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 64:sc= -1.03! USER MOD Single : A 92 SER OG : rot -29:sc= 0.48 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 68:sc= -0.139 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 9.452 -5.045 -4.265 1.00 0.00 N ATOM 79 CA LEU A 75 10.699 -4.380 -4.627 1.00 0.00 C ATOM 80 C LEU A 75 11.881 -5.003 -3.892 1.00 0.00 C ATOM 81 O LEU A 75 12.977 -5.117 -4.443 1.00 0.00 O ATOM 82 CB LEU A 75 10.614 -2.887 -4.307 1.00 0.00 C ATOM 83 CG LEU A 75 9.458 -2.126 -4.958 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.122 -0.879 -4.155 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.802 -1.761 -6.395 1.00 0.00 C ATOM 0 HA LEU A 75 10.853 -4.508 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.536 -2.771 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.549 -2.417 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 75 8.581 -2.774 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.297 -0.350 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.833 -1.165 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.995 -0.228 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.968 -1.220 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.692 -1.131 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.993 -2.670 -6.966 1.00 0.00 H new ATOM 97 N ILE A 76 11.652 -5.406 -2.647 1.00 0.00 N ATOM 98 CA ILE A 76 12.697 -6.021 -1.838 1.00 0.00 C ATOM 99 C ILE A 76 13.113 -7.372 -2.411 1.00 0.00 C ATOM 100 O ILE A 76 14.299 -7.699 -2.457 1.00 0.00 O ATOM 101 CB ILE A 76 12.241 -6.213 -0.380 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.831 -4.871 0.230 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.349 -6.857 0.441 1.00 0.00 C ATOM 104 CD1 ILE A 76 10.909 -5.005 1.422 1.00 0.00 C ATOM 0 H ILE A 76 10.751 -5.318 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 76 13.550 -5.343 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 76 11.375 -6.875 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.727 -4.330 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.339 -4.269 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.012 -6.986 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.599 -7.829 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.231 -6.217 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.660 -4.014 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.996 -5.518 1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.406 -5.580 2.204 1.00 0.00 H new ATOM 116 N ILE A 77 12.129 -8.151 -2.848 1.00 0.00 N ATOM 117 CA ILE A 77 12.393 -9.465 -3.421 1.00 0.00 C ATOM 118 C ILE A 77 13.159 -9.348 -4.734 1.00 0.00 C ATOM 119 O ILE A 77 14.251 -9.898 -4.880 1.00 0.00 O ATOM 120 CB ILE A 77 11.088 -10.244 -3.668 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.463 -10.669 -2.338 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.353 -11.456 -4.547 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.280 -11.697 -1.588 1.00 0.00 C ATOM 0 H ILE A 77 11.142 -7.895 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 77 12.999 -10.009 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 77 10.385 -9.592 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.335 -9.789 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.469 -11.074 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.421 -11.996 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.758 -11.129 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.070 -12.113 -4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.777 -11.951 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.387 -12.593 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.266 -11.288 -1.368 1.00 0.00 H new ATOM 135 N PHE A 78 12.580 -8.626 -5.688 1.00 0.00 N ATOM 136 CA PHE A 78 13.208 -8.436 -6.990 1.00 0.00 C ATOM 137 C PHE A 78 14.562 -7.747 -6.846 1.00 0.00 C ATOM 138 O PHE A 78 15.477 -7.979 -7.635 1.00 0.00 O ATOM 139 CB PHE A 78 12.298 -7.611 -7.903 1.00 0.00 C ATOM 140 CG PHE A 78 12.954 -7.201 -9.191 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.678 -6.023 -9.271 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.847 -7.995 -10.321 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.281 -5.643 -10.455 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.448 -7.622 -11.508 1.00 0.00 C ATOM 145 CZ PHE A 78 14.167 -6.444 -11.575 1.00 0.00 C ATOM 0 H PHE A 78 11.677 -8.163 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 78 13.366 -9.418 -7.436 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.402 -8.190 -8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.974 -6.718 -7.369 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.772 -5.394 -8.398 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.287 -8.917 -10.274 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.841 -4.721 -10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.356 -8.250 -12.382 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.639 -6.150 -12.501 1.00 0.00 H new ATOM 155 N GLY A 79 14.681 -6.896 -5.830 1.00 0.00 N ATOM 156 CA GLY A 79 15.925 -6.186 -5.600 1.00 0.00 C ATOM 157 C GLY A 79 17.043 -7.104 -5.147 1.00 0.00 C ATOM 158 O GLY A 79 18.041 -7.272 -5.848 1.00 0.00 O ATOM 0 H GLY A 79 13.938 -6.686 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.225 -5.679 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.765 -5.414 -4.847 1.00 0.00 H new ATOM 162 N VAL A 80 16.877 -7.700 -3.971 1.00 0.00 N ATOM 163 CA VAL A 80 17.879 -8.607 -3.425 1.00 0.00 C ATOM 164 C VAL A 80 18.171 -9.750 -4.390 1.00 0.00 C ATOM 165 O VAL A 80 19.306 -10.214 -4.494 1.00 0.00 O ATOM 166 CB VAL A 80 17.430 -9.192 -2.073 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.485 -10.140 -1.524 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.136 -8.077 -1.081 1.00 0.00 C ATOM 0 H VAL A 80 16.057 -7.571 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 80 18.786 -8.022 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 80 16.512 -9.759 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.150 -10.543 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.641 -10.957 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.421 -9.600 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.820 -8.509 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.035 -7.480 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.342 -7.442 -1.473 1.00 0.00 H new ATOM 178 N MET A 81 17.137 -10.200 -5.095 1.00 0.00 N ATOM 179 CA MET A 81 17.283 -11.289 -6.054 1.00 0.00 C ATOM 180 C MET A 81 18.181 -10.874 -7.215 1.00 0.00 C ATOM 181 O MET A 81 19.087 -11.610 -7.605 1.00 0.00 O ATOM 182 CB MET A 81 15.913 -11.719 -6.581 1.00 0.00 C ATOM 183 CG MET A 81 15.151 -12.624 -5.627 1.00 0.00 C ATOM 184 SD MET A 81 15.574 -14.365 -5.835 1.00 0.00 S ATOM 185 CE MET A 81 14.212 -14.925 -6.855 1.00 0.00 C ATOM 0 H MET A 81 16.190 -9.828 -5.020 1.00 0.00 H new ATOM 0 HA MET A 81 17.748 -12.132 -5.542 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.315 -10.830 -6.781 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.044 -12.236 -7.532 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.361 -12.323 -4.601 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.080 -12.493 -5.785 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.331 -15.987 -7.070 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.272 -14.765 -6.327 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.203 -14.364 -7.790 1.00 0.00 H new ATOM 195 N ALA A 82 17.922 -9.692 -7.764 1.00 0.00 N ATOM 196 CA ALA A 82 18.708 -9.179 -8.879 1.00 0.00 C ATOM 197 C ALA A 82 20.164 -8.969 -8.475 1.00 0.00 C ATOM 198 O ALA A 82 21.079 -9.232 -9.254 1.00 0.00 O ATOM 199 CB ALA A 82 18.109 -7.878 -9.394 1.00 0.00 C ATOM 0 H ALA A 82 17.174 -9.072 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 82 18.683 -9.919 -9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.707 -7.507 -10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.088 -8.056 -9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.103 -7.138 -8.593 1.00 0.00 H new ATOM 205 N GLY A 83 20.371 -8.493 -7.251 1.00 0.00 N ATOM 206 CA GLY A 83 21.717 -8.255 -6.765 1.00 0.00 C ATOM 207 C GLY A 83 22.455 -9.541 -6.448 1.00 0.00 C ATOM 208 O GLY A 83 23.534 -9.794 -6.984 1.00 0.00 O ATOM 0 H GLY A 83 19.630 -8.268 -6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.276 -7.694 -7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.672 -7.635 -5.870 1.00 0.00 H new ATOM 212 N VAL A 84 21.872 -10.356 -5.574 1.00 0.00 N ATOM 213 CA VAL A 84 22.481 -11.623 -5.187 1.00 0.00 C ATOM 214 C VAL A 84 22.783 -12.484 -6.408 1.00 0.00 C ATOM 215 O VAL A 84 23.891 -12.999 -6.558 1.00 0.00 O ATOM 216 CB VAL A 84 21.572 -12.413 -4.227 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.187 -13.764 -3.898 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.313 -11.613 -2.959 1.00 0.00 C ATOM 0 H VAL A 84 20.979 -10.161 -5.121 1.00 0.00 H new ATOM 0 HA VAL A 84 23.414 -11.382 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 84 20.616 -12.587 -4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.530 -14.307 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.315 -14.338 -4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.157 -13.616 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.669 -12.186 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.260 -11.406 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.825 -10.673 -3.215 1.00 0.00 H new ATOM 228 N ILE A 85 21.790 -12.636 -7.277 1.00 0.00 N ATOM 229 CA ILE A 85 21.949 -13.434 -8.487 1.00 0.00 C ATOM 230 C ILE A 85 23.011 -12.836 -9.404 1.00 0.00 C ATOM 231 O ILE A 85 23.891 -13.542 -9.895 1.00 0.00 O ATOM 232 CB ILE A 85 20.624 -13.552 -9.263 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.594 -14.330 -8.441 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.855 -14.226 -10.607 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.969 -15.778 -8.217 1.00 0.00 C ATOM 0 H ILE A 85 20.867 -12.217 -7.166 1.00 0.00 H new ATOM 0 HA ILE A 85 22.264 -14.428 -8.170 1.00 0.00 H new ATOM 0 HB ILE A 85 20.235 -12.550 -9.443 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.469 -13.842 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.630 -14.287 -8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.909 -14.302 -11.143 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.559 -13.636 -11.194 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.263 -15.224 -10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.194 -16.268 -7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.066 -16.282 -9.179 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.918 -15.830 -7.683 1.00 0.00 H new ATOM 247 N GLY A 86 22.923 -11.529 -9.628 1.00 0.00 N ATOM 248 CA GLY A 86 23.883 -10.857 -10.484 1.00 0.00 C ATOM 249 C GLY A 86 25.301 -10.962 -9.959 1.00 0.00 C ATOM 250 O GLY A 86 26.246 -11.137 -10.730 1.00 0.00 O ATOM 0 H GLY A 86 22.204 -10.923 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.837 -11.287 -11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.610 -9.806 -10.576 1.00 0.00 H new ATOM 254 N THR A 87 25.453 -10.853 -8.643 1.00 0.00 N ATOM 255 CA THR A 87 26.766 -10.934 -8.016 1.00 0.00 C ATOM 256 C THR A 87 27.367 -12.325 -8.177 1.00 0.00 C ATOM 257 O THR A 87 28.460 -12.480 -8.723 1.00 0.00 O ATOM 258 CB THR A 87 26.694 -10.588 -6.516 1.00 0.00 C ATOM 259 OG1 THR A 87 26.097 -9.299 -6.338 1.00 0.00 O ATOM 260 CG2 THR A 87 28.081 -10.601 -5.891 1.00 0.00 C ATOM 0 H THR A 87 24.682 -10.708 -7.991 1.00 0.00 H new ATOM 0 HA THR A 87 27.402 -10.206 -8.519 1.00 0.00 H new ATOM 0 HB THR A 87 26.082 -11.342 -6.021 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.170 -9.321 -6.655 1.00 0.00 H new ATOM 0 HG21 THR A 87 28.005 -10.354 -4.832 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.521 -11.592 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.712 -9.866 -6.391 1.00 0.00 H new ATOM 268 N ILE A 88 26.648 -13.335 -7.699 1.00 0.00 N ATOM 269 CA ILE A 88 27.111 -14.714 -7.792 1.00 0.00 C ATOM 270 C ILE A 88 27.381 -15.106 -9.241 1.00 0.00 C ATOM 271 O ILE A 88 28.410 -15.709 -9.551 1.00 0.00 O ATOM 272 CB ILE A 88 26.086 -15.694 -7.190 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.813 -15.343 -5.726 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.587 -17.125 -7.313 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.672 -16.130 -5.119 1.00 0.00 C ATOM 0 H ILE A 88 25.742 -13.224 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 88 28.038 -14.775 -7.222 1.00 0.00 H new ATOM 0 HB ILE A 88 25.152 -15.608 -7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.717 -15.521 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.590 -14.279 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.852 -17.806 -6.883 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.736 -17.369 -8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.532 -17.227 -6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.535 -15.830 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.757 -15.933 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.901 -17.195 -5.162 1.00 0.00 H new ATOM 287 N LEU A 89 26.453 -14.758 -10.125 1.00 0.00 N ATOM 288 CA LEU A 89 26.592 -15.072 -11.543 1.00 0.00 C ATOM 289 C LEU A 89 27.879 -14.479 -12.109 1.00 0.00 C ATOM 290 O LEU A 89 28.685 -15.185 -12.716 1.00 0.00 O ATOM 291 CB LEU A 89 25.387 -14.542 -12.323 1.00 0.00 C ATOM 292 CG LEU A 89 24.159 -15.452 -12.361 1.00 0.00 C ATOM 293 CD1 LEU A 89 24.135 -16.262 -13.648 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.139 -16.371 -11.149 1.00 0.00 C ATOM 0 H LEU A 89 25.597 -14.259 -9.885 1.00 0.00 H new ATOM 0 HA LEU A 89 26.637 -16.156 -11.647 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.092 -13.585 -11.891 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.701 -14.346 -13.348 1.00 0.00 H new ATOM 0 HG LEU A 89 23.266 -14.827 -12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 89 23.254 -16.904 -13.