.631 -5.595 1.00 0.00 N ATOM 136 CA PHE A 78 13.236 -8.488 -6.907 1.00 0.00 C ATOM 137 C PHE A 78 14.594 -7.802 -6.794 1.00 0.00 C ATOM 138 O PHE A 78 15.494 -8.047 -7.597 1.00 0.00 O ATOM 139 CB PHE A 78 12.324 -7.688 -7.840 1.00 0.00 C ATOM 140 CG PHE A 78 12.975 -7.319 -9.142 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.695 -6.141 -9.263 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.867 -8.149 -10.246 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.295 -5.798 -10.459 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.466 -7.812 -11.445 1.00 0.00 C ATOM 145 CZ PHE A 78 14.180 -6.634 -11.552 1.00 0.00 C ATOM 0 H PHE A 78 11.725 -8.144 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 78 13.385 -9.485 -7.322 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.426 -8.270 -8.044 1.00 0.00 H new ATOM 0 HB3 PHE A 78 12.005 -6.778 -7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.788 -5.483 -8.412 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.308 -9.070 -10.169 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.853 -4.877 -10.539 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.376 -8.469 -12.298 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.647 -6.368 -12.489 1.00 0.00 H new ATOM 155 N GLY A 79 14.735 -6.940 -5.791 1.00 0.00 N ATOM 156 CA GLY A 79 15.985 -6.232 -5.591 1.00 0.00 C ATOM 157 C GLY A 79 17.103 -7.146 -5.132 1.00 0.00 C ATOM 158 O GLY A 79 18.099 -7.323 -5.835 1.00 0.00 O ATOM 0 H GLY A 79 14.005 -6.720 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.277 -5.746 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.838 -5.444 -4.853 1.00 0.00 H new ATOM 162 N VAL A 80 16.941 -7.729 -3.949 1.00 0.00 N ATOM 163 CA VAL A 80 17.945 -8.630 -3.396 1.00 0.00 C ATOM 164 C VAL A 80 18.217 -9.796 -4.341 1.00 0.00 C ATOM 165 O VAL A 80 19.350 -10.261 -4.458 1.00 0.00 O ATOM 166 CB VAL A 80 17.509 -9.185 -2.027 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.552 -10.149 -1.484 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.260 -8.048 -1.047 1.00 0.00 C ATOM 0 H VAL A 80 16.123 -7.593 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 80 18.857 -8.047 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 80 16.576 -9.734 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.226 -10.530 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.676 -10.980 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.503 -9.629 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.953 -8.458 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.176 -7.470 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.473 -7.400 -1.433 1.00 0.00 H new ATOM 178 N MET A 81 17.170 -10.262 -5.013 1.00 0.00 N ATOM 179 CA MET A 81 17.296 -11.373 -5.949 1.00 0.00 C ATOM 180 C MET A 81 18.167 -10.983 -7.140 1.00 0.00 C ATOM 181 O MET A 81 19.061 -11.730 -7.538 1.00 0.00 O ATOM 182 CB MET A 81 15.916 -11.817 -6.436 1.00 0.00 C ATOM 183 CG MET A 81 15.174 -12.695 -5.441 1.00 0.00 C ATOM 184 SD MET A 81 15.664 -14.428 -5.544 1.00 0.00 S ATOM 185 CE MET A 81 15.428 -14.948 -3.847 1.00 0.00 C ATOM 0 H MET A 81 16.225 -9.888 -4.927 1.00 0.00 H new ATOM 0 HA MET A 81 17.773 -12.203 -5.428 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.313 -10.934 -6.649 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.028 -12.360 -7.374 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.358 -12.329 -4.431 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.102 -12.613 -5.619 1.00 0.00 H new ATOM 0 HE1 MET A 81 15.690 -16.001 -3.749 1.00 0.00 H new ATOM 0 HE2 MET A 81 16.065 -14.353 -3.192 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.385 -14.806 -3.565 1.00 0.00 H new ATOM 195 N ALA A 82 17.899 -9.810 -7.705 1.00 0.00 N ATOM 196 CA ALA A 82 18.659 -9.322 -8.848 1.00 0.00 C ATOM 197 C ALA A 82 20.124 -9.107 -8.483 1.00 0.00 C ATOM 198 O ALA A 82 21.020 -9.390 -9.276 1.00 0.00 O ATOM 199 CB ALA A 82 18.050 -8.031 -9.375 1.00 0.00 C ATOM 0 H ALA A 82 17.161 -9.181 -7.389 1.00 0.00 H new ATOM 0 HA ALA A 82 18.614 -10.079 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.628 -7.678 -10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.021 -8.214 -9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.064 -7.275 -8.590 1.00 0.00 H new ATOM 205 N GLY A 83 20.360 -8.602 -7.275 1.00 0.00 N ATOM 206 CA GLY A 83 21.718 -8.357 -6.826 1.00 0.00 C ATOM 207 C GLY A 83 22.460 -9.637 -6.496 1.00 0.00 C ATOM 208 O GLY A 83 23.527 -9.905 -7.048 1.00 0.00 O ATOM 0 H GLY A 83 19.635 -8.359 -6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.261 -7.815 -7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.696 -7.716 -5.945 1.00 0.00 H new ATOM 212 N VAL A 84 21.895 -10.430 -5.591 1.00 0.00 N ATOM 213 CA VAL A 84 22.510 -11.689 -5.187 1.00 0.00 C ATOM 214 C VAL A 84 22.779 -12.581 -6.393 1.00 0.00 C ATOM 215 O VAL A 84 23.886 -13.093 -6.564 1.00 0.00 O ATOM 216 CB VAL A 84 21.621 -12.452 -4.186 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.241 -13.796 -3.839 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.396 -11.620 -2.933 1.00 0.00 C ATOM 0 H VAL A 84 21.012 -10.223 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 84 23.455 -11.439 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 84 20.653 -12.635 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.599 -14.321 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.346 -14.393 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.223 -13.639 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.766 -12.174 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.355 -11.405 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.905 -10.684 -3.201 1.00 0.00 H new ATOM 228 N ILE A 85 21.761 -12.762 -7.227 1.00 0.00 N ATOM 229 CA ILE A 85 21.888 -13.591 -8.419 1.00 0.00 C ATOM 230 C ILE A 85 22.929 -13.021 -9.377 1.00 0.00 C ATOM 231 O ILE A 85 23.820 -13.733 -9.838 1.00 0.00 O ATOM 232 CB ILE A 85 20.544 -13.724 -9.159 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.532 -14.476 -8.293 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.740 -14.433 -10.491 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.910 -15.918 -8.036 1.00 0.00 C ATOM 0 H ILE A 85 20.839 -12.346 -7.099 1.00 0.00 H new ATOM 0 HA ILE A 85 22.208 -14.578 -8.084 1.00 0.00 H new ATOM 0 HB ILE A 85 20.154 -12.725 -9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.429 -13.960 -7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.557 -14.446 -8.779 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.781 -14.519 -11.002 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.431 -13.860 -11.110 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.149 -15.428 -10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.147 -16.389 -7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 85 19.985 -16.449 -8.985 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.870 -15.956 -7.522 1.00 0.00 H new ATOM 247 N GLY A 86 22.811 -11.730 -9.670 1.00 0.00 N ATOM 248 CA GLY A 86 23.749 -11.084 -10.570 1.00 0.00 C ATOM 249 C GLY A 86 25.178 -11.159 -10.069 1.00 0.00 C ATOM 250 O GLY A 86 26.114 -11.300 -10.857 1.00 0.00 O ATOM 0 H GLY A 86 22.082 -11.119 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.687 -11.552 -11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.466 -10.039 -10.696 1.00 0.00 H new ATOM 254 N THR A 87 25.348 -11.064 -8.754 1.00 0.00 N ATOM 255 CA THR A 87 26.673 -11.119 -8.149 1.00 0.00 C ATOM 256 C THR A 87 27.292 -12.504 -8.305 1.00 0.00 C ATOM 257 O THR A 87 28.361 -12.652 -8.897 1.00 0.00 O ATOM 258 CB THR A 87 26.622 -10.758 -6.652 1.00 0.00 C ATOM 259 OG1 THR A 87 26.120 -9.428 -6.486 1.00 0.00 O ATOM 260 CG2 THR A 87 28.002 -10.868 -6.022 1.00 0.00 C ATOM 0 H THR A 87 24.584 -10.949 -8.088 1.00 0.00 H new ATOM 0 HA THR A 87 27.290 -10.388 -8.671 1.00 0.00 H new ATOM 0 HB THR A 87 25.956 -11.462 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.221 -9.368 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.941 -10.608 -4.965 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.368 -11.889 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.687 -10.185 -6.524 1.00 0.00 H new ATOM 268 N ILE A 88 26.613 -13.514 -7.772 1.00 0.00 N ATOM 269 CA ILE A 88 27.096 -14.886 -7.854 1.00 