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 71:sc= 0.586 USER MOD Single : A 92 SER OG : rot -32:sc= 0.552 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 70:sc= 1.1 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 9.472 -4.992 -4.244 1.00 0.00 N ATOM 79 CA LEU A 75 10.727 -4.318 -4.559 1.00 0.00 C ATOM 80 C LEU A 75 11.902 -5.001 -3.866 1.00 0.00 C ATOM 81 O LEU A 75 12.993 -5.102 -4.427 1.00 0.00 O ATOM 82 CB LEU A 75 10.658 -2.848 -4.142 1.00 0.00 C ATOM 83 CG LEU A 75 9.825 -1.934 -5.041 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.290 -0.750 -4.250 1.00 0.00 C ATOM 85 CD2 LEU A 75 10.650 -1.455 -6.227 1.00 0.00 C ATOM 0 HA LEU A 75 10.881 -4.377 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.254 -2.796 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.674 -2.455 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 75 8.977 -2.505 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.700 -0.111 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.663 -1.111 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.124 -0.179 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.041 -0.806 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.517 -0.902 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.984 -2.314 -6.809 1.00 0.00 H new ATOM 97 N ILE A 76 11.669 -5.469 -2.644 1.00 0.00 N ATOM 98 CA ILE A 76 12.707 -6.145 -1.876 1.00 0.00 C ATOM 99 C ILE A 76 13.084 -7.478 -2.515 1.00 0.00 C ATOM 100 O ILE A 76 14.259 -7.845 -2.561 1.00 0.00 O ATOM 101 CB ILE A 76 12.260 -6.394 -0.423 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.899 -5.071 0.256 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.355 -7.112 0.352 1.00 0.00 C ATOM 104 CD1 ILE A 76 13.081 -4.148 0.448 1.00 0.00 C ATOM 0 H ILE A 76 10.772 -5.392 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 76 13.576 -5.487 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 76 11.374 -7.029 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.143 -4.560 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.451 -5.281 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.024 -7.281 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.569 -8.070 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.257 -6.501 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.751 -3.230 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.829 -4.640 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.516 -3.908 -0.522 1.00 0.00 H new ATOM 116 N ILE A 77 12.081 -8.196 -3.008 1.00 0.00 N ATOM 117 CA ILE A 77 12.309 -9.486 -3.647 1.00 0.00 C ATOM 118 C ILE A 77 13.092 -9.326 -4.946 1.00 0.00 C ATOM 119 O ILE A 77 14.178 -9.885 -5.101 1.00 0.00 O ATOM 120 CB ILE A 77 10.981 -10.207 -3.948 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.293 -10.620 -2.645 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.226 -11.421 -4.832 1.00 0.00 C ATOM 123 CD1 ILE A 77 8.789 -10.729 -2.764 1.00 0.00 C ATOM 0 H ILE A 77 11.103 -7.907 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 77 12.890 -10.086 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 77 10.324 -9.520 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.694 -11.580 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.536 -9.894 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.279 -11.920 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.678 -11.102 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.898 -12.112 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.369 -11.025 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.376 -9.764 -3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.537 -11.476 -3.516 1.00 0.00 H new ATOM 135 N PHE A 78 12.535 -8.557 -5.875 1.00 0.00 N ATOM 136 CA PHE A 78 13.182 -8.321 -7.161 1.00 0.00 C ATOM 137 C PHE A 78 14.537 -7.645 -6.972 1.00 0.00 C ATOM 138 O PHE A 78 15.464 -7.858 -7.754 1.00 0.00 O ATOM 139 CB PHE A 78 12.290 -7.458 -8.055 1.00 0.00 C ATOM 140 CG PHE A 78 12.957 -7.024 -9.329 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.701 -5.857 -9.374 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.839 -7.785 -10.481 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.316 -5.455 -10.545 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.453 -7.389 -11.654 1.00 0.00 C ATOM 145 CZ PHE A 78 14.191 -6.222 -11.687 1.00 0.00 C ATOM 0 H PHE A 78 11.637 -8.086 -5.762 1.00 0.00 H new ATOM 0 HA PHE A 78 13.340 -9.286 -7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.386 -8.016 -8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.978 -6.574 -7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.802 -5.254 -8.484 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.261 -8.697 -10.462 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.893 -4.543 -10.567 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.356 -7.992 -12.545 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.669 -5.910 -12.604 1.00 0.00 H new ATOM 155 N GLY A 79 14.645 -6.829 -5.928 1.00 0.00 N ATOM 156 CA GLY A 79 15.889 -6.134 -5.655 1.00 0.00 C ATOM 157 C GLY A 79 16.993 -7.073 -5.212 1.00 0.00 C ATOM 158 O GLY A 79 17.998 -7.232 -5.904 1.00 0.00 O ATOM 0 H GLY A 79 13.893 -6.637 -5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.208 -5.601 -6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.721 -5.385 -4.881 1.00 0.00 H new ATOM 162 N VAL A 80 16.807 -7.698 -4.053 1.00 0.00 N ATOM 163 CA VAL A 80 17.796 -8.626 -3.518 1.00 0.00 C ATOM 164 C VAL A 80 18.098 -9.741 -4.513 1.00 0.00 C ATOM 165 O VAL A 80 19.231 -10.214 -4.606 1.00 0.00 O ATOM 166 CB VAL A 80 17.320 -9.251 -2.193 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.358 -10.227 -1.660 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.021 -8.166 -1.170 1.00 0.00 C ATOM 0 H VAL A 80 15.981 -7.578 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 80 18.703 -8.051 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 80 16.400 -9.804 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.005 -10.659 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.518 -11.022 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.296 -9.701 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.686 -8.625 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.923 -7.584 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.239 -7.510 -1.553 1.00 0.00 H new ATOM 178 N MET A 81 17.078 -10.156 -5.257 1.00 0.00 N ATOM 179 CA MET A 81 17.235 -11.214 -6.247 1.00 0.00 C ATOM 180 C MET A 81 18.163 -10.771 -7.374 1.00 0.00 C ATOM 181 O MET A 81 19.088 -11.492 -7.748 1.00 0.00 O ATOM 182 CB MET A 81 15.873 -11.613 -6.820 1.00 0.00 C ATOM 183 CG MET A 81 15.086 -12.551 -5.919 1.00 0.00 C ATOM 184 SD MET A 81 15.058 -14.245 -6.535 1.00 0.00 S ATOM 185 CE MET A 81 13.295 -14.561 -6.575 1.00 0.00 C ATOM 0 H MET A 81 16.134 -9.775 -5.193 1.00 0.00 H new ATOM 0 HA MET A 81 17.680 -12.077 -5.752 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.284 -10.713 -6.996 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.021 -12.092 -7.788 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.521 -12.539 -4.920 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.063 -12.186 -5.825 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.115 -15.574 -6.936 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.884 -14.455 -5.571 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.812 -13.847 -7.242 1.00 0.00 H new ATOM 195 N ALA A 82 17.909 -9.582 -7.910 1.00 0.00 N ATOM 196 CA ALA A 82 18.723 -9.043 -8.993 1.00 0.00 C ATOM 197 C ALA A 82 20.168 -8.845 -8.547 1.00 0.00 C ATOM 198 O ALA A 82 21.102 -9.091 -9.309 1.00 0.00 O ATOM 199 CB ALA A 82 18.138 -7.729 -9.490 1.00 0.00 C ATOM 0 H ALA A 82 17.146 -8.974 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 82 18.718 -9.763 -9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.756 -7.338 -10.298 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.125 -7.897 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.113 -7.009 -8.672 1.00 0.00 H new ATOM 205 N GLY A 83 20.344 -8.398 -7.307 1.00 0.00 N ATOM 206 CA GLY A 83 21.679 -8.174 -6.782 1.00 0.00 C ATOM 207 C GLY A 83 22.416 -9.468 -6.500 1.00 0.00 C ATOM 208 O GLY A 83 23.501 -9.702 -7.033 1.00 0.00 O ATOM 0 H GLY A 83 19.587 -8.187 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.252 -7.581 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.612 -7.590 -5.864 1.00 0.00 H new ATOM 212 N VAL A 84 21.827 -10.312 -5.658 1.00 0.00 N ATOM 213 CA VAL A 84 22.434 -11.589 -5.306 1.00 0.00 C ATOM 214 C VAL A 84 22.775 -12.398 -6.552 1.00 0.00 C ATOM 215 O VAL A 84 23.898 -12.881 -6.703 1.00 0.00 O ATOM 216 CB VAL A 84 21.505 -12.423 -4.404 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.116 -13.788 -4.124 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.216 -11.683 -3.107 1.00 0.00 C ATOM 0 H VAL A 84 20.930 -10.133 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 84 23.351 -11.364 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 84 20.561 -12.575 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.445 -14.363 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.266 -14.319 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.075 -13.661 