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 55:sc= -0.428! 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 -145:sc= -0.0469 (180deg=-0.502) USER MOD Single : B 87 THR OG1 : rot 62:sc= -2.38! USER MOD Single : B 92 SER OG : rot 88:sc= 0.842 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.556 -5.082 -4.110 1.00 0.00 N ATOM 79 CA LEU A 75 10.803 -4.409 -4.456 1.00 0.00 C ATOM 80 C LEU A 75 11.982 -5.034 -3.718 1.00 0.00 C ATOM 81 O LEU A 75 13.078 -5.153 -4.267 1.00 0.00 O ATOM 82 CB LEU A 75 10.711 -2.918 -4.122 1.00 0.00 C ATOM 83 CG LEU A 75 9.517 -2.171 -4.717 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.348 -0.816 -4.047 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.685 -2.007 -6.220 1.00 0.00 C ATOM 0 HA LEU A 75 10.965 -4.526 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.678 -2.810 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.625 -2.432 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 75 8.618 -2.759 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.494 -0.298 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.181 -0.956 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.248 -0.221 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.826 -1.473 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.594 -1.441 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.756 -2.989 -6.687 1.00 0.00 H new ATOM 97 N ILE A 76 11.749 -5.434 -2.472 1.00 0.00 N ATOM 98 CA ILE A 76 12.792 -6.051 -1.661 1.00 0.00 C ATOM 99 C ILE A 76 13.202 -7.404 -2.229 1.00 0.00 C ATOM 100 O ILE A 76 14.389 -7.726 -2.297 1.00 0.00 O ATOM 101 CB ILE A 76 12.333 -6.237 -0.202 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.914 -4.893 0.399 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.442 -6.870 0.625 1.00 0.00 C ATOM 104 CD1 ILE A 76 13.053 -3.906 0.525 1.00 0.00 C ATOM 0 H ILE A 76 10.848 -5.342 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 76 13.648 -5.377 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 76 11.471 -6.904 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.132 -4.455 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.481 -5.064 1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.103 -6.995 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.698 -7.843 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.321 -6.226 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.683 -2.977 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.827 -4.324 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.471 -3.705 -0.461 1.00 0.00 H new ATOM 116 N ILE A 77 12.214 -8.193 -2.639 1.00 0.00 N ATOM 117 CA ILE A 77 12.473 -9.511 -3.205 1.00 0.00 C ATOM 118 C ILE A 77 13.212 -9.402 -4.534 1.00 0.00 C ATOM 119 O ILE A 77 14.303 -9.950 -4.696 1.00 0.00 O ATOM 120 CB ILE A 77 11.167 -10.298 -3.420 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.572 -10.719 -2.074 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.419 -11.514 -4.297 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.404 -11.749 -1.342 1.00 0.00 C ATOM 0 H ILE A 77 11.227 -7.942 -2.590 1.00 0.00 H new ATOM 0 HA ILE A 77 13.096 -10.046 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 77 10.450 -9.652 -3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.462 -9.837 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.572 -11.121 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.486 -12.060 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.802 -11.191 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.150 -12.164 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.923 -12.001 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.493 -12.647 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.397 -11.343 -1.147 1.00 0.00 H new ATOM 135 N PHE A 78 12.613 -8.690 -5.482 1.00 0.00 N ATOM 136 CA PHE A 78 13.215 -8.509 -6.798 1.00 0.00 C ATOM 137 C PHE A 78 14.565 -7.806 -6.686 1.00 0.00 C ATOM 138 O PHE A 78 15.463 -8.032 -7.495 1.00 0.00 O ATOM 139 CB PHE A 78 12.281 -7.702 -7.703 1.00 0.00 C ATOM 140 CG PHE A 78 12.910 -7.297 -9.005 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.622 -6.112 -9.106 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.791 -8.101 -10.127 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.201 -5.737 -10.304 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.368 -7.731 -11.327 1.00 0.00 C ATOM 145 CZ PHE A 78 14.075 -6.548 -11.415 1.00 0.00 C ATOM 0 H PHE A 78 11.711 -8.229 -5.364 1.00 0.00 H new ATOM 0 HA PHE A 78 13.373 -9.494 -7.237 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.388 -8.292 -7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.957 -6.807 -7.172 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.725 -5.475 -8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.241 -9.028 -10.063 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.752 -4.810 -10.371 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.266 -8.366 -12.195 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.529 -6.257 -12.351 1.00 0.00 H new ATOM 155 N GLY A 79 14.699 -6.952 -5.676 1.00 0.00 N ATOM 156 CA GLY A 79 15.941 -6.228 -5.476 1.00 0.00 C ATOM 157 C GLY A 79 17.075 -7.133 -5.036 1.00 0.00 C ATOM 158 O GLY A 79 18.063 -7.296 -5.752 1.00 0.00 O ATOM 0 H GLY A 79 13.970 -6.749 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.219 -5.727 -6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.789 -5.451 -4.727 1.00 0.00 H new ATOM 162 N VAL A 80 16.934 -7.723 -3.853 1.00 0.00 N ATOM 163 CA VAL A 80 17.954 -8.615 -3.317 1.00 0.00 C ATOM 164 C VAL A 80 18.236 -9.766 -4.276 1.00 0.00 C ATOM 165 O VAL A 80 19.374 -10.220 -4.399 1.00 0.00 O ATOM 166 CB VAL A 80 17.535 -9.191 -1.951 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.599 -10.142 -1.424 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.272 -8.069 -0.958 1.00 0.00 C ATOM 0 H VAL A 80 16.122 -7.599 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 80 18.859 -8.021 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 80 16.611 -9.754 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.286 -10.539 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.734 -10.963 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.541 -9.606 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.977 -8.494 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.178 -7.477 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.472 -7.431 -1.333 1.00 0.00 H new ATOM 178 N MET A 81 17.194 -10.232 -4.955 1.00 0.00 N ATOM 179 CA MET A 81 17.330 -11.330 -5.906 1.00 0.00 C ATOM 180 C MET A 81 18.196 -10.917 -7.092 1.00 0.00 C ATOM 181 O MET A 81 19.105 -11.644 -7.492 1.00 0.00 O ATOM 182 CB MET A 81 15.953 -11.781 -6.398 1.00 0.00 C ATOM 183 CG MET A 81 15.244 -12.723 -5.438 1.00 0.00 C ATOM 184 SD MET A 81 15.518 -14.459 -5.839 1.00 0.00 S ATOM 185 CE MET A 81 15.387 -15.206 -4.216 1.00 0.00 C ATOM 0 H MET A 81 16.246 -9.867 -4.865 1.00 0.00 H new ATOM 0 HA MET A 81 17.816 -12.162 -5.396 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.328 -10.903 -6.560 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.065 -12.275 -7.363 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.591 -12.530 -4.423 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.174 -12.515 -5.455 1.00 0.00 H new ATOM 0 HE1 MET A 81 15.534 -16.283 -4.298 1.00 0.00 H new ATOM 0 HE2 MET A 81 16.148 -14.785 -3.559 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.399 -15.005 -3.802 1.00 0.00 H new ATOM 195 N ALA A 82 17.908 -9.746 -7.650 1.00 0.00 N ATOM 196 CA ALA A 82 18.661 -9.236 -8.789 1.00 0.00 C ATOM 197 C ALA A 82 20.123 -9.003 -8.420 1.00 0.00 C ATOM 198 O ALA A 82 21.023 -9.266 -9.216 1.00 0.00 O ATOM 199 CB ALA A 82 18.033 -7.950 -9.305 1.00 0.00 C ATOM 0 H ALA A 82 17.158 -9.132 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 82 18.628 -9.985 -9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.606 -7.581 -10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.007 -8.146 -9.616 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.035 -7.201 -8.513 1.00 0.00 H new ATOM 205 N GLY A 83 20.350 -8.507 -7.208 1.00 0.00 N ATOM 206 CA GLY A 83 21.704 -8.246 -6.756 1.00 0.00 C ATOM 207 C GLY A 83 22.468 -9.518 -6.446 1.00 0.00 C ATOM 208 O GLY A 83 23.537 -9.761 -7.006 1.00 0.00 O ATOM 0 H GLY A 83 19.621 -8.281 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.237 -7.683 -7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.672 -7.619 -5.865 1.00 0.00 H new ATOM 212 N VAL A 84 21.919 -10.332 -5.550 1.00 0.00 N ATOM 213 CA VAL A 84 22.556 -11.586 -5.166 1.00 0.00 C ATOM 214 C VAL A 84 22.840 -12.455 -6.386 1.00 0.00 C ATOM 215 O VAL A 84 23.960 -12.930 -6.575 1.00 0.00 O ATOM 216 CB VAL A 84 21.681 -12.380 -4.177 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.321 -13.722 -3.857 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.447 -11.575 -2.908 1.00 0.00 C ATOM 0 H VAL A 84 21.035 -10.146 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 84 23.497 -11.327 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 84 20.714 -12.568 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.689 -14.269 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.432 -14.300 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.302 -13.560 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.827 -12.151 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.404 -11.354 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.942 -10.642 -3.157 1.00 0.00 H new ATOM 228 N ILE A 85 21.819 -12.657 -7.212 1.00 0.00 N ATOM 229 CA ILE A 85 21.960 -13.467 -8.416 1.00 0.00 C ATOM 230 C ILE A 85 23.007 -12.878 -9.356 1.00 0.00 C ATOM 231 O ILE A 85 23.911 -13.577 -9.811 1.00 0.00 O ATOM 232 CB ILE A 85 20.623 -13.592 -9.170 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.608 -14.368 -8.327 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.834 -14.274 -10.514 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.991 -15.813 -8.099 1.00 0.00 C ATOM 0 H ILE A 85 20.886 -12.271 -7.070 1.00 0.00 H new ATOM 0 HA ILE A 85 22.281 -14.458 -8.094 1.00 0.00 H new ATOM 0 HB ILE A 85 20.230 -12.592 -9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.496 -13.874 -7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.636 -14.331 -8.819 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.880 -14.355 -11.035 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.527 -13.686 -11.116 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.246 -15.270 -10.356 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.227 -16.301 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.075 -16.323 -9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.948 -15.858 -7.579 1.00 0.00 H new ATOM 247 N GLY A 86 22.879 -11.585 -9.641 1.00 0.00 N ATOM 248 CA GLY A 86 23.821 -10.923 -10.523 1.00 0.00 C ATOM 249 C GLY A 86 25.247 -11.007 -10.016 1.00 0.00 C ATOM 250 O GLY A 86 26.180 -11.214 -10.793 1.00 0.00 O ATOM 0 H GLY A 86 22.139 -10.985 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.764 -11.373 -11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.538 -9.876 -10.632 1.00 0.00 H new ATOM 254 N THR A 87 25.419 -10.843 -8.708 1.00 0.00 N ATOM 255 CA THR A 87 26.742 -10.898 -8.098 1.00 0.00 C ATOM 256 C THR A 87 27.375 -12.272 -8.282 1.00 0.00 C ATOM 257 O THR A 87 28.451 -12.396 -8.870 1.00 0.00 O ATOM 258 CB THR A 87 26.681 -10.571 -6.594 1.00 0.00 C ATOM 259 OG1 THR A 87 26.111 -9.272 -6.397 1.00 0.00 O ATOM 260 CG2 THR A 87 28.068 -10.622 -5.972 1.00 0.00 C ATOM 0 H THR A 87 24.658 -10.671 -8.051 1.00 0.00 H new ATOM 0 HA THR A 87 27.353 -10.149 -8.601 1.00 0.00 H new ATOM 0 HB THR A 87 26.055 -11.319 -6.108 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.237 -9.228 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.999 -10.388 -4.910 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.486 -11.621 -6.097 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.714 -9.894 -6.463 1.00 0.00 H new ATOM 268 N ILE A 88 26.703 -13.301 -7.778 1.00 0.00 N ATOM 269 CA ILE A 88 27.201 -14.667 -7.890 1.00 0.00 C ATOM 270 C ILE A 88 27.497 -15.027 -9.341 1.00 0.00 C ATOM 271 O ILE A 88 28.532 -15.621 -9.646 1.00 0.00 O ATOM 272 CB ILE A 88 26.194 -15.682 -7.316 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.895 -15.363 -5.850 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.731 -17.098 -7.457 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.759 -16.178 -5.274 1.00 0.00 C ATOM 0 H ILE A 88 25.812 -13.215 -7.288 1.00 0.00 H new ATOM 0 HA ILE A 88 28.123 -14.715 -7.311 1.00 0.00 H new ATOM 0 HB ILE A 88 25.265 -15.609 -7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.793 -15.538 -5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.654 -14.304 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 88 26.008 -17.804 -7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.898 -17.321 -8.511 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.672 -17.186 -6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.603 -15.899 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.849 -15.985 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 88 25.005 -17.238 -5.333 1.00 0.00 H new ATOM 287 N LEU A 89 26.584 -14.662 -10.234 1.00 0.00 N ATOM 288 CA LEU A 89 26.747 -14.944 -11.656 1.00 0.00 C ATOM 289 C LEU A 89 28.054 -14.357 -12.181 1.00 0.00 C ATOM 290 O LEU A 89 28.846 -15.051 -12.819 1.00 0.00 O ATOM 291 CB LEU A 89 25.566 -14.380 -12.447 1.00 0.00 C ATOM 292 CG LEU A 89 24.371 -15.316 -12.628 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.242 -14.605 -13.359 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.786 -16.573 -13.378 1.00 0.00 C ATOM 0 H LEU A 89 25.722 -14.170 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 89 26.778 -16.026 -11.786 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.220 -13.474 -11.949 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.923 -14.085 -13.434 1.00 0.00 H new ATOM 0 HG LEU A 89 24.011 -15.608 -11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.400 -15.287 -13.479 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.926 -13.736 -12.782 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.590 -14.283 -14.340 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.922 -17.227 -13.497 1.00 0.00 H new ATOM 0 HD22 LEU A 89 25.173 -16.300 -14.360 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.561 -17.094 -12.815 1.00 0.00 H new ATOM 306 N LEU A 90 28.272 -13.076 -11.907 1.00 0.00 N ATOM 307 CA LEU A 90 29.484 -12.395 -12.349 1.00 0.00 C ATOM 308 C LEU A 90 30.727 -13.070 -11.779 1.00 0.00 C ATOM 309 O LEU A 90 31.725 -13.248 -12.478 1.00 0.00 O ATOM 310 CB LEU A 90 29.450 -10.925 -11.928 1.00 0.00 C ATOM 311 CG LEU A 90 30.189 -9.947 -12.841 1.00 0.00 C ATOM 312 CD1 LEU A 90 31.681 -10.243 -12.844 1.00 0.00 C ATOM 313 CD2 LEU A 90 29.629 -10.010 -14.255 1.00 0.00 C ATOM 0 H LEU A 90 27.626 -12.488 -11.381 1.00 0.00 H new ATOM 0 HA LEU A 90 29.527 -12.454 -13.437 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.408 -10.611 -11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.872 -10.845 -10.926 1.00 0.00 H new ATOM 0 HG LEU A 90 30.040 -8.938 -12.457 1.00 0.00 H new ATOM 0 HD11 LEU A 90 32.191 -9.537 -13.499 1.00 0.00 H new ATOM 0 HD12 LEU A 90 32.073 -10.146 -11.832 1.00 0.00 H new ATOM 0 HD13 LEU A 90 31.850 -11.258 -13.203 1.00 0.00 H new ATOM 0 HD21 LEU A 90 30.167 -9.307 -14.891 1.00 0.00 H new ATOM 0 HD22 LEU A 90 29.747 -11.020 -14.649 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.571 -9.748 -14.239 1.00 0.00 H new ATOM 325 N ILE A 91 30.659 -13.446 -10.506 1.00 0.00 N ATOM 326 CA ILE A 91 31.778 -14.104 -9.844 1.00 0.00 C ATOM 327 C ILE A 91 32.052 -15.473 -10.457 1.00 0.00 C ATOM 328 O ILE A 91 33.116 -15.707 -11.030 1.00 0.00 O ATOM 329 CB ILE A 91 31.519 -14.273 -8.335 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.342 -12.907 -7.670 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.659 -15.042 -7.684 1.00 0.00 C ATOM 332 CD1 ILE A 91 32.618 -12.097 -7.605 1.00 0.00 C ATOM 0 H ILE A 91 29.841 -13.306 -9.913 1.00 0.00 H new ATOM 0 HA ILE A 91 32.649 -13.464 -9.986 1.00 0.00 H new ATOM 0 HB ILE A 91 30.600 -14.843 -8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 91 30.589 -12.340 -8.217 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.960 -13.051 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.461 -15.153 -6.618 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.741 -16.028 -8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.593 -14.497 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 91 32.418 -11.141 -7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 91 33.367 -12.644 -7.032 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.990 -11.922 -8.615 1.00 0.00 H new ATOM 344 N SER A 92 31.083 -16.375 -10.335 1.00 0.00 N ATOM 345 CA SER A 92 31.219 -17.722 -10.876 1.00 0.00 C ATOM 346 C SER A 92 31.636 -17.679 -12.343 1.00 0.00 C ATOM 347 O SER A 92 32.321 -18.578 -12.832 1.00 0.00 O ATOM 348 CB SER A 92 29.904 -18.489 -10.729 1.00 0.00 C ATOM 349 OG SER A 92 29.784 -19.054 -9.435 1.00 0.00 O ATOM 0 H SER A 92 30.195 -16.197 -9.866 1.00 0.00 H new ATOM 0 HA SER A 92 31.996 -18.237 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.065 -17.818 -10.915 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.854 -19.278 -11.480 1.00 0.00 H new ATOM 0 HG SER A 92 28.934 -19.537 -9.367 1.00 0.00 H new ATOM 355 N TYR A 93 31.217 -16.628 -13.039 1.00 0.00 N ATOM 356 CA TYR A 93 31.543 -16.468 -14.451 1.00 0.00 C ATOM 357 C TYR A 93 33.023 -16.147 -14.635 1.00 0.00 C ATOM 358 O TYR A 93 33.724 -16.814 -15.395 1.00 0.00 O ATOM 359 CB TYR A 93 30.689 -15.361 -15.071 1.00 0.00 C ATOM 360 CG TYR A 93 30.885 -15.207 -16.562 1.00 0.00 C ATOM 361 CD1 TYR A 93 30.635 -16.265 -17.428 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.321 -14.005 -17.106 1.00 0.00 C ATOM 363 CE1 TYR A 93 30.814 -16.130 -18.791 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.501 -13.861 -18.468 1.00 0.00 C ATOM 365 CZ TYR A 93 31.246 -14.926 -19.306 1.00 0.00 C ATOM 366 OH TYR A 93 31.425 -14.786 -20.663 1.00 0.00 O ATOM 0 H TYR A 93 30.651 -15.875 -12.649 1.00 0.00 H new ATOM 0 HA TYR A 93 31.328 -17.410 -14.956 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.638 -15.570 -14.871 1.00 0.00 H new ATOM 0 HB3 TYR A 93 30.925 -14.415 -14.583 1.00 0.00 H new ATOM 0 HD1 TYR A 93 30.295 -17.209 -17.028 1.00 0.00 H new ATOM 0 HD2 TYR A 93 31.523 -13.169 -16.453 1.00 0.00 H new ATOM 0 HE1 TYR A 93 30.617 -16.963 -19.450 1.00 0.00 H new ATOM 0 HE2 TYR A 93 31.840 -12.919 -18.874 1.00 0.00 H new ATOM 0 HH TYR A 93 31.731 -13.876 -20.860 1.00 0.00 H new ATOM 547 N LEU B 75 13.714 1.015 -1.370 1.00 0.00 N ATOM 548 CA LEU B 75 13.650 -0.422 -1.126 1.00 0.00 C ATOM 549 C LEU B 75 14.588 -1.175 -2.064 1.00 0.00 C ATOM 550 O LEU B 75 15.207 -2.166 -1.674 1.00 0.00 O ATOM 551 CB LEU B 75 12.217 -0.927 -1.306 1.00 0.00 C ATOM 552 CG LEU B 75 11.117 -0.053 -0.702 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.759 -0.718 -0.862 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.405 0.228 0.766 1.00 0.00 C ATOM 0 HA LEU B 75 13.967 -0.606 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.023 -1.035 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.146 -1.922 -0.866 1.00 0.00 H new ATOM 0 HG LEU B 75 11.099 0.897 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.989 -0.082 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.550 -0.868 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.764 -1.682 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.612 0.851 1.180 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.450 -0.713 1.314 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.359 0.747 0.857 1.00 0.00 H new ATOM 566 N ILE B 76 14.689 -0.698 -3.300 1.00 0.00 N ATOM 567 CA ILE B 76 15.554 -1.325 -4.291 1.00 0.00 C ATOM 568 C ILE B 76 17.024 -1.172 -3.914 1.00 0.00 C ATOM 569 O ILE B 76 17.818 -2.098 -4.080 1.00 0.00 O ATOM 570 CB ILE B 76 15.331 -0.726 -5.693 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.868 -0.887 -6.112 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.253 -1.388 -6.705 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.448 -2.328 -6.299 1.00 0.00 C ATOM 0 H ILE B 76 14.183 0.120 -3.639 1.00 0.00 H new ATOM 0 HA ILE B 76 15.294 -2.383 -4.311 1.00 0.00 H new ATOM 0 HB ILE B 76 15.566 0.338 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.230 -0.426 -5.358 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.704 -0.345 -7.043 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.083 -0.954 -7.690 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.290 -1.227 -6.412 1.00 0.00 H new ATOM 0 HG23 ILE B 76 16.047 -2.458 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.400 -2.366 -6.595 1.00 0.00 H new ATOM 0 HD12 ILE B 76 14.061 -2.788 -7.074 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.580 -2.870 -5.363 1.00 0.00 H new ATOM 585 N ILE B 77 17.379 0.003 -3.405 1.00 0.00 N ATOM 586 CA ILE B 77 18.753 0.277 -3.002 1.00 0.00 C ATOM 587 C ILE B 77 19.158 -0.585 -1.811 1.00 0.00 C ATOM 588 O ILE B 77 20.118 -1.352 -1.884 1.00 0.00 O ATOM 589 CB ILE B 77 18.947 1.760 -2.637 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.762 2.641 -3.874 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.323 1.979 -2.025 1.00 0.00 C ATOM 592 CD1 ILE B 77 18.284 4.040 -3.554 1.00 0.00 C ATOM 0 H ILE B 77 16.734 0.780 -3.262 1.00 0.00 H new ATOM 0 HA ILE B 77 19.387 0.035 -3.855 1.00 0.00 H new ATOM 0 HB ILE B 77 18.194 2.039 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE B 77 19.709 2.703 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.046 2.166 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.445 3.032 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.420 1.376 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.091 1.686 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE B 77 18.175 4.608 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE B 77 17.322 3.988 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE B 77 19.010 4.534 -2.908 1.00 0.00 H new ATOM 604 N PHE B 78 18.418 -0.456 -0.715 1.00 0.00 N ATOM 605 CA PHE B 78 18.699 -1.224 0.493 1.00 0.00 C ATOM 606 C PHE B 78 18.589 -2.721 0.223 1.00 0.00 C ATOM 607 O PHE B 78 19.289 -3.527 0.835 1.00 0.00 O ATOM 608 CB PHE B 78 17.736 -0.824 1.613 1.00 0.00 C ATOM 609 CG PHE B 78 17.834 -1.701 2.828 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.076 -2.856 2.928 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.684 -1.370 3.871 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.163 -3.664 4.046 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.776 -2.175 4.991 1.00 0.00 C ATOM 614 CZ PHE B 78 18.015 -3.324 5.078 1.00 0.00 C ATOM 0 H PHE B 78 17.619 0.173 -0.638 1.00 0.00 H new ATOM 0 HA PHE B 78 19.720 -1.003 0.805 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.936 0.208 1.902 