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 24.101 -15.586 -14.503 1.00 0.00 H new ATOM 0 HD13 LEU A 89 25.033 -16.877 -13.708 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.258 -17.012 -11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 89 25.037 -16.989 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 89 24.107 -15.772 -10.239 1.00 0.00 H new ATOM 306 N LEU A 90 28.066 -13.180 -11.904 1.00 0.00 N ATOM 307 CA LEU A 90 29.256 -12.492 -12.391 1.00 0.00 C ATOM 308 C LEU A 90 30.524 -13.178 -11.892 1.00 0.00 C ATOM 309 O LEU A 90 31.382 -13.570 -12.683 1.00 0.00 O ATOM 310 CB LEU A 90 29.243 -11.030 -11.943 1.00 0.00 C ATOM 311 CG LEU A 90 29.935 -10.036 -12.877 1.00 0.00 C ATOM 312 CD1 LEU A 90 31.425 -10.330 -12.960 1.00 0.00 C ATOM 313 CD2 LEU A 90 29.304 -10.076 -14.261 1.00 0.00 C ATOM 0 H LEU A 90 27.408 -12.582 -11.404 1.00 0.00 H new ATOM 0 HA LEU A 90 29.248 -12.532 -13.480 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.206 -10.718 -11.817 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.716 -10.967 -10.963 1.00 0.00 H new ATOM 0 HG LEU A 90 29.805 -9.033 -12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 90 31.901 -9.613 -13.629 1.00 0.00 H new ATOM 0 HD12 LEU A 90 31.868 -10.249 -11.967 1.00 0.00 H new ATOM 0 HD13 LEU A 90 31.576 -11.339 -13.343 1.00 0.00 H new ATOM 0 HD21 LEU A 90 29.809 -9.362 -14.912 1.00 0.00 H new ATOM 0 HD22 LEU A 90 29.402 -11.079 -14.677 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.248 -9.815 -14.187 1.00 0.00 H new ATOM 325 N ILE A 91 30.634 -13.320 -10.575 1.00 0.00 N ATOM 326 CA ILE A 91 31.795 -13.962 -9.971 1.00 0.00 C ATOM 327 C ILE A 91 31.984 -15.376 -10.509 1.00 0.00 C ATOM 328 O ILE A 91 33.022 -15.698 -11.087 1.00 0.00 O ATOM 329 CB ILE A 91 31.671 -14.020 -8.437 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.532 -12.610 -7.861 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.876 -14.727 -7.835 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.303 -12.588 -6.365 1.00 0.00 C ATOM 0 H ILE A 91 29.934 -12.999 -9.906 1.00 0.00 H new ATOM 0 HA ILE A 91 32.663 -13.357 -10.235 1.00 0.00 H new ATOM 0 HB ILE A 91 30.776 -14.587 -8.181 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.433 -12.042 -8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.702 -12.105 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.774 -14.760 -6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.934 -15.743 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.785 -14.185 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.214 -11.556 -6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.386 -13.128 -6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.144 -13.064 -5.861 1.00 0.00 H new ATOM 344 N SER A 92 30.973 -16.217 -10.315 1.00 0.00 N ATOM 345 CA SER A 92 31.028 -17.598 -10.779 1.00 0.00 C ATOM 346 C SER A 92 31.379 -17.659 -12.263 1.00 0.00 C ATOM 347 O SER A 92 31.955 -18.639 -12.736 1.00 0.00 O ATOM 348 CB SER A 92 29.689 -18.295 -10.531 1.00 0.00 C ATOM 349 OG SER A 92 28.692 -17.814 -11.415 1.00 0.00 O ATOM 0 H SER A 92 30.106 -15.966 -9.840 1.00 0.00 H new ATOM 0 HA SER A 92 31.807 -18.113 -10.218 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.806 -19.371 -10.661 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.375 -18.131 -9.500 1.00 0.00 H new ATOM 0 HG SER A 92 28.891 -16.886 -11.659 1.00 0.00 H new ATOM 355 N TYR A 93 31.028 -16.605 -12.991 1.00 0.00 N ATOM 356 CA TYR A 93 31.303 -16.539 -14.421 1.00 0.00 C ATOM 357 C TYR A 93 32.780 -16.260 -14.680 1.00 0.00 C ATOM 358 O TYR A 93 33.434 -16.970 -15.442 1.00 0.00 O ATOM 359 CB TYR A 93 30.445 -15.455 -15.077 1.00 0.00 C ATOM 360 CG TYR A 93 30.584 -15.401 -16.582 1.00 0.00 C ATOM 361 CD1 TYR A 93 30.043 -16.398 -17.385 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.256 -14.354 -17.200 1.00 0.00 C ATOM 363 CE1 TYR A 93 30.168 -16.353 -18.760 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.384 -14.301 -18.575 1.00 0.00 C ATOM 365 CZ TYR A 93 30.839 -15.303 -19.350 1.00 0.00 C ATOM 366 OH TYR A 93 30.966 -15.253 -20.720 1.00 0.00 O ATOM 0 H TYR A 93 30.553 -15.785 -12.614 1.00 0.00 H new ATOM 0 HA TYR A 93 31.053 -17.506 -14.858 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.399 -15.628 -14.823 1.00 0.00 H new ATOM 0 HB3 TYR A 93 30.718 -14.486 -14.660 1.00 0.00 H new ATOM 0 HD1 TYR A 93 29.516 -17.222 -16.926 1.00 0.00 H new ATOM 0 HD2 TYR A 93 31.686 -13.568 -16.596 1.00 0.00 H new ATOM 0 HE1 TYR A 93 29.742 -17.136 -19.370 1.00 0.00 H new ATOM 0 HE2 TYR A 93 31.908 -13.479 -19.040 1.00 0.00 H new ATOM 0 HH TYR A 93 31.465 -14.448 -20.973 1.00 0.00 H new ATOM 547 N LEU B 75 13.712 0.712 -1.278 1.00 0.00 N ATOM 548 CA LEU B 75 13.671 -0.740 -1.141 1.00 0.00 C ATOM 549 C LEU B 75 14.621 -1.408 -2.130 1.00 0.00 C ATOM 550 O LEU B 75 15.261 -2.410 -1.811 1.00 0.00 O ATOM 551 CB LEU B 75 12.246 -1.252 -1.359 1.00 0.00 C ATOM 552 CG LEU B 75 11.191 -0.738 -0.380 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.818 -0.720 -1.035 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.171 -1.591 0.880 1.00 0.00 C ATOM 0 HA LEU B 75 13.991 -0.994 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.936 -0.985 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.261 -2.341 -1.308 1.00 0.00 H new ATOM 0 HG LEU B 75 11.451 0.283 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.080 -0.351 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.839 -0.066 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.550 -1.730 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.414 -1.210 1.565 1.00 0.00 H new ATOM 0 HD22 LEU B 75 10.937 -2.623 0.617 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.148 -1.552 1.361 1.00 0.00 H new ATOM 566 N ILE B 76 14.709 -0.844 -3.330 1.00 0.00 N ATOM 567 CA ILE B 76 15.583 -1.383 -4.365 1.00 0.00 C ATOM 568 C ILE B 76 17.050 -1.225 -3.981 1.00 0.00 C ATOM 569 O ILE B 76 17.846 -2.152 -4.138 1.00 0.00 O ATOM 570 CB ILE B 76 15.342 -0.694 -5.721 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.871 -0.817 -6.125 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.242 -1.297 -6.789 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.439 -2.238 -6.411 1.00 0.00 C ATOM 0 H ILE B 76 14.186 -0.014 -3.610 1.00 0.00 H new ATOM 0 HA ILE B 76 15.346 -2.443 -4.458 1.00 0.00 H new ATOM 0 HB ILE B 76 15.586 0.364 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.249 -0.410 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.694 -0.207 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.060 -0.800 -7.742 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.285 -1.163 -6.503 1.00 0.00 H new ATOM 0 HG23 ILE B 76 16.026 -2.361 -6.888 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.386 -2.249 -6.691 1.00 0.00 H new ATOM 0 HD12 ILE B 76 14.036 -2.642 -7.229 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.584 -2.849 -5.520 1.00 0.00 H new ATOM 585 N ILE B 77 17.401 -0.047 -3.476 1.00 0.00 N ATOM 586 CA ILE B 77 18.772 0.230 -3.067 1.00 0.00 C ATOM 587 C ILE B 77 19.175 -0.631 -1.875 1.00 0.00 C ATOM 588 O ILE B 77 20.148 -1.383 -1.939 1.00 0.00 O ATOM 589 CB ILE B 77 18.961 1.714 -2.702 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.924 2.581 -3.962 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.271 1.913 -1.953 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.108 2.365 -4.878 1.00 0.00 C ATOM 0 H ILE B 77 16.755 0.731 -3.340 1.00 0.00 H new ATOM 0 HA ILE B 77 19.410 -0.011 -3.917 1.00 0.00 H new ATOM 0 HB ILE B 77 18.143 2.019 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.006 2.370 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.887 3.631 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.390 2.967 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.260 1.321 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.102 1.594 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE B 77 20.016 3.012 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.029 2.603 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.134 1.324 -5.199 1.00 0.00 H new ATOM 604 N PHE B 78 18.420 -0.516 -0.787 1.00 0.00 N ATOM 605 CA PHE B 78 18.698 -1.285 0.420 1.00 0.00 C ATOM 606 C PHE B 78 18.596 -2.783 0.147 1.00 0.00 C ATOM 607 O PHE B 78 19.287 -3.587 0.771 1.00 0.00 O ATOM 608 CB PHE B 78 17.727 -0.892 1.535 1.00 0.00 C ATOM 609 CG PHE B 78 17.815 -1.775 2.747 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.059 -2.933 2.832 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.655 -1.448 3.799 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.138 -3.747 3.946 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.738 -2.259 4.916 1.00 0.00 C ATOM 614 CZ PHE B 78 17.980 -3.411 4.989 1.00 0.00 C ATOM 0 H PHE B 78 17.612 0.102 -0.717 1.00 0.00 H new ATOM 0 HA PHE B 78 19.716 -1.060 0.737 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.924 0.138 1.831 