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.558 -12.287 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.151 -11.498 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.732 -10.732 -3.331 1.00 0.00 H new ATOM 228 N ILE A 85 21.800 -12.542 -7.442 1.00 0.00 N ATOM 229 CA ILE A 85 21.997 -13.292 -8.677 1.00 0.00 C ATOM 230 C ILE A 85 23.103 -12.672 -9.525 1.00 0.00 C ATOM 231 O ILE A 85 23.965 -13.375 -10.050 1.00 0.00 O ATOM 232 CB ILE A 85 20.703 -13.357 -9.509 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.624 -14.137 -8.754 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.975 -13.995 -10.863 1.00 0.00 C ATOM 235 CD1 ILE A 85 18.247 -14.010 -9.366 1.00 0.00 C ATOM 0 H ILE A 85 20.865 -12.149 -7.332 1.00 0.00 H new ATOM 0 HA ILE A 85 22.285 -14.303 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 85 20.343 -12.341 -9.673 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.903 -15.190 -8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.588 -13.786 -7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 85 20.051 -14.034 -11.439 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.714 -13.403 -11.402 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.355 -15.006 -10.719 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.533 -14.588 -8.779 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.947 -12.962 -9.372 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.267 -14.388 -10.388 1.00 0.00 H new ATOM 247 N GLY A 86 23.072 -11.349 -9.653 1.00 0.00 N ATOM 248 CA GLY A 86 24.078 -10.656 -10.437 1.00 0.00 C ATOM 249 C GLY A 86 25.482 -10.896 -9.921 1.00 0.00 C ATOM 250 O GLY A 86 26.427 -11.017 -10.701 1.00 0.00 O ATOM 0 H GLY A 86 22.369 -10.745 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 86 24.015 -10.984 -11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.869 -9.586 -10.427 1.00 0.00 H new ATOM 254 N THR A 87 25.623 -10.965 -8.601 1.00 0.00 N ATOM 255 CA THR A 87 26.922 -11.189 -7.981 1.00 0.00 C ATOM 256 C THR A 87 27.419 -12.606 -8.243 1.00 0.00 C ATOM 257 O THR A 87 28.493 -12.802 -8.813 1.00 0.00 O ATOM 258 CB THR A 87 26.868 -10.949 -6.460 1.00 0.00 C ATOM 259 OG1 THR A 87 25.896 -9.943 -6.157 1.00 0.00 O ATOM 260 CG2 THR A 87 28.229 -10.523 -5.931 1.00 0.00 C ATOM 0 H THR A 87 24.852 -10.869 -7.940 1.00 0.00 H new ATOM 0 HA THR A 87 27.613 -10.475 -8.429 1.00 0.00 H new ATOM 0 HB THR A 87 26.585 -11.884 -5.977 1.00 0.00 H new ATOM 0 HG1 THR A 87 24.996 -10.303 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 87 28.166 -10.359 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.960 -11.304 -6.137 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.537 -9.599 -6.421 1.00 0.00 H new ATOM 268 N ILE A 88 26.632 -13.591 -7.824 1.00 0.00 N ATOM 269 CA ILE A 88 26.992 -14.991 -8.015 1.00 0.00 C ATOM 270 C ILE A 88 27.236 -15.298 -9.489 1.00 0.00 C ATOM 271 O ILE A 88 28.136 -16.066 -9.833 1.00 0.00 O ATOM 272 CB ILE A 88 25.898 -15.932 -7.480 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.641 -15.660 -5.997 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.296 -17.385 -7.697 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.464 -16.428 -5.436 1.00 0.00 C ATOM 0 H ILE A 88 25.741 -13.446 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 88 27.911 -15.161 -7.453 1.00 0.00 H new ATOM 0 HB ILE A 88 24.976 -15.742 -8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.535 -15.916 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.468 -14.593 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.512 -18.038 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.433 -17.570 -8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.228 -17.589 -7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.341 -16.186 -4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.559 -16.154 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.643 -17.498 -5.544 1.00 0.00 H new ATOM 287 N LEU A 89 26.431 -14.693 -10.355 1.00 0.00 N ATOM 288 CA LEU A 89 26.561 -14.900 -11.793 1.00 0.00 C ATOM 289 C LEU A 89 27.890 -14.354 -12.305 1.00 0.00 C ATOM 290 O LEU A 89 28.664 -15.070 -12.942 1.00 0.00 O ATOM 291 CB LEU A 89 25.402 -14.228 -12.531 1.00 0.00 C ATOM 292 CG LEU A 89 24.110 -15.040 -12.633 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.024 -14.230 -13.324 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.357 -16.346 -13.373 1.00 0.00 C ATOM 0 H LEU A 89 25.682 -14.055 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 89 26.533 -15.973 -11.985 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.177 -13.286 -12.031 