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 55:sc= -2.73! USER MOD Single : A 92 SER OG : rot -31:sc= 0.346 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 60:sc= 0.12 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 9.506 -4.908 -4.232 1.00 0.00 N ATOM 79 CA LEU A 75 10.761 -4.276 -4.626 1.00 0.00 C ATOM 80 C LEU A 75 11.941 -4.904 -3.892 1.00 0.00 C ATOM 81 O LEU A 75 13.024 -5.061 -4.457 1.00 0.00 O ATOM 82 CB LEU A 75 10.710 -2.774 -4.342 1.00 0.00 C ATOM 83 CG LEU A 75 9.490 -2.029 -4.885 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.148 -0.844 -3.995 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.737 -1.571 -6.314 1.00 0.00 C ATOM 0 HA LEU A 75 10.898 -4.433 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.750 -2.627 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.606 -2.315 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 75 8.642 -2.713 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.277 -0.326 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.927 -1.197 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.994 -0.158 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.858 -1.043 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.598 -0.904 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.932 -2.438 -6.945 1.00 0.00 H new ATOM 97 N ILE A 76 11.724 -5.264 -2.632 1.00 0.00 N ATOM 98 CA ILE A 76 12.768 -5.878 -1.822 1.00 0.00 C ATOM 99 C ILE A 76 13.148 -7.252 -2.364 1.00 0.00 C ATOM 100 O ILE A 76 14.326 -7.608 -2.412 1.00 0.00 O ATOM 101 CB ILE A 76 12.330 -6.022 -0.352 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.950 -4.657 0.225 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.439 -6.661 0.471 1.00 0.00 C ATOM 104 CD1 ILE A 76 11.114 -4.745 1.482 1.00 0.00 C ATOM 0 H ILE A 76 10.834 -5.141 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 76 13.634 -5.218 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 76 11.454 -6.670 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.860 -4.097 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.400 -4.093 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.115 -6.756 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.667 -7.649 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.331 -6.037 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.882 -3.740 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.187 -5.277 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.669 -5.281 2.252 1.00 0.00 H new ATOM 116 N ILE A 77 12.143 -8.019 -2.773 1.00 0.00 N ATOM 117 CA ILE A 77 12.371 -9.353 -3.315 1.00 0.00 C ATOM 118 C ILE A 77 13.127 -9.286 -4.638 1.00 0.00 C ATOM 119 O ILE A 77 14.212 -9.853 -4.774 1.00 0.00 O ATOM 120 CB ILE A 77 11.046 -10.107 -3.531 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.365 -10.381 -2.188 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.294 -11.408 -4.280 1.00 0.00 C ATOM 123 CD1 ILE A 77 8.860 -10.494 -2.286 1.00 0.00 C ATOM 0 H ILE A 77 11.163 -7.739 -2.739 1.00 0.00 H new ATOM 0 HA ILE A 77 12.971 -9.893 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 77 10.384 -9.484 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.764 -11.305 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.617 -9.581 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.348 -11.930 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.741 -11.190 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.971 -12.037 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.445 -10.688 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.450 -9.562 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.600 -11.313 -2.956 1.00 0.00 H new ATOM 135 N PHE A 78 12.547 -8.590 -5.610 1.00 0.00 N ATOM 136 CA PHE A 78 13.166 -8.448 -6.922 1.00 0.00 C ATOM 137 C PHE A 78 14.532 -7.778 -6.810 1.00 0.00 C ATOM 138 O PHE A 78 15.434 -8.045 -7.603 1.00 0.00 O ATOM 139 CB PHE A 78 12.262 -7.636 -7.851 1.00 0.00 C ATOM 140 CG PHE A 78 12.911 -7.276 -9.157 