0.00 C ATOM 270 C ILE A 88 27.365 -15.288 -9.301 1.00 0.00 C ATOM 271 O ILE A 88 28.350 -15.967 -9.595 1.00 0.00 O ATOM 272 CB ILE A 88 26.091 -15.876 -7.237 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.827 -15.521 -5.772 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.608 -17.301 -7.358 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.776 -16.391 -5.119 1.00 0.00 C ATOM 0 H ILE A 88 25.727 -13.408 -7.279 1.00 0.00 H new ATOM 0 HA ILE A 88 28.027 -14.927 -7.288 1.00 0.00 H new ATOM 0 HB ILE A 88 25.151 -15.805 -7.784 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.758 -15.608 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.514 -14.479 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.886 -17.989 -6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.749 -17.549 -8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.560 -17.389 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.641 -16.083 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.832 -16.286 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 88 25.096 -17.433 -5.149 1.00 0.00 H new ATOM 287 N LEU A 89 26.484 -14.864 -10.200 1.00 0.00 N ATOM 288 CA LEU A 89 26.627 -15.177 -11.618 1.00 0.00 C ATOM 289 C LEU A 89 27.905 -14.567 -12.185 1.00 0.00 C ATOM 290 O LEU A 89 28.750 -15.272 -12.737 1.00 0.00 O ATOM 291 CB LEU A 89 25.414 -14.666 -12.397 1.00 0.00 C ATOM 292 CG LEU A 89 24.219 -15.617 -12.479 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.045 -14.940 -13.168 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.604 -16.895 -13.210 1.00 0.00 C ATOM 0 H LEU A 89 25.663 -14.303 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 89 26.688 -16.260 -11.722 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.080 -13.734 -11.940 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.733 -14.427 -13.412 1.00 0.00 H new ATOM 0 HG LEU A 89 23.917 -15.879 -11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.204 -15.632 -13.217 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.754 -14.054 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.335 -14.648 -14.178 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.742 -17.560 -13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.932 -16.651 -14.220 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.414 -17.390 -12.675 1.00 0.00 H new ATOM 306 N LEU A 90 28.040 -13.253 -12.043 1.00 0.00 N ATOM 307 CA LEU A 90 29.216 -12.547 -12.539 1.00 0.00 C ATOM 308 C LEU A 90 30.497 -13.190 -12.017 1.00 0.00 C ATOM 309 O LEU A 90 31.388 -13.541 -12.792 1.00 0.00 O ATOM 310 CB LEU A 90 29.165 -11.076 -12.124 1.00 0.00 C ATOM 311 CG LEU A 90 29.839 -10.087 -13.076 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.301 -8.682 -12.854 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.350 -10.116 -12.892 1.00 0.00 C ATOM 0 H LEU A 90 27.350 -12.655 -11.589 1.00 0.00 H new ATOM 0 HA LEU A 90 29.216 -12.611 -13.627 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.120 -10.787 -12.012 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.630 -10.980 -11.143 1.00 0.00 H new ATOM 0 HG LEU A 90 29.611 -10.384 -14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.792 -7.992 -13.540 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.226 -8.671 -13.036 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.499 -8.375 -11.827 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.814 -9.406 -13.577 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.597 -9.844 -11.866 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.723 -11.119 -13.101 1.00 0.00 H new ATOM 325 N ILE A 91 30.583 -13.342 -10.699 1.00 0.00 N ATOM 326 CA ILE A 91 31.753 -13.946 -10.075 1.00 0.00 C ATOM 327 C ILE A 91 31.975 -15.367 -10.581 1.00 0.00 C ATOM 328 O ILE A 91 33.051 -15.699 -11.078 1.00 0.00 O ATOM 329 CB ILE A 91 31.621 -13.974 -8.541 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.435 -12.556 -7.997 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.843 -14.630 -7.916 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.299 -12.499 -6.492 1.00 0.00 C ATOM 0 H ILE A 91 29.856 -13.055 -10.043 1.00 