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.709 -0.922 1.147 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.401 -3.202 2.019 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.252 -0.549 3.746 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.542 -4.646 4.001 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.395 -1.992 5.730 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.045 -4.048 5.859 1.00 0.00 H new ATOM 624 N GLY B 79 17.728 -3.150 -0.791 1.00 0.00 N ATOM 625 CA GLY B 79 17.551 -4.550 -1.130 1.00 0.00 C ATOM 626 C GLY B 79 18.760 -5.134 -1.833 1.00 0.00 C ATOM 627 O GLY B 79 19.419 -6.031 -1.308 1.00 0.00 O ATOM 0 H GLY B 79 17.145 -2.503 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.353 -5.118 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.675 -4.658 -1.770 1.00 0.00 H new ATOM 631 N VAL B 80 19.052 -4.625 -3.026 1.00 0.00 N ATOM 632 CA VAL B 80 20.190 -5.102 -3.803 1.00 0.00 C ATOM 633 C VAL B 80 21.488 -4.970 -3.014 1.00 0.00 C ATOM 634 O VAL B 80 22.378 -5.813 -3.120 1.00 0.00 O ATOM 635 CB VAL B 80 20.327 -4.331 -5.129 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.530 -4.830 -5.915 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.054 -4.456 -5.952 1.00 0.00 C ATOM 0 H VAL B 80 18.516 -3.882 -3.475 1.00 0.00 H new ATOM 0 HA VAL B 80 20.006 -6.154 -4.021 1.00 0.00 H new ATOM 0 HB VAL B 80 20.483 -3.277 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.611 -4.274 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.435 -4.684 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.407 -5.891 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.169 -3.905 -6.886 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.864 -5.507 -6.172 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.215 -4.046 -5.389 1.00 0.00 H new ATOM 647 N MET B 81 21.588 -3.906 -2.224 1.00 0.00 N ATOM 648 CA MET B 81 22.777 -3.665 -1.415 1.00 0.00 C ATOM 649 C MET B 81 22.941 -4.747 -0.352 1.00 0.00 C ATOM 650 O MET B 81 24.028 -5.294 -0.172 1.00 0.00 O ATOM 651 CB MET B 81 22.697 -2.289 -0.751 1.00 0.00 C ATOM 652 CG MET B 81 23.067 -1.144 -1.679 1.00 0.00 C ATOM 653 SD MET B 81 24.694 -0.455 -1.319 1.00 0.00 S ATOM 654 CE MET B 81 25.669 -1.183 -2.633 1.00 0.00 C ATOM 0 H MET B 81 20.861 -3.198 -2.127 1.00 0.00 H new ATOM 0 HA MET B 81 23.646 -3.693 -2.073 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.684 -2.132 -0.380 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.360 -2.273 0.114 1.00 0.00 H new ATOM 0 HG2 MET B 81 23.046 -1.496 -2.710 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.317 -0.357 -1.596 1.00 0.00 H new ATOM 0 HE1 MET B 81 26.703 -0.850 -2.546 1.00 0.00 H new ATOM 0 HE2 MET B 81 25.629 -2.270 -2.556 1.00 0.00 H new ATOM 0 HE3 MET B 81 25.268 -0.873 -3.598 1.00 0.00 H new ATOM 664 N ALA B 82 21.854 -5.050 0.350 1.00 0.00 N ATOM 665 CA ALA B 82 21.877 -6.068 1.393 1.00 0.00 C ATOM 666 C ALA B 82 22.204 -7.440 0.814 1.00 0.00 C ATOM 667 O ALA B 82 22.926 -8.226 1.426 1.00 0.00 O ATOM 668 CB ALA B 82 20.543 -6.105 2.123 1.00 0.00 C ATOM 0 H ALA B 82 20.946 -4.605 0.215 1.00 0.00 H new ATOM 0 HA ALA B 82 22.661 -5.807 2.104 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.574 -6.870 2.899 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.350 -5.134 2.578 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.747 -6.338 1.415 1.00 0.00 H new ATOM 674 N GLY B 83 21.668 -7.721 -0.370 1.00 0.00 N ATOM 675 CA GLY B 83 21.915 -9.000 -1.011 1.00 0.00 C ATOM 676 C GLY B 83 23.321 -9.108 -1.566 1.00 0.00 C ATOM 677 O GLY B 83 24.063 -10.028 -1.221 1.00 0.00 O ATOM 0 H GLY B 83 21.068 -7.086 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.749 -9.802 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.197 -9.143 -1.818 1.00 0.00 H new ATOM 681 N VAL B 84 23.689 -8.167 -2.429 1.00 0.00 N ATOM 682 CA VAL B 84 25.016 -8.161 -3.034 1.00 0.00 C ATOM 683 C VAL B 84 26.106 -8.186 -1.968 1.00 0.00 C ATOM 684 O VAL B 84 27.040 -8.985 -2.040 1.00 0.00 O ATOM 685 CB VAL B 84 25.218 -6.925 -3.931 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.639 -6.886 -4.474 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.205 -6.919 -5.065 1.00 0.00 C ATOM 0 H VAL B 84 23.087 -7.399 -2.725 1.00 0.00 H new ATOM 0 HA VAL B 84 25.090 -9.060 -3.646 1.00 0.00 H new ATOM 0 HB VAL B 84 25.060 -6.030 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.763 -6.006 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.344 -6.840 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.829 -7.784 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.362 -6.039 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.329 -7.818 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.197 -6.895 -4.652 1.00 0.00 H new ATOM 697 N ILE B 85 25.980 -7.306 -0.980 1.00 0.00 N ATOM 698 CA ILE B 85 26.954 -7.229 0.102 1.00 0.00 C ATOM 699 C ILE B 85 26.977 -8.519 0.914 1.00 0.00 C ATOM 700 O ILE B 85 28.040 -9.078 1.180 1.00 0.00 O ATOM 701 CB ILE B 85 26.656 -6.047 1.043 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.822 -4.720 0.301 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.567 -6.097 2.261 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.247 -4.441 -0.125 1.00 0.00 C ATOM 0 H ILE B 85 25.214 -6.637 -0.907 1.00 0.00 H new ATOM 0 HA ILE B 85 27.929 -7.078 -0.361 1.00 0.00 H new ATOM 0 HB ILE B 85 25.623 -6.124 1.382 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.182 -4.723 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.477 -3.909 0.942 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.344 -5.255 2.917 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.403 -7.030 2.800 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.607 -6.042 1.940 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.291 -3.484 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.889 -4.405 0.755 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.589 -5.232 -0.792 1.00 0.00 H new ATOM 716 N GLY B 86 25.795 -8.987 1.304 1.00 0.00 N ATOM 717 CA GLY B 86 25.702 -10.210 2.081 1.00 0.00 C ATOM 718 C GLY B 86 26.266 -11.409 1.346 1.00 0.00 C ATOM 719 O GLY B 86 26.880 -12.287 1.953 1.00 0.00 O ATOM 0 H GLY B 86 24.901 -8.542 1.096 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.237 -10.080 3.022 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.658 -10.399 2.331 1.00 0.00 H new ATOM 723 N THR B 87 26.058 -11.448 0.033 1.00 0.00 N ATOM 724 CA THR B 87 26.549 -12.549 -0.786 1.00 0.00 C ATOM 725 C THR B 87 28.071 -12.542 -0.863 1.00 0.00 C ATOM 726 O THR B 87 28.725 -13.515 -0.485 1.00 0.00 O ATOM 727 CB THR B 87 25.974 -12.487 -2.213 1.00 0.00 C ATOM 728 OG1 THR B 87 24.542 -12.504 -2.166 1.00 0.00 O ATOM 729 CG2 THR B 87 26.472 -13.657 -3.049 1.00 0.00 C ATOM 0 H THR B 87 25.553 -10.729 -0.485 1.00 0.00 H new ATOM 0 HA THR B 87 26.217 -13.470 -0.308 1.00 0.00 H new ATOM 0 HB THR B 87 26.311 -11.560 -2.676 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.218 -11.668 -1.770 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.052 -13.592 -4.053 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.560 -13.625 -3.108 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.161 -14.593 -2.586 1.00 0.00 H new ATOM 737 N ILE B 88 28.629 -11.440 -1.353 1.00 0.00 N ATOM 738 CA ILE B 88 30.075 -11.307 -1.477 1.00 0.00 C ATOM 739 C ILE B 88 30.766 -11.545 -0.138 1.00 0.00 C ATOM 740 O ILE B 88 31.840 -12.145 -0.079 1.00 0.00 O ATOM 741 CB ILE B 88 30.469 -9.915 -2.005 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.809 -9.654 -3.360 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.982 -9.799 -2.115 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.948 -8.225 -3.835 1.00 0.00 C ATOM 0 H ILE B 88 28.102 -10.627 -1.670 1.00 0.00 H new ATOM 0 HA ILE B 88 30.401 -12.063 -2.191 1.00 0.00 H new ATOM 0 HB ILE B 88 30.117 -9.162 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.248 -10.320 -4.103 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.750 -9.905 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.245 -8.810 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.431 -9.946 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.356 -10.558 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.457 -8.113 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.483 -7.554 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.004 -7.976 -3.934 1.00 0.00 H new ATOM 756 N LEU B 89 30.142 -11.071 0.935 1.00 0.00 N ATOM 757 CA LEU B 89 30.696 -11.234 2.275 1.00 0.00 C ATOM 758 C LEU B 89 30.738 -12.706 2.672 1.00 0.00 C ATOM 759 O LEU B 89 31.792 -13.233 3.032 1.00 0.00 O ATOM 760 CB LEU B 89 29.867 -10.444 3.290 1.00 0.00 C ATOM 761 CG LEU B 89 30.153 -8.944 3.369 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.175 -8.263 4.313 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.587 -8.698 3.815 1.00 0.00 C ATOM 0 H LEU B 89 29.253 -10.571 0.904 1.00 0.00 H new ATOM 0 HA LEU B 89 31.716 -10.849 2.269 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.812 -10.580 3.052 1.00 0.00 H new ATOM 0 HB3 LEU B 89 30.029 -10.877 4.277 1.00 0.00 H new ATOM 0 HG LEU B 89 30.024 -8.516 2.375 