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.715 -0.856 1.233 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.409 -3.128 2.123 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.282 -0.473 3.808 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.565 -4.561 4.112 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.442 -1.906 5.797 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.086 -3.955 5.951 1.00 0.00 H new ATOM 624 N GLY B 79 17.704 -3.087 -0.700 1.00 0.00 N ATOM 625 CA GLY B 79 17.517 -4.487 -1.035 1.00 0.00 C ATOM 626 C GLY B 79 18.717 -5.076 -1.750 1.00 0.00 C ATOM 627 O GLY B 79 19.382 -5.971 -1.229 1.00 0.00 O ATOM 0 H GLY B 79 17.114 -2.439 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.327 -5.053 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.634 -4.592 -1.666 1.00 0.00 H new ATOM 631 N VAL B 80 18.993 -4.575 -2.950 1.00 0.00 N ATOM 632 CA VAL B 80 20.120 -5.059 -3.739 1.00 0.00 C ATOM 633 C VAL B 80 21.427 -4.938 -2.962 1.00 0.00 C ATOM 634 O VAL B 80 22.313 -5.784 -3.084 1.00 0.00 O ATOM 635 CB VAL B 80 20.250 -4.285 -5.064 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.444 -4.788 -5.862 1.00 0.00 C ATOM 637 CG2 VAL B 80 18.969 -4.401 -5.877 1.00 0.00 C ATOM 0 H VAL B 80 18.452 -3.835 -3.397 1.00 0.00 H new ATOM 0 HA VAL B 80 19.926 -6.109 -3.957 1.00 0.00 H new ATOM 0 HB VAL B 80 20.414 -3.232 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.520 -4.229 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.355 -4.648 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.314 -5.847 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.079 -3.848 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.772 -5.450 -6.098 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.137 -3.988 -5.306 1.00 0.00 H new ATOM 647 N MET B 81 21.538 -3.882 -2.164 1.00 0.00 N ATOM 648 CA MET B 81 22.737 -3.652 -1.365 1.00 0.00 C ATOM 649 C MET B 81 22.909 -4.746 -0.315 1.00 0.00 C ATOM 650 O MET B 81 23.993 -5.307 -0.163 1.00 0.00 O ATOM 651 CB MET B 81 22.668 -2.283 -0.685 1.00 0.00 C ATOM 652 CG MET B 81 23.017 -1.128 -1.609 1.00 0.00 C ATOM 653 SD MET B 81 24.781 -1.038 -1.972 1.00 0.00 S ATOM 654 CE MET B 81 24.813 -1.658 -3.652 1.00 0.00 C ATOM 0 H MET B 81 20.814 -3.172 -2.053 1.00 0.00 H new ATOM 0 HA MET B 81 23.598 -3.675 -2.033 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.663 -2.132 -0.292 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.348 -2.275 0.167 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.463 -1.234 -2.542 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.696 -0.192 -1.152 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.725 -2.234 -3.810 1.00 0.00 H new ATOM 0 HE2 MET B 81 23.946 -2.297 -3.820 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.787 -0.821 -4.349 1.00 0.00 H new ATOM 664 N ALA B 82 21.833 -5.043 0.405 1.00 0.00 N ATOM 665 CA ALA B 82 21.865 -6.070 1.439 1.00 0.00 C ATOM 666 C ALA B 82 22.171 -7.440 0.842 1.00 0.00 C ATOM 667 O ALA B 82 22.887 -8.242 1.439 1.00 0.00 O ATOM 668 CB ALA B 82 20.543 -6.104 2.191 1.00 0.00 C ATOM 0 H ALA B 82 20.928 -4.587 0.291 1.00 0.00 H new ATOM 0 HA ALA B 82 22.662 -5.821 2.139 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.582 -6.876 2.960 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.365 -5.135 2.658 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.734 -6.326 1.495 1.00 0.00 H new ATOM 674 N GLY B 83 21.623 -7.701 -0.341 1.00 0.00 N ATOM 675 CA GLY B 83 21.849 -8.975 -0.998 1.00 0.00 C ATOM 676 C GLY B 83 23.250 -9.095 -1.563 1.00 0.00 C ATOM 677 O GLY B 83 23.979 -10.034 -1.242 1.00 0.00 O ATOM 0 H GLY B 83 21.027 -7.053 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.677 -9.783 -0.287 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.124 -9.099 -1.803 1.00 0.00 H new ATOM 681 N VAL B 84 23.629 -8.143 -2.411 1.00 0.00 N ATOM 682 CA VAL B 84 24.952 -8.147 -3.023 1.00 0.00 C ATOM 683 C VAL B 84 26.047 -8.213 -1.965 1.00 0.00 C ATOM 684 O VAL B 84 26.971 -9.020 -2.063 1.00 0.00 O ATOM 685 CB VAL B 84 25.170 -6.895 -3.894 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.591 -6.863 -4.435 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.158 -6.854 -5.029 1.00 0.00 C ATOM 0 H VAL B 84 23.038 -7.360 -2.689 1.00 0.00 H new ATOM 0 HA VAL B 84 25.007 -9.034 -3.654 1.00 0.00 H new ATOM 0 HB VAL B 84 25.022 -6.011 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.727 -5.972 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.296 -6.843 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.770 -7.751 