0.00 H new ATOM 0 HA ILE A 91 32.609 -13.329 -10.347 1.00 0.00 H new ATOM 0 HB ILE A 91 30.742 -14.562 -8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.285 -11.945 -8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.547 -12.115 -8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.735 -14.642 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.935 -15.652 -8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.736 -14.066 -8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.170 -11.463 -6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.432 -13.083 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.197 -12.910 -6.030 1.00 0.00 H new ATOM 344 N SER A 92 30.949 -16.202 -10.452 1.00 0.00 N ATOM 345 CA SER A 92 31.032 -17.589 -10.894 1.00 0.00 C ATOM 346 C SER A 92 31.442 -17.668 -12.361 1.00 0.00 C ATOM 347 O SER A 92 32.010 -18.666 -12.806 1.00 0.00 O ATOM 348 CB SER A 92 29.689 -18.293 -10.690 1.00 0.00 C ATOM 349 OG SER A 92 28.690 -17.740 -11.531 1.00 0.00 O ATOM 0 H SER A 92 30.051 -15.942 -10.045 1.00 0.00 H new ATOM 0 HA SER A 92 31.792 -18.090 -10.295 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.797 -19.357 -10.900 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.382 -18.203 -9.648 1.00 0.00 H new ATOM 0 HG SER A 92 28.966 -16.846 -11.823 1.00 0.00 H new ATOM 355 N TYR A 93 31.151 -16.609 -13.108 1.00 0.00 N ATOM 356 CA TYR A 93 31.486 -16.557 -14.526 1.00 0.00 C ATOM 357 C TYR A 93 32.998 -16.565 -14.728 1.00 0.00 C ATOM 358 O TYR A 93 33.496 -17.012 -15.761 1.00 0.00 O ATOM 359 CB TYR A 93 30.881 -15.309 -15.170 1.00 0.00 C ATOM 360 CG TYR A 93 30.512 -15.497 -16.625 1.00 0.00 C ATOM 361 CD1 TYR A 93 29.357 -16.178 -16.986 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.320 -14.993 -17.637 1.00 0.00 C ATOM 363 CE1 TYR A 93 29.016 -16.352 -18.314 1.00 0.00 C ATOM 364 CE2 TYR A 93 30.986 -15.161 -18.967 1.00 0.00 C ATOM 365 CZ TYR A 93 29.834 -15.842 -19.300 1.00 0.00 C ATOM 366 OH TYR A 93 29.499 -16.013 -20.624 1.00 0.00 O ATOM 0 H TYR A 93 30.683 -15.774 -12.755 1.00 0.00 H new ATOM 0 HA TYR A 93 31.068 -17.443 -15.005 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.991 -15.018 -14.613 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.592 -14.487 -15.087 1.00 0.00 H new ATOM 0 HD1 TYR A 93 28.714 -16.578 -16.216 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.224 -14.461 -17.380 1.00 0.00 H new ATOM 0 HE1 TYR A 93 28.114 -16.884 -18.578 1.00 0.00 H new ATOM 0 HE2 TYR A 93 31.624 -14.761 -19.742 1.00 0.00 H new ATOM 0 HH TYR A 93 30.179 -15.593 -21.190 1.00 0.00 H new ATOM 547 N LEU B 75 13.662 0.799 -1.035 1.00 0.00 N ATOM 548 CA LEU B 75 13.602 -0.651 -0.884 1.00 0.00 C ATOM 549 C LEU B 75 14.500 -1.342 -1.905 1.00 0.00 C ATOM 550 O LEU B 75 15.149 -2.343 -1.598 1.00 0.00 O ATOM 551 CB LEU B 75 12.162 -1.141 -1.039 1.00 0.00 C ATOM 552 CG LEU B 75 11.127 -0.487 -0.123 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.764 -0.452 -0.796 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.049 -1.225 1.205 1.00 0.00 C ATOM 0 HA LEU B 75 13.958 -0.903 0.115 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.855 -0.982 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.145 -2.217 -0.863 1.00 0.00 H new ATOM 0 HG LEU B 75 11.439 0.539 0.072 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.041 0.017 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.829 0.121 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.443 -1.469 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.308 -0.746 1.844 1.00 0.00 H new ATOM 0 HD22 LEU B 75 10.761 -2.261 1.029 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.023 -1.197 1.694 1.00 0.00 H new ATOM 566 N ILE B 76 14.534 -0.801 -3.118 1.00 0.00 N ATOM 567 CA ILE B 76 15.355 -1.364 -4.182 1.00 0.00 C ATOM 568 C ILE B 76 16.840 -1.229 -3.862 1.00 0.00 C ATOM 569 O ILE B 76 17.611 -2.172 -4.037 1.00 0.00 O ATOM 570 CB ILE B 76 15.069 -0.683 -5.534 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.575 -0.750 -5.857 1.00 0.00 C ATOM 572 CG2 ILE B 76 15.885 -1.336 -6.639 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.169 