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.394 -7.196 4.356 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.157 -8.410 3.951 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.271 -8.694 5.310 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.773 -7.625 3.866 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.743 -9.140 4.799 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.273 -9.152 3.100 1.00 0.00 H new ATOM 775 N LEU B 90 29.588 -13.366 2.602 1.00 0.00 N ATOM 776 CA LEU B 90 29.493 -14.779 2.952 1.00 0.00 C ATOM 777 C LEU B 90 30.508 -15.603 2.166 1.00 0.00 C ATOM 778 O LEU B 90 31.241 -16.412 2.737 1.00 0.00 O ATOM 779 CB LEU B 90 28.080 -15.298 2.683 1.00 0.00 C ATOM 780 CG LEU B 90 27.596 -16.429 3.592 1.00 0.00 C ATOM 781 CD1 LEU B 90 28.438 -17.678 3.383 1.00 0.00 C ATOM 782 CD2 LEU B 90 27.634 -15.996 5.050 1.00 0.00 C ATOM 0 H LEU B 90 28.707 -12.945 2.306 1.00 0.00 H new ATOM 0 HA LEU B 90 29.714 -14.881 4.015 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.385 -14.463 2.773 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.032 -15.643 1.650 1.00 0.00 H new ATOM 0 HG LEU B 90 26.564 -16.663 3.331 1.00 0.00 H new ATOM 0 HD11 LEU B 90 28.079 -18.472 4.038 1.00 0.00 H new ATOM 0 HD12 LEU B 90 28.359 -18.000 2.345 1.00 0.00 H new ATOM 0 HD13 LEU B 90 29.480 -17.458 3.616 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.286 -16.814 5.682 1.00 0.00 H new ATOM 0 HD22 LEU B 90 28.656 -15.734 5.325 1.00 0.00 H new ATOM 0 HD23 LEU B 90 26.987 -15.130 5.189 1.00 0.00 H new ATOM 794 N ILE B 91 30.546 -15.391 0.855 1.00 0.00 N ATOM 795 CA ILE B 91 31.474 -16.112 -0.008 1.00 0.00 C ATOM 796 C ILE B 91 32.920 -15.765 0.328 1.00 0.00 C ATOM 797 O ILE B 91 33.728 -16.646 0.624 1.00 0.00 O ATOM 798 CB ILE B 91 31.215 -15.803 -1.494 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.786 -16.192 -1.878 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.222 -16.534 -2.370 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.449 -15.903 -3.324 1.00 0.00 C ATOM 0 H ILE B 91 29.945 -14.726 0.367 1.00 0.00 H new ATOM 0 HA ILE B 91 31.308 -17.175 0.168 1.00 0.00 H new ATOM 0 HB ILE B 91 31.334 -14.731 -1.653 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.643 -17.255 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.087 -15.656 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.026 -16.306 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.231 -16.212 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.131 -17.608 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.421 -16.204 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.559 -14.836 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.124 -16.461 -3.973 1.00 0.00 H new ATOM 813 N SER B 92 33.240 -14.476 0.282 1.00 0.00 N ATOM 814 CA SER B 92 34.590 -14.012 0.580 1.00 0.00 C ATOM 815 C SER B 92 35.046 -14.510 1.948 1.00 0.00 C ATOM 816 O SER B 92 36.242 -14.647 2.204 1.00 0.00 O ATOM 817 CB SER B 92 34.648 -12.484 0.535 1.00 0.00 C ATOM 818 OG SER B 92 35.856 -12.003 1.098 1.00 0.00 O ATOM 0 H SER B 92 32.583 -13.734 0.041 1.00 0.00 H new ATOM 0 HA SER B 92 35.262 -14.416 -0.177 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.563 -12.144 -0.497 1.00 0.00 H new ATOM 0 HB3 SER B 92 33.799 -12.069 1.078 1.00 0.00 H new ATOM 0 HG SER B 92 35.869 -11.024 1.056 1.00 0.00 H new ATOM 824 N TYR B 93 34.083 -14.778 2.824 1.00 0.00 N ATOM 825 CA TYR B 93 34.384 -15.258 4.167 1.00 0.00 C ATOM 826 C TYR B 93 35.039 -16.636 4.120 1.00 0.00 C ATOM 827 O TYR B 93 36.004 -16.902 4.835 1.00 0.00 O ATOM 828 CB TYR B 93 33.108 -15.317 5.009 1.00 0.00 C ATOM 829 CG TYR B 93 33.367 -15.445 6.493 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.598 -14.322 7.277 1.00 0.00 C ATOM 831 CD2 TYR B 93 33.379 -16.689 7.111 1.00 0.00 C ATOM 832 CE1 TYR B 93 33.835 -14.434 8.633 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.614 -16.811 8.467 1.00 0.00 C ATOM 834 CZ TYR B 93 33.842 -15.681 9.224 1.00 0.00 C ATOM 835 OH TYR B 93 34.077 -15.797 10.574 1.00 0.00 O ATOM 0 H TYR B 93 33.088 -14.671 2.628 1.00 0.00 H new ATOM 0 HA TYR B 93 35.083 -14.559 4.626 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.521 -14.417 4.828 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.504 -16.163 4.680 1.00 0.00 H new ATOM 0 HD1 TYR B 93 33.592 -13.344 6.818 1.00 0.00 H new ATOM 0 HD2 TYR B 93 33.202 -17.576 6.521 1.00 0.00 H new ATOM 0 HE1 TYR B 93 34.014 -13.550 9.228 1.00 0.00 H new ATOM 0 HE2 TYR B 93 33.619 -17.786 8.932 1.00 0.00 H new ATOM 0 HH TYR B 93 34.047 -16.742 10.831 1.00 0.00 H new