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.326 -5.963 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.272 -7.742 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.149 -6.827 -4.616 1.00 0.00 H new ATOM 697 N ILE B 85 25.937 -7.359 -0.953 1.00 0.00 N ATOM 698 CA ILE B 85 26.917 -7.322 0.125 1.00 0.00 C ATOM 699 C ILE B 85 26.928 -8.633 0.904 1.00 0.00 C ATOM 700 O ILE B 85 27.985 -9.211 1.151 1.00 0.00 O ATOM 701 CB ILE B 85 26.639 -6.161 1.099 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.779 -4.818 0.380 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.583 -6.232 2.290 1.00 0.00 C ATOM 704 CD1 ILE B 85 26.078 -3.679 1.086 1.00 0.00 C ATOM 0 H ILE B 85 25.179 -6.683 -0.857 1.00 0.00 H new ATOM 0 HA ILE B 85 27.891 -7.170 -0.340 1.00 0.00 H new ATOM 0 HB ILE B 85 25.616 -6.250 1.465 1.00 0.00 H new ATOM 0 HG12 ILE B 85 27.837 -4.577 0.281 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.377 -4.912 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.375 -5.405 2.969 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.438 -7.177 2.813 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.614 -6.164 1.942 1.00 0.00 H new ATOM 0 HD11 ILE B 85 26.219 -2.758 0.520 1.00 0.00 H new ATOM 0 HD12 ILE B 85 25.013 -3.898 1.162 1.00 0.00 H new ATOM 0 HD13 ILE B 85 26.496 -3.558 2.086 1.00 0.00 H new ATOM 716 N GLY B 86 25.742 -9.098 1.286 1.00 0.00 N ATOM 717 CA GLY B 86 25.638 -10.338 2.032 1.00 0.00 C ATOM 718 C GLY B 86 26.196 -11.522 1.268 1.00 0.00 C ATOM 719 O GLY B 86 26.800 -12.422 1.854 1.00 0.00 O ATOM 0 H GLY B 86 24.852 -8.638 1.092 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.171 -10.236 2.977 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.592 -10.526 2.274 1.00 0.00 H new ATOM 723 N THR B 87 25.994 -11.526 -0.046 1.00 0.00 N ATOM 724 CA THR B 87 26.479 -12.609 -0.892 1.00 0.00 C ATOM 725 C THR B 87 28.002 -12.607 -0.969 1.00 0.00 C ATOM 726 O THR B 87 28.652 -13.593 -0.619 1.00 0.00 O ATOM 727 CB THR B 87 25.905 -12.510 -2.317 1.00 0.00 C ATOM 728 OG1 THR B 87 24.474 -12.471 -2.267 1.00 0.00 O ATOM 729 CG2 THR B 87 26.355 -13.690 -3.165 1.00 0.00 C ATOM 0 H THR B 87 25.497 -10.790 -0.548 1.00 0.00 H new ATOM 0 HA THR B 87 26.142 -13.540 -0.437 1.00 0.00 H new ATOM 0 HB THR B 87 26.278 -11.592 -2.772 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.186 -11.676 -1.771 1.00 0.00 H new ATOM 0 HG21 THR B 87 25.937 -13.598 -4.167 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.443 -13.701 -3.225 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.008 -14.618 -2.711 1.00 0.00 H new ATOM 737 N ILE B 88 28.565 -11.494 -1.427 1.00 0.00 N ATOM 738 CA ILE B 88 30.012 -11.364 -1.547 1.00 0.00 C ATOM 739 C ILE B 88 30.699 -11.612 -0.209 1.00 0.00 C ATOM 740 O ILE B 88 31.772 -12.215 -0.152 1.00 0.00 O ATOM 741 CB ILE B 88 30.410 -9.970 -2.066 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.737 -9.691 -3.411 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.923 -9.865 -2.193 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.892 -8.260 -3.879 1.00 0.00 C ATOM 0 H ILE B 88 28.041 -10.670 -1.721 1.00 0.00 H new ATOM 0 HA ILE B 88 30.339 -12.117 -2.265 1.00 0.00 H new ATOM 0 HB ILE B 88 30.072 -9.221 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.157 -10.358 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.676 -9.926 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.189 -8.874 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.382 -10.025 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.283 -10.620 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.390 -8.135 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.447 -7.587 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE B 88 30.951 -8.026 -3.990 1.00 0.00 H new ATOM 756 N LEU B 89 30.074 -11.145 0.866 1.00 0.00 N ATOM 757 CA LEU B 89 30.624 -11.318 2.206 1.00 0.00 C ATOM 758 C LEU B 89 30.663 -12.793 2.593 1.00 0.00 C ATOM 759 O LEU B 89 31.709 -13.317 2.980 1.00 0.00 O ATOM 760 CB LEU B 89 29.795 -10.533 3.224 1.00 0.00 C ATOM 761 CG LEU B 89 30.149 -9.054 3.382 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.167 -8.367 4.318 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.574 -8.899 3.894 1.00 0.00 C ATOM 0 H LEU B 89 29.186 -10.644 0.836 1.00 0.00 H new ATOM 0 HA LEU B 89 31.645 -10.935 2.205 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.745 -10.606 2.941 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.898 -11.016 4.196 1.00 0.00 H new ATOM 0 HG LEU B 89 30.081 -8.577 2.404 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.435 -7.315 4.418 