0.128 -7.020 1.00 0.00 C ATOM 0 H ILE B 76 14.002 0.027 -3.388 1.00 0.00 H new ATOM 0 HA ILE B 76 15.096 -2.420 -4.254 1.00 0.00 H new ATOM 0 HB ILE B 76 15.360 0.365 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.306 -1.782 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.007 -0.456 -4.974 1.00 0.00 H new ATOM 0 HG21 ILE B 76 15.672 -0.844 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE B 76 16.947 -1.241 -6.412 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.622 -2.391 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.097 0.031 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.407 1.167 -6.792 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.710 -0.180 -7.915 1.00 0.00 H new ATOM 585 N ILE B 77 17.232 -0.051 -3.389 1.00 0.00 N ATOM 586 CA ILE B 77 18.624 0.207 -3.040 1.00 0.00 C ATOM 587 C ILE B 77 19.062 -0.649 -1.857 1.00 0.00 C ATOM 588 O ILE B 77 20.024 -1.412 -1.951 1.00 0.00 O ATOM 589 CB ILE B 77 18.853 1.691 -2.698 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.780 2.546 -3.965 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.196 1.874 -2.006 1.00 0.00 C ATOM 592 CD1 ILE B 77 19.926 2.307 -4.922 1.00 0.00 C ATOM 0 H ILE B 77 16.606 0.740 -3.239 1.00 0.00 H new ATOM 0 HA ILE B 77 19.221 -0.052 -3.914 1.00 0.00 H new ATOM 0 HB ILE B 77 18.067 2.017 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE B 77 17.840 2.341 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.766 3.599 -3.683 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.343 2.928 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.213 1.291 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE B 77 20.994 1.534 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE B 77 19.809 2.947 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE B 77 20.869 2.539 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE B 77 19.928 1.263 -5.234 1.00 0.00 H new ATOM 604 N PHE B 78 18.348 -0.519 -0.743 1.00 0.00 N ATOM 605 CA PHE B 78 18.663 -1.282 0.459 1.00 0.00 C ATOM 606 C PHE B 78 18.561 -2.781 0.194 1.00 0.00 C ATOM 607 O PHE B 78 19.265 -3.581 0.810 1.00 0.00 O ATOM 608 CB PHE B 78 17.720 -0.889 1.599 1.00 0.00 C ATOM 609 CG PHE B 78 17.843 -1.769 2.809 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.088 -2.926 2.921 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.714 -1.440 3.836 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.200 -3.738 4.034 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.830 -2.249 4.950 1.00 0.00 C ATOM 614 CZ PHE B 78 18.071 -3.399 5.050 1.00 0.00 C ATOM 0 H PHE B 78 17.548 0.107 -0.648 1.00 0.00 H new ATOM 0 HA PHE B 78 19.688 -1.051 0.748 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.922 0.142 1.888 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.692 -0.923 1.238 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.404 -3.196 2.130 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.309 -0.541 3.765 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.606 -4.637 4.109 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.514 -1.982 5.742 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.159 -4.031 5.921 1.00 0.00 H new ATOM 624 N GLY B 79 17.678 -3.155 -0.726 1.00 0.00 N ATOM 625 CA GLY B 79 17.499 -4.557 -1.057 1.00 0.00 C ATOM 626 C GLY B 79 18.697 -5.140 -1.778 1.00 0.00 C ATOM 627 O GLY B 79 19.356 -6.048 -1.270 1.00 0.00 O ATOM 0 H GLY B 79 17.083 -2.512 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.318 -5.123 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.613 -4.669 -1.682 1.00 0.00 H new ATOM 631 N VAL B 80 18.981 -4.620 -2.968 1.00 0.00 N ATOM 632 CA VAL B 80 20.109 -5.095 -3.761 1.00 0.00 C ATOM 633 C VAL B 80 21.416 -4.972 -2.987 1.00 0.00 C ATOM 634 O VAL B 80 22.301 -5.819 -3.105 1.00 0.00 O ATOM 635 CB VAL B 80 20.233 -4.315 -5.083 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.334 -4.905 -5.951 1.00 0.00 C ATOM 637 CG2 VAL B 80 18.904 -4.309 -5.825 1.00 0.00 C ATOM 0 H VAL B 80 18.445 -3.870 -3.404 1.00 0.00 H new ATOM 0 HA VAL B 80 19.920 -6.145 -3.983 1.00 0.00 H new ATOM 0 HB VAL B 80 20.499 -3.284 