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.734 -13.982 -13.540 1.00 0.00 H new ATOM 0 HG LEU A 89 23.772 -15.277 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.112 -14.824 -13.388 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.827 -13.323 -12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.353 -13.962 -14.328 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.427 -16.910 -13.436 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.720 -16.132 -14.378 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.102 -16.933 -12.836 1.00 0.00 H new ATOM 306 N LEU A 90 28.149 -13.083 -12.021 1.00 0.00 N ATOM 307 CA LEU A 90 29.387 -12.440 -12.450 1.00 0.00 C ATOM 308 C LEU A 90 30.603 -13.239 -11.992 1.00 0.00 C ATOM 309 O LEU A 90 31.503 -13.525 -12.782 1.00 0.00 O ATOM 310 CB LEU A 90 29.462 -11.015 -11.900 1.00 0.00 C ATOM 311 CG LEU A 90 30.234 -10.006 -12.751 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.679 -8.604 -12.552 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.717 -10.048 -12.413 1.00 0.00 C ATOM 0 H LEU A 90 27.519 -12.477 -11.496 1.00 0.00 H new ATOM 0 HA LEU A 90 29.389 -12.403 -13.539 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.446 -10.645 -11.766 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.920 -11.052 -10.912 1.00 0.00 H new ATOM 0 HG LEU A 90 30.113 -10.276 -13.800 1.00 0.00 H new ATOM 0 HD11 LEU A 90 30.241 -7.900 -13.166 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.629 -8.583 -12.845 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.768 -8.323 -11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 90 32.251 -9.324 -13.028 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.857 -9.803 -11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 90 32.107 -11.047 -12.608 1.00 0.00 H new ATOM 325 N ILE A 91 30.621 -13.598 -10.713 1.00 0.00 N ATOM 326 CA ILE A 91 31.724 -14.367 -10.152 1.00 0.00 C ATOM 327 C ILE A 91 31.802 -15.755 -10.778 1.00 0.00 C ATOM 328 O ILE A 91 32.832 -16.143 -11.328 1.00 0.00 O ATOM 329 CB ILE A 91 31.589 -14.512 -8.624 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.556 -13.134 -7.960 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.734 -15.346 -8.068 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.400 -13.191 -6.457 1.00 0.00 C ATOM 0 H ILE A 91 29.884 -13.369 -10.046 1.00 0.00 H new ATOM 0 HA ILE A 91 32.638 -13.818 -10.378 1.00 0.00 H new ATOM 0 HB ILE A 91 30.652 -15.023 -8.404 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.476 -12.601 -8.202 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.733 -12.556 -8.381 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.625 -15.440 -6.988 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.716 -16.337 -8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.682 -14.860 -8.296 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.385 -12.178 -6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.467 -13.695 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.236 -13.741 -6.025 1.00 0.00 H new ATOM 344 N SER A 92 30.703 -16.499 -10.692 1.00 0.00 N ATOM 345 CA SER A 92 30.647 -17.846 -11.249 1.00 0.00 C ATOM 346 C SER A 92 31.043 -17.841 -12.722 1.00 0.00 C ATOM 347 O SER A 92 31.508 -18.850 -13.254 1.00 0.00 O ATOM 348 CB SER A 92 29.242 -18.428 -11.088 1.00 0.00 C ATOM 349 OG SER A 92 28.332 -17.821 -11.989 1.00 0.00 O ATOM 0 H SER A 92 29.840 -16.192 -10.242 1.00 0.00 H new ATOM 0 HA SER A 92 31.355 -18.469 -10.703 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.268 -19.504 -11.262 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.899 -18.279 -10.064 1.00 0.00 H new ATOM 0 HG SER A 92 28.595 -16.889 -12.142 1.00 0.00 H new ATOM 355 N TYR A 93 30.855 -16.700 -13.375 1.00 0.00 N ATOM 356 CA TYR A 93 31.189 -16.564 -14.788 1.00 0.00 C ATOM 357 C TYR A 93 32.692 -16.709 -15.008 1.00 0.00 C ATOM 358 O TYR A 93 33.132 -17.385 -15.937 1.00 0.00 O ATOM 359 CB TYR A 93 30.714 -15.210 -15.318 1.00 0.00 C ATOM 360 CG TYR A 93 30.727 -15.112 -16.827 1.00 0.00 C ATOM 361 CD1 TYR A 93 29.633 -15.520 -17.579 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.835 -14.610 -17.500 1.00 0.00 C ATOM 363 CE1 TYR A 93 29.642 -15.433 -18.958 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.852 -14.518 -18.878 1.00 0.00 C ATOM 365 CZ TYR A 93 30.753 -14.931 -19.603 1.00 0.00 C ATOM 366 OH TYR A 93 30.765 -14.841 -20.976 1.00 0.00 O ATOM 0 H TYR A 93 30.473 -15.856 -12.949 1.00 0.00 H new ATOM 0 HA TYR A 93 30.681 -17.359 -15.334 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.702 -15.023 -14.959 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.348 -14.425 -14.906 1.00 0.00 H new ATOM 0 HD1 TYR A 93 28.760 -15.912 -17.077 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.697 -14.286 -16.936 1.00 0.00 H new ATOM 0 HE1 TYR A 93 28.783 -15.756 -19.528 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.721 -14.125 -19.385 1.00 0.00 H new ATOM 0 HH TYR A 93 31.621 -14.466 -21.272 1.00 0.00 H new ATOM 547 N LEU B 75 13.711 0.812 -1.192 1.00 0.00 N ATOM 548 CA LEU B 75 13.645 -0.638 -1.041 1.00 0.00 C ATOM 549 C LEU B 75 14.566 -1.332 -2.040 1.00 0.00 C ATOM 550 O LEU B 75 15.195 -2.341 -1.721 1.00 0.00 O ATOM 551 CB LEU B 75 12.208 -1.126 -1.231 1.00 0.00 C ATOM 552 CG LEU B 75 11.145 -0.430 -0.380 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.763 -0.636 -0.980 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.189 -0.942 1.052 1.00 0.00 C ATOM 0 HA LEU B 75 13.977 -0.889 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.940 -1.006 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.176 -2.194 -1.014 1.00 0.00 H new ATOM 0 HG LEU B 75 11.358 0.639 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.019 -0.134 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.738 -0.220 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.540 -1.702 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.426 -0.436 1.643 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.001 -2.016 1.060 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.171 -0.742 1.480 1.00 0.00 H new ATOM 566 N ILE B 76 14.642 -0.783 -3.248 1.00 0.00 N ATOM 567 CA ILE B 76 15.488 -1.347 -4.291 1.00 0.00 C ATOM 568 C ILE B 76 16.963 -1.243 -3.919 1.00 0.00 C ATOM 569 O ILE B 76 17.726 -2.194 -4.091 1.00 0.00 O ATOM 570 CB ILE B 76 15.260 -0.644 -5.643 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.782 -0.707 -6.032 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.125 -1.278 -6.722 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.404 0.263 -7.129 1.00 0.00 C ATOM 0 H ILE B 76 14.127 0.052 -3.528 1.00 0.00 H new ATOM 0 HA ILE B 76 15.213 -2.397 -4.386 1.00 0.00 H new ATOM 0 HB ILE B 76 15.546 0.403 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.543 -1.720 -6.356 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.174 -0.502 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE B 76 15.953 -0.771 -7.671 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.176 -1.186 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.867 -2.332 -6.822 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.342 0.163 -7.353 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.611 1.282 -6.801 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.986 0.044 -8.024 1.00 0.00 H new ATOM 585 N ILE B 77 17.358 -0.081 -3.407 1.00 0.00 N ATOM 586 CA ILE B 77 18.741 0.146 -3.008 1.00 0.00 C ATOM 587 C ILE B 77 19.126 -0.741 -1.829 1.00 0.00 C ATOM 588 O ILE B 77 20.079 -1.517 -1.907 1.00 0.00 O ATOM 589 CB ILE B 77 18.982 1.619 -2.627 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.978 2.499 -3.879 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.296 1.763 -1.875 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.157 2.253 -4.794 1.00 0.00 C ATOM 0 H ILE B 77 16.740 0.717 -3.259 1.00 0.00 H new ATOM 0 HA ILE B 77 19.363 -0.106 -3.867 1.00 0.00 H new ATOM 0 HB ILE B 77 18.174 1.947 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.056 2.324 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.975 3.546 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.452 2.809 -1.613 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.263 1.162 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.116 1.421 -2.506 1.00 0.00 H new ATOM 0 HD11 ILE B 77 20.089 2.911 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.083 2.456 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.150 1.215 -5.126 1.00 0.00 H new ATOM 604 N PHE B 78 18.377 -0.624 -0.737 1.00 0.00 N ATOM 605 CA PHE B 78 18.639 -1.416 0.458 1.00 0.00 C ATOM 606 C PHE B 78 18.528 -2.908 0.158 1.00 0.00 C ATOM 607 O PHE B 78 19.200 -3.729 0.779 1.00 0.00 O ATOM 608 CB PHE B 78 17.662 -1.035 1.573 1.00 0.00 C ATOM 609 CG PHE B 78 17.727 -1.946 2.764 1.00 0.00 C ATOM 610 CD1 PHE B 78 16.949 -3.092 2.820 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.564 -1.658 3.830 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.006 -3.933 3.915 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.626 -2.496 4.927 1.00 0.00 C ATOM 614 CZ PHE B 78 17.845 -3.634 4.970 1.00 0.00 C ATOM 0 H PHE B 78 17.584 0.012 -0.656 1.00 0.00 H new ATOM 0 HA PHE B 78 19.656 -1.204 0.787 