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.159 -8.448 3.911 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.202 -8.845 5.297 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.809 -7.840 4.001 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.668 -9.391 4.862 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.266 -9.355 3.186 1.00 0.00 H new ATOM 775 N LEU B 90 29.518 -13.458 2.485 1.00 0.00 N ATOM 776 CA LEU B 90 29.421 -14.874 2.822 1.00 0.00 C ATOM 777 C LEU B 90 30.446 -15.690 2.041 1.00 0.00 C ATOM 778 O LEU B 90 31.175 -16.501 2.613 1.00 0.00 O ATOM 779 CB LEU B 90 28.012 -15.392 2.532 1.00 0.00 C ATOM 780 CG LEU B 90 27.522 -16.537 3.419 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.022 -16.432 3.647 1.00 0.00 C ATOM 782 CD2 LEU B 90 27.876 -17.881 2.798 1.00 0.00 C ATOM 0 H LEU B 90 28.644 -13.039 2.167 1.00 0.00 H new ATOM 0 HA LEU B 90 29.630 -14.985 3.886 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.314 -14.560 2.628 1.00 0.00 H new ATOM 0 HB3 LEU B 90 27.974 -15.722 1.494 1.00 0.00 H new ATOM 0 HG LEU B 90 28.021 -16.462 4.385 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.692 -17.255 4.280 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.794 -15.485 4.135 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.504 -16.481 2.689 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.520 -18.685 3.442 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.404 -17.965 1.819 1.00 0.00 H new ATOM 0 HD23 LEU B 90 28.958 -17.957 2.687 1.00 0.00 H new ATOM 794 N ILE B 91 30.496 -15.470 0.731 1.00 0.00 N ATOM 795 CA ILE B 91 31.434 -16.183 -0.127 1.00 0.00 C ATOM 796 C ILE B 91 32.876 -15.830 0.221 1.00 0.00 C ATOM 797 O ILE B 91 33.682 -16.706 0.534 1.00 0.00 O ATOM 798 CB ILE B 91 31.185 -15.870 -1.615 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.758 -16.256 -2.008 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.197 -16.600 -2.486 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.424 -15.946 -3.450 1.00 0.00 C ATOM 0 H ILE B 91 29.898 -14.804 0.241 1.00 0.00 H new ATOM 0 HA ILE B 91 31.272 -17.247 0.044 1.00 0.00 H new ATOM 0 HB ILE B 91 31.307 -14.798 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.617 -17.322 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.057 -15.731 -1.360 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.008 -16.369 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.204 -16.280 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.104 -17.675 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.397 -16.246 -3.658 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.532 -14.876 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.102 -16.492 -4.106 1.00 0.00 H new ATOM 813 N SER B 92 33.193 -14.541 0.166 1.00 0.00 N ATOM 814 CA SER B 92 34.539 -14.071 0.473 1.00 0.00 C ATOM 815 C SER B 92 34.978 -14.545 1.856 1.00 0.00 C ATOM 816 O SER B 92 36.171 -14.671 2.131 1.00 0.00 O ATOM 817 CB SER B 92 34.598 -12.544 0.404 1.00 0.00 C ATOM 818 OG SER B 92 34.373 -12.084 -0.918 1.00 0.00 O ATOM 0 H SER B 92 32.536 -13.803 -0.088 1.00 0.00 H new ATOM 0 HA SER B 92 35.220 -14.488 -0.269 1.00 0.00 H new ATOM 0 HB2 SER B 92 33.851 -12.117 1.073 1.00 0.00 H new ATOM 0 HB3 SER B 92 35.571 -12.198 0.752 1.00 0.00 H new ATOM 0 HG SER B 92 33.411 -11.971 -1.066 1.00 0.00 H new ATOM 824 N TYR B 93 34.004 -14.807 2.720 1.00 0.00 N ATOM 825 CA TYR B 93 34.288 -15.266 4.075 1.00 0.00 C ATOM 826 C TYR B 93 34.811 -16.699 4.067 1.00 0.00 C ATOM 827 O TYR B 93 35.862 -16.991 4.634 1.00 0.00 O ATOM 828 CB TYR B 93 33.030 -15.175 4.941 1.00 0.00 C ATOM 829 CG TYR B 93 33.268 -15.520 6.393 1.00 0.00 C ATOM 830 CD1 TYR B 93 34.200 -14.821 7.150 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.561 -16.546 7.009 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.421 -15.134 8.478 1.00 0.00 C ATOM 833 CE2 TYR B 93 32.775 -16.864 8.336 1.00 0.00 C ATOM 834 CZ TYR B 93 33.706 -16.156 9.066 1.00 0.00 C ATOM 835 OH TYR B 93 33.923 -16.470 10.388 1.00 0.00 O ATOM 0 H TYR B 93 33.011 -14.710 2.507 1.00 0.00 H new ATOM 0 HA TYR B 93 35.058 -14.620 4.496 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.628 -14.164 4.878 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.272 -15.845 4.537 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.761 -14.019 6.693 1.00 0.00 H new ATOM 0 HD2 TYR B 93 31.832 -17.104 6.440 1.00 0.00 H new ATOM 0 HE1 TYR B 93 35.150 -14.581 9.052 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.216 -17.663 8.799 1.00 0.00 H new ATOM 0 HH TYR B 93 33.338 -17.212 10.648 1.00 0.00 H new