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.406 -4.340 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.284 -4.852 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.102 -5.946 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.010 -3.753 -6.757 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.606 -5.334 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.143 -3.835 -5.205 1.00 0.00 H new ATOM 647 N MET B 81 21.531 -3.911 -2.194 1.00 0.00 N ATOM 648 CA MET B 81 22.730 -3.679 -1.398 1.00 0.00 C ATOM 649 C MET B 81 22.900 -4.764 -0.340 1.00 0.00 C ATOM 650 O MET B 81 23.987 -5.315 -0.172 1.00 0.00 O ATOM 651 CB MET B 81 22.666 -2.304 -0.729 1.00 0.00 C ATOM 652 CG MET B 81 23.068 -1.162 -1.648 1.00 0.00 C ATOM 653 SD MET B 81 24.751 -0.588 -1.346 1.00 0.00 S ATOM 654 CE MET B 81 24.733 0.981 -2.210 1.00 0.00 C ATOM 0 H MET B 81 20.809 -3.199 -2.086 1.00 0.00 H new ATOM 0 HA MET B 81 23.590 -3.711 -2.066 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.652 -2.131 -0.370 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.318 -2.303 0.145 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.979 -1.487 -2.685 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.375 -0.331 -1.514 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.708 1.460 -2.115 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.512 0.813 -3.264 1.00 0.00 H new ATOM 0 HE3 MET B 81 23.968 1.626 -1.777 1.00 0.00 H new ATOM 664 N ALA B 82 21.818 -5.067 0.370 1.00 0.00 N ATOM 665 CA ALA B 82 21.847 -6.088 1.410 1.00 0.00 C ATOM 666 C ALA B 82 22.171 -7.458 0.824 1.00 0.00 C ATOM 667 O ALA B 82 22.899 -8.245 1.427 1.00 0.00 O ATOM 668 CB ALA B 82 20.518 -6.127 2.148 1.00 0.00 C ATOM 0 H ALA B 82 20.910 -4.620 0.244 1.00 0.00 H new ATOM 0 HA ALA B 82 22.635 -5.829 2.118 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.554 -6.894 2.922 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.328 -5.157 2.607 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.718 -6.358 1.445 1.00 0.00 H new ATOM 674 N GLY B 83 21.623 -7.738 -0.354 1.00 0.00 N ATOM 675 CA GLY B 83 21.864 -9.014 -1.001 1.00 0.00 C ATOM 676 C GLY B 83 23.266 -9.121 -1.567 1.00 0.00 C ATOM 677 O GLY B 83 24.010 -10.043 -1.232 1.00 0.00 O ATOM 0 H GLY B 83 21.016 -7.103 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.703 -9.818 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.140 -9.154 -1.804 1.00 0.00 H new ATOM 681 N VAL B 84 23.627 -8.177 -2.431 1.00 0.00 N ATOM 682 CA VAL B 84 24.949 -8.170 -3.046 1.00 0.00 C ATOM 683 C VAL B 84 26.047 -8.197 -1.989 1.00 0.00 C ATOM 684 O VAL B 84 26.977 -9.000 -2.066 1.00 0.00 O ATOM 685 CB VAL B 84 25.144 -6.932 -3.942 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.557 -6.896 -4.503 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.116 -6.920 -5.064 1.00 0.00 C ATOM 0 H VAL B 84 23.023 -7.408 -2.721 1.00 0.00 H new ATOM 0 HA VAL B 84 25.018 -9.068 -3.660 1.00 0.00 H new ATOM 0 HB VAL B 84 24.997 -6.039 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.676 -6.015 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.273 -6.855 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.736 -7.793 -5.096 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.268 -6.039 -5.687 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.230 -7.818 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.113 -6.894 -4.638 1.00 0.00 H new ATOM 697 N ILE B 85 25.934 -7.313 -1.003 1.00 0.00 N ATOM 698 CA ILE B 85 26.916 -7.237 0.071 1.00 0.00 C ATOM 699 C ILE B 85 26.947 -8.528 0.881 1.00 0.00 C ATOM 700 O ILE B 85 28.011 -9.095 1.126 1.00 0.00 O ATOM 701 CB ILE B 85 26.626 -6.057 1.017 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.771 -4.729 0.271 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.558 -6.100 2.218 1.00 0.00 C ATOM 704 CD1 ILE B 85 26.136 -3.559 0.990 1.00 0.00 C ATOM 0 H ILE B 85 25.172 -6.639 -0.926 1.00 0.00 H new ATOM 0 HA ILE B 85 27.887 -7.084 -0.400 1.00 0.00 H new ATOM 0 HB ILE B 85 25.600 -6.141 1.375 1.00 0.00 H new ATOM 0 HG12 ILE B 85 27.830 -4.520 0.120 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.321 -4.826 