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.870 -0.015 1.894 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.647 -1.043 1.175 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.290 -3.330 1.998 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.175 -0.768 3.803 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.395 -4.823 3.946 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.285 -2.261 5.750 1.00 0.00 H new ATOM 0 HZ PHE B 78 17.890 -4.289 5.827 1.00 0.00 H new ATOM 624 N GLY B 79 17.672 -3.250 -0.801 1.00 0.00 N ATOM 625 CA GLY B 79 17.487 -4.642 -1.168 1.00 0.00 C ATOM 626 C GLY B 79 18.699 -5.223 -1.868 1.00 0.00 C ATOM 627 O GLY B 79 19.343 -6.137 -1.354 1.00 0.00 O ATOM 0 H GLY B 79 17.104 -2.588 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.274 -5.225 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.618 -4.730 -1.820 1.00 0.00 H new ATOM 631 N VAL B 80 19.010 -4.693 -3.047 1.00 0.00 N ATOM 632 CA VAL B 80 20.153 -5.166 -3.820 1.00 0.00 C ATOM 633 C VAL B 80 21.441 -5.069 -3.011 1.00 0.00 C ATOM 634 O VAL B 80 22.322 -5.922 -3.123 1.00 0.00 O ATOM 635 CB VAL B 80 20.317 -4.365 -5.125 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.533 -4.851 -5.900 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.059 -4.464 -5.973 1.00 0.00 C ATOM 0 H VAL B 80 18.487 -3.936 -3.488 1.00 0.00 H new ATOM 0 HA VAL B 80 19.960 -6.210 -4.065 1.00 0.00 H new ATOM 0 HB VAL B 80 20.473 -3.317 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.633 -4.274 -6.819 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.428 -4.722 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.410 -5.906 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.193 -3.892 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.868 -5.508 -6.221 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.212 -4.063 -5.416 1.00 0.00 H new ATOM 647 N MET B 81 21.545 -4.024 -2.196 1.00 0.00 N ATOM 648 CA MET B 81 22.726 -3.817 -1.366 1.00 0.00 C ATOM 649 C MET B 81 22.855 -4.919 -0.320 1.00 0.00 C ATOM 650 O MET B 81 23.928 -5.495 -0.140 1.00 0.00 O ATOM 651 CB MET B 81 22.660 -2.452 -0.680 1.00 0.00 C ATOM 652 CG MET B 81 23.076 -1.299 -1.578 1.00 0.00 C ATOM 653 SD MET B 81 24.817 -0.868 -1.393 1.00 0.00 S ATOM 654 CE MET B 81 25.266 -0.533 -3.095 1.00 0.00 C ATOM 0 H MET B 81 20.826 -3.308 -2.093 1.00 0.00 H new ATOM 0 HA MET B 81 23.604 -3.849 -2.012 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.642 -2.280 -0.330 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.302 -2.466 0.201 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.880 -1.564 -2.617 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.464 -0.427 -1.350 1.00 0.00 H new ATOM 0 HE1 MET B 81 26.318 -0.252 -3.145 1.00 0.00 H new ATOM 0 HE2 MET B 81 25.100 -1.426 -3.698 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.654 0.283 -3.479 1.00 0.00 H new ATOM 664 N ALA B 82 21.755 -5.208 0.368 1.00 0.00 N ATOM 665 CA ALA B 82 21.746 -6.243 1.395 1.00 0.00 C ATOM 666 C ALA B 82 22.084 -7.607 0.803 1.00 0.00 C ATOM 667 O ALA B 82 22.801 -8.399 1.414 1.00 0.00 O ATOM 668 CB ALA B 82 20.392 -6.287 2.088 1.00 0.00 C ATOM 0 H ALA B 82 20.859 -4.740 0.233 1.00 0.00 H new ATOM 0 HA ALA B 82 22.511 -5.996 2.131 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.400 -7.064 2.852 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.190 -5.322 2.553 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.615 -6.506 1.355 1.00 0.00 H new ATOM 674 N GLY B 83 21.563 -7.875 -0.390 1.00 0.00 N ATOM 675 CA GLY B 83 21.821 -9.145 -1.044 1.00 0.00 C ATOM 676 C GLY B 83 23.237 -9.247 -1.575 1.00 0.00 C ATOM 677 O GLY B 83 23.978 -10.162 -1.215 1.00 0.00 O ATOM 0 H GLY B 83 20.967 -7.236 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.642 -9.956 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.118 -9.276 -1.866 1.00 0.00 H new ATOM 681 N VAL B 84 23.615 -8.306 -2.434 1.00 0.00 N ATOM 682 CA VAL B 84 24.951 -8.294 -3.016 1.00 0.00 C ATOM 683 C VAL B 84 26.023 -8.306 -1.932 1.00 0.00 C ATOM 684 O VAL B 84 26.953 -9.112 -1.973 1.00 0.00 O ATOM 685 CB VAL B 84 25.161 -7.062 -3.916 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.584 -7.028 -4.452 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.153 -7.058 -5.056 1.00 0.00 C ATOM 0 H VAL B 84 23.014 -7.542 -2.742 1.00 0.00 H new ATOM 0 HA VAL B 84 25.040 -9.196 -3.621 1.00 0.00 H new ATOM 0 HB VAL B 84 25.003 -6.165 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.713 -6.151 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.285 -6.981 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.774 -7.928 