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.341 -5.260 2.877 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.410 -7.034 2.760 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.592 -6.037 1.879 1.00 0.00 H new ATOM 0 HD11 ILE B 85 26.278 -2.651 0.403 1.00 0.00 H new ATOM 0 HD12 ILE B 85 25.070 -3.746 1.118 1.00 0.00 H new ATOM 0 HD13 ILE B 85 26.603 -3.436 1.967 1.00 0.00 H new ATOM 716 N GLY B 86 25.770 -8.989 1.294 1.00 0.00 N ATOM 717 CA GLY B 86 25.683 -10.212 2.071 1.00 0.00 C ATOM 718 C GLY B 86 26.248 -11.409 1.333 1.00 0.00 C ATOM 719 O GLY B 86 26.849 -12.296 1.940 1.00 0.00 O ATOM 0 H GLY B 86 24.875 -8.537 1.104 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.221 -10.081 3.010 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.641 -10.404 2.325 1.00 0.00 H new ATOM 723 N THR B 87 26.054 -11.437 0.018 1.00 0.00 N ATOM 724 CA THR B 87 26.546 -12.536 -0.803 1.00 0.00 C ATOM 725 C THR B 87 28.069 -12.527 -0.880 1.00 0.00 C ATOM 726 O THR B 87 28.724 -13.497 -0.500 1.00 0.00 O ATOM 727 CB THR B 87 25.971 -12.471 -2.231 1.00 0.00 C ATOM 728 OG1 THR B 87 24.540 -12.506 -2.185 1.00 0.00 O ATOM 729 CG2 THR B 87 26.485 -13.628 -3.074 1.00 0.00 C ATOM 0 H THR B 87 25.560 -10.711 -0.501 1.00 0.00 H new ATOM 0 HA THR B 87 26.215 -13.459 -0.327 1.00 0.00 H new ATOM 0 HB THR B 87 26.296 -11.537 -2.688 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.212 -11.765 -1.634 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.066 -13.561 -4.078 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.573 -13.582 -3.131 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.186 -14.572 -2.618 1.00 0.00 H new ATOM 737 N ILE B 88 28.625 -11.425 -1.372 1.00 0.00 N ATOM 738 CA ILE B 88 30.071 -11.290 -1.496 1.00 0.00 C ATOM 739 C ILE B 88 30.759 -11.486 -0.149 1.00 0.00 C ATOM 740 O ILE B 88 31.834 -12.081 -0.070 1.00 0.00 O ATOM 741 CB ILE B 88 30.461 -9.912 -2.063 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.807 -9.695 -3.430 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.974 -9.792 -2.170 1.00 0.00 C ATOM 744 CD1 ILE B 88 30.086 -8.332 -4.024 1.00 0.00 C ATOM 0 H ILE B 88 28.096 -10.613 -1.691 1.00 0.00 H new ATOM 0 HA ILE B 88 30.402 -12.065 -2.187 1.00 0.00 H new ATOM 0 HB ILE B 88 30.102 -9.141 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.161 -10.462 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.729 -9.826 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.234 -8.813 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.419 -9.908 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.355 -10.569 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.592 -8.249 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.707 -7.559 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.161 -8.205 -4.153 1.00 0.00 H new ATOM 756 N LEU B 89 30.131 -10.983 0.908 1.00 0.00 N ATOM 757 CA LEU B 89 30.681 -11.104 2.253 1.00 0.00 C ATOM 758 C LEU B 89 30.728 -12.564 2.693 1.00 0.00 C ATOM 759 O LEU B 89 31.775 -13.067 3.104 1.00 0.00 O ATOM 760 CB LEU B 89 29.847 -10.289 3.242 1.00 0.00 C ATOM 761 CG LEU B 89 30.203 -8.806 3.358 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.240 -8.098 4.298 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.638 -8.638 3.835 1.00 0.00 C ATOM 0 H LEU B 89 29.241 -10.488 0.859 1.00 0.00 H new ATOM 0 HA LEU B 89 31.699 -10.715 2.238 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.799 -10.369 2.955 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.943 -10.743 4.228 1.00 0.00 H new ATOM 0 HG LEU B 89 30.114 -8.352 2.371 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.509 -7.044 4.368 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.224 -8.189 3.914 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.296 -8.553 5.287 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.874 -7.577 3.912 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.754 -9.107 4.812 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.316 -9.110 3.123 1.00 0.00 H new ATOM 775 N LEU B 90 29.588 -13.241 2.603 1.00 0.00 N ATOM 776 CA LEU B 90 29.499 -14.645 2.989 1.00 0.00 C ATOM 777 C LEU B 90 30.532 -15.482 2.242 1.00 0.00 C ATOM 778 O LEU B 90 31.268 -16.262 2.847 1.00 0.00 O ATOM 779 CB LEU B 90 28.094 -15.182 2.712 1.00 0.00 C ATOM 780 CG LEU B 90 27.607 -16.297 3.638 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.088 -16.340 3.669 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.172 -17.640 3.197 1.00 0.00 C ATOM 0 H LEU B 90 28.713 -12.840 2.266 1.00 0.00 H new ATOM 0 HA LEU B 90 29.705 -14.716 4.057 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.391 -14.352 2.775 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.063 -15.549 1.686 1.00 0.00 H new ATOM 0 HG LEU B 90 27.964 -16.088 4.646 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.760 -17.140 4.333 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.704 -15.387 4.032 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.709 -16.525 2.664 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.815 -18.422 3.867 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.845 -17.856 2.180 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.261 -17.604 3.228 1.00 0.00 H new ATOM 794 N ILE B 91 30.583 -15.312 0.925 1.00 0.00 N ATOM 795 CA ILE B 91 31.529 -16.050 0.096 1.00 0.00 C ATOM 796 C ILE B 91 32.967 -15.672 0.434 1.00 0.00 C ATOM 797 O ILE B 91 33.779 -16.529 0.783 1.00 0.00 O ATOM 798 CB ILE B 91 31.282 -15.795 -1.402 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.858 -16.206 -1.784 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.301 -16.550 -2.243 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.529 -15.961 -3.240 1.00 0.00 C ATOM 0 H ILE B 91 29.981 -14.670 0.409 1.00 0.00 H new ATOM 0 HA ILE B 91 31.375 -17.108 0.307 1.00 0.00 H new ATOM 0 HB ILE B 91 31.397 -14.729 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.722 -17.265 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.151 -15.657 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.113 -16.360 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.305 -16.213 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.215 -17.619 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.505 -16.275 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.633 -14.899 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.213 -16.532 -3.869 1.00 0.00 H new ATOM 813 N SER B 92 33.275 -14.383 0.331 1.00 0.00 N ATOM 814 CA SER B 92 34.616 -13.891 0.624 1.00 0.00 C ATOM 815 C SER B 92 35.055 -14.312 2.023 1.00 0.00 C ATOM 816 O SER B 92 36.249 -14.420 2.305 1.00 0.00 O ATOM 817 CB SER B 92 34.662 -12.367 0.500 1.00 0.00 C ATOM 818 OG SER B 92 33.933 -11.748 1.546 1.00 0.00 O ATOM 0 H SER B 92 32.614 -13.660 0.047 1.00 0.00 H new ATOM 0 HA SER B 92 35.303 -14.328 -0.101 1.00 0.00 H new ATOM 0 HB2 SER B 92 35.698 -12.028 0.524 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.250 -12.065 -0.463 1.00 0.00 H new ATOM 0 HG SER B 92 32.973 -11.865 1.389 1.00 0.00 H new ATOM 824 N TYR B 93 34.082 -14.550 2.895 1.00 0.00 N ATOM 825 CA TYR B 93 34.367 -14.957 4.266 1.00 0.00 C ATOM 826 C TYR B 93 34.892 -16.389 4.311 1.00 0.00 C ATOM 827 O TYR B 93 35.959 -16.654 4.863 1.00 0.00 O ATOM 828 CB TYR B 93 33.109 -14.836 5.128 1.00 0.00 C ATOM 829 CG TYR B 93 33.348 -15.127 6.592 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.351 -16.432 7.069 1.00 0.00 C ATOM 831 CD2 TYR B 93 33.570 -14.098 7.498 1.00 0.00 C ATOM 832 CE1 TYR B 93 33.568 -16.703 8.406 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.789 -14.360 8.837 1.00 0.00 C ATOM 834 CZ TYR B 93 33.787 -15.664 9.286 1.00 0.00 C ATOM 835 OH TYR B 93 34.004 -15.929 10.619 1.00 0.00 O ATOM 0 H TYR B 93 33.089 -14.468 2.677 1.00 0.00 H new ATOM 0 HA TYR B 93 35.136 -14.294 4.662 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.706 -13.828 5.028 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.352 -15.522 4.749 1.00 0.00 H new ATOM 0 HD1 TYR B 93 33.181 -17.248 6.383 1.00 0.00 H new ATOM 0 HD2 TYR B 93 33.571 -13.076 7.150 1.00 0.00 H new ATOM 0 HE1 TYR B 93 33.566 -17.723 8.760 1.00 0.00 H new ATOM 0 HE2 TYR B 93 33.961 -13.548 9.528 1.00 0.00 H new ATOM 0 HH TYR B 93 34.142 -15.087 11.102 1.00 0.00 H new