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.315 -6.181 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.278 -7.960 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.143 -7.031 -4.648 1.00 0.00 H new ATOM 697 N ILE B 85 25.886 -7.407 -0.963 1.00 0.00 N ATOM 698 CA ILE B 85 26.842 -7.315 0.134 1.00 0.00 C ATOM 699 C ILE B 85 26.863 -8.601 0.954 1.00 0.00 C ATOM 700 O ILE B 85 27.927 -9.137 1.259 1.00 0.00 O ATOM 701 CB ILE B 85 26.519 -6.131 1.064 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.690 -4.806 0.318 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.409 -6.169 2.297 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.116 -4.530 -0.104 1.00 0.00 C ATOM 0 H ILE B 85 25.123 -6.732 -0.915 1.00 0.00 H new ATOM 0 HA ILE B 85 27.823 -7.157 -0.314 1.00 0.00 H new ATOM 0 HB ILE B 85 25.481 -6.213 1.386 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.053 -4.811 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.344 -3.992 0.955 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.169 -5.326 2.945 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.242 -7.101 2.837 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.454 -6.107 1.993 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.162 -3.575 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.756 -4.492 0.778 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.459 -5.324 -0.767 1.00 0.00 H new ATOM 716 N GLY B 86 25.679 -9.091 1.306 1.00 0.00 N ATOM 717 CA GLY B 86 25.583 -10.311 2.086 1.00 0.00 C ATOM 718 C GLY B 86 26.246 -11.490 1.401 1.00 0.00 C ATOM 719 O GLY B 86 26.885 -12.318 2.052 1.00 0.00 O ATOM 0 H GLY B 86 24.784 -8.665 1.065 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.046 -10.153 3.060 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.533 -10.542 2.266 1.00 0.00 H new ATOM 723 N THR B 87 26.092 -11.570 0.083 1.00 0.00 N ATOM 724 CA THR B 87 26.678 -12.658 -0.690 1.00 0.00 C ATOM 725 C THR B 87 28.199 -12.561 -0.711 1.00 0.00 C ATOM 726 O THR B 87 28.895 -13.487 -0.292 1.00 0.00 O ATOM 727 CB THR B 87 26.156 -12.662 -2.140 1.00 0.00 C ATOM 728 OG1 THR B 87 24.726 -12.577 -2.145 1.00 0.00 O ATOM 729 CG2 THR B 87 26.597 -13.921 -2.870 1.00 0.00 C ATOM 0 H THR B 87 25.566 -10.894 -0.471 1.00 0.00 H new ATOM 0 HA THR B 87 26.382 -13.587 -0.202 1.00 0.00 H new ATOM 0 HB THR B 87 26.573 -11.797 -2.656 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.450 -11.684 -1.851 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.217 -13.901 -3.891 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.686 -13.968 -2.889 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.205 -14.797 -2.354 1.00 0.00 H new ATOM 737 N ILE B 88 28.709 -11.436 -1.199 1.00 0.00 N ATOM 738 CA ILE B 88 30.149 -11.218 -1.272 1.00 0.00 C ATOM 739 C ILE B 88 30.801 -11.400 0.094 1.00 0.00 C ATOM 740 O ILE B 88 31.902 -11.943 0.201 1.00 0.00 O ATOM 741 CB ILE B 88 30.479 -9.811 -1.803 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.863 -9.607 -3.189 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.986 -9.604 -1.851 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.957 -8.183 -3.688 1.00 0.00 C ATOM 0 H ILE B 88 28.147 -10.661 -1.550 1.00 0.00 H new ATOM 0 HA ILE B 88 30.547 -11.960 -1.964 1.00 0.00 H new ATOM 0 HB ILE B 88 30.051 -9.073 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.361 -10.266 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.815 -9.905 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.204 -8.605 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.400 -9.712 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.434 -10.347 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.501 -8.113 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.434 -7.521 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.004 -7.888 -3.751 1.00 0.00 H new ATOM 756 N LEU B 89 30.116 -10.944 1.137 1.00 0.00 N ATOM 757 CA LEU B 89 30.628 -11.058 2.498 1.00 0.00 C ATOM 758 C LEU B 89 30.731 -12.520 2.920 1.00 0.00 C ATOM 759 O LEU B 89 31.793 -12.982 3.342 1.00 0.00 O ATOM 760 CB LEU B 89 29.723 -10.298 3.469 1.00 0.00 C ATOM 761 CG LEU B 89 29.970 -8.793 3.578 1.00 0.00 C ATOM 762 CD1 LEU B 89 28.930 -8.145 4.479 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.374 -8.518 4.096 1.00 0.00 C ATOM 0 H LEU B 89 29.204 -10.492 1.066 1.00 0.00 H new ATOM 0 HA LEU B 89 31.626 -10.621 2.523 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.687 -10.455 3.168 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.837 -10.737 4.460 1.00 0.00 H new ATOM 0 HG LEU B 89 29.881 -8.357 2.583 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.122 -7.074 4.545 1.00 0.00 H new ATOM 0 HD12 LEU B 89 27.936 -8.311 4.065 1.00 0.00 H new ATOM 0 HD13 LEU B 89 28.986 -8.585 5.475 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.531 -7.442 4.167 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.493 -8.968 5.082 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.105 -8.947 3.411 1.00 0.00 H new ATOM 775 N LEU B 90 29.624 -13.245 2.802 1.00 0.00 N ATOM 776 CA LEU B 90 29.590 -14.656 3.170 1.00 0.00 C ATOM 777 C LEU B 90 30.676 -15.436 2.436 1.00 0.00 C ATOM 778 O LEU B 90 31.427 -16.198 3.046 1.00 0.00 O ATOM 779 CB LEU B 90 28.217 -15.252 2.855 1.00 0.00 C ATOM 780 CG LEU B 90 27.758 -16.395 3.762 1.00 0.00 C ATOM 781 CD1 LEU B 90 28.673 -17.599 3.608 1.00 0.00 C ATOM 782 CD2 LEU B 90 27.712 -15.938 5.213 1.00 0.00 C ATOM 0 H LEU B 90 28.738 -12.879 2.454 1.00 0.00 H new ATOM 0 HA LEU B 90 29.775 -14.732 4.241 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.476 -14.454 2.906 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.227 -15.612 1.826 1.00 0.00 H new ATOM 0 HG LEU B 90 26.752 -16.690 3.463 1.00 0.00 H new ATOM 0 HD11 LEU B 90 28.331 -18.402 4.261 1.00 0.00 H new ATOM 0 HD12 LEU B 90 28.654 -17.940 2.573 1.00 0.00 H new ATOM 0 HD13 LEU B 90 29.691 -17.319 3.880 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.383 -16.764 5.844 1.00 0.00 H new ATOM 0 HD22 LEU B 90 28.706 -15.616 5.525 1.00 0.00 H new ATOM 0 HD23 LEU B 90 27.014 -15.107 5.311 1.00 0.00 H new ATOM 794 N ILE B 91 30.756 -15.238 1.124 1.00 0.00 N ATOM 795 CA ILE B 91 31.753 -15.920 0.309 1.00 0.00 C ATOM 796 C ILE B 91 33.165 -15.492 0.693 1.00 0.00 C ATOM 797 O ILE B 91 34.003 -16.322 1.043 1.00 0.00 O ATOM 798 CB ILE B 91 31.536 -15.647 -1.191 1.00 0.00 C ATOM 799 CG1 ILE B 91 30.143 -16.113 -1.621 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.610 -16.338 -2.017 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.841 -15.849 -3.080 1.00 0.00 C ATOM 0 H ILE B 91 30.142 -14.611 0.604 1.00 0.00 H new ATOM 0 HA ILE B 91 31.637 -16.987 0.497 1.00 0.00 H new ATOM 0 HB ILE B 91 31.608 -14.573 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE B 91 30.050 -17.182 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.395 -15.611 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.442 -16.135 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.591 -15.962 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.568 -17.413 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.838 -16.205 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.901 -14.778 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.566 -16.373 -3.702 1.00 0.00 H new ATOM 813 N SER B 92 33.420 -14.189 0.628 1.00 0.00 N ATOM 814 CA SER B 92 34.731 -13.649 0.967 1.00 0.00 C ATOM 815 C SER B 92 35.152 -14.084 2.368 1.00 0.00 C ATOM 816 O SER B 92 36.342 -14.155 2.677 1.00 0.00 O ATOM 817 CB SER B 92 34.716 -12.122 0.879 1.00 0.00 C ATOM 818 OG SER B 92 36.028 -11.593 0.965 1.00 0.00 O ATOM 0 H SER B 92 32.736 -13.488 0.344 1.00 0.00 H new ATOM 0 HA SER B 92 35.453 -14.040 0.251 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.257 -11.813 -0.060 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.103 -11.714 1.683 1.00 0.00 H new ATOM 0 HG SER B 92 35.991 -10.616 0.905 1.00 0.00 H new ATOM 824 N TYR B 93 34.167 -14.375 3.210 1.00 0.00 N ATOM 825 CA TYR B 93 34.434 -14.802 4.579 1.00 0.00 C ATOM 826 C TYR B 93 34.924 -16.246 4.614 1.00 0.00 C ATOM 827 O TYR B 93 35.916 -16.561 5.271 1.00 0.00 O ATOM 828 CB TYR B 93 33.173 -14.658 5.434 1.00 0.00 C ATOM 829 CG TYR B 93 33.417 -14.868 6.912 1.00 0.00 C ATOM 830 CD1 TYR B 93 34.186 -13.971 7.643 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.878 -15.962 7.577 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.413 -14.159 8.993 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.097 -16.157 8.927 1.00 0.00 C ATOM 834 CZ TYR B 93 33.866 -15.253 9.630 1.00 0.00 C ATOM 835 OH TYR B 93 34.087 -15.443 10.975 1.00 0.00 O ATOM 0 H TYR B 93 33.177 -14.323 2.969 1.00 0.00 H new ATOM 0 HA TYR B 93 35.217 -14.163 4.987 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.752 -13.664 5.281 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.428 -15.376 5.092 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.614 -13.112 7.148 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.277 -16.673 7.029 1.00 0.00 H new ATOM 0 HE1 TYR B 93 35.015 -13.453 9.546 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.669 -17.012 9.429 1.00 0.00 H new ATOM 0 HH TYR B 93 33.631 -16.259 11.269 1.00 0.00 H new