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.661 -6.117 -9.277 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.771 -8.097 -10.264 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.260 -5.784 -10.478 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.368 -7.769 -11.467 1.00 0.00 C ATOM 145 CZ PHE A 78 14.113 -6.611 -11.574 1.00 0.00 C ATOM 0 H PHE A 78 11.649 -8.116 -5.514 1.00 0.00 H new ATOM 0 HA PHE A 78 13.303 -9.445 -7.340 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.354 -8.206 -8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.959 -6.722 -7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.779 -5.467 -8.423 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.189 -9.003 -10.186 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.842 -4.878 -10.559 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.252 -8.418 -12.323 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.580 -6.353 -12.513 1.00 0.00 H new ATOM 155 N GLY A 79 14.677 -6.904 -5.819 1.00 0.00 N ATOM 156 CA GLY A 79 15.934 -6.207 -5.620 1.00 0.00 C ATOM 157 C GLY A 79 17.041 -7.131 -5.152 1.00 0.00 C ATOM 158 O GLY A 79 18.019 -7.353 -5.866 1.00 0.00 O ATOM 0 H GLY A 79 13.945 -6.666 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.233 -5.730 -6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.794 -5.413 -4.887 1.00 0.00 H new ATOM 162 N VAL A 80 16.889 -7.671 -3.947 1.00 0.00 N ATOM 163 CA VAL A 80 17.883 -8.576 -3.383 1.00 0.00 C ATOM 164 C VAL A 80 18.147 -9.753 -4.316 1.00 0.00 C ATOM 165 O VAL A 80 19.270 -10.247 -4.407 1.00 0.00 O ATOM 166 CB VAL A 80 17.439 -9.113 -2.010 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.471 -10.084 -1.457 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.202 -7.965 -1.041 1.00 0.00 C ATOM 0 H VAL A 80 16.086 -7.497 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 80 18.801 -8.001 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 80 16.500 -9.652 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.140 -10.453 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.586 -10.923 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.427 -9.573 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.889 -8.363 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.124 -7.397 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.423 -7.312 -1.434 1.00 0.00 H new ATOM 178 N MET A 81 17.103 -10.198 -5.008 1.00 0.00 N ATOM 179 CA MET A 81 17.222 -11.316 -5.936 1.00 0.00 C ATOM 180 C MET A 81 18.128 -10.956 -7.109 1.00 0.00 C ATOM 181 O MET A 81 19.052 -11.697 -7.443 1.00 0.00 O ATOM 182 CB MET A 81 15.842 -11.729 -6.451 1.00 0.00 C ATOM 183 CG MET A 81 15.094 -12.657 -5.508 1.00 0.00 C ATOM 184 SD MET A 81 15.609 -14.377 -5.673 1.00 0.00 S ATOM 185 CE MET A 81 14.826 -15.105 -4.236 1.00 0.00 C ATOM 0 H MET A 81 16.166 -9.801 -4.943 1.00 0.00 H new ATOM 0 HA MET A 81 17.668 -12.154 -5.400 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.243 -10.834 -6.618 1.00 0.00 H new ATOM 0 HB3 MET A 81 15.956 -12.221 -7.417 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.254 -12.331 -4.480 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.024 -12.582 -5.703 1.00 0.00 H new ATOM 0 HE1 MET A 81 15.053 -16.171 -4.199 1.00 0.00 H new ATOM 0 HE2 MET A 81 15.201 -14.623 -3.334 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.747 -14.966 -4.300 1.00 0.00 H new ATOM 195 N ALA A 82 17.857 -9.813 -7.730 1.00 0.00 N ATOM 196 CA ALA A 82 18.650 -9.354 -8.864 1.00 0.00 C ATOM 197 C ALA A 82 20.101 -9.116 -8.460 1.00 0.00 C ATOM 198 O ALA A 82 21.021 -9.370 -9.236 1.00 0.00 O ATOM 199 CB ALA A 82 18.048 -8.084 -9.449 1.00 0.00 C ATOM 0 H ALA A 82 17.095 -9.188 -7.467 1.00 0.00 H new ATOM 0 HA ALA A 82 18.636 -10.134 -9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.650 -7.752 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.030 -8.285 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.032 -7.305 -8.687 1.00 0.00 H new ATOM 205 N GLY A 83 20.298 -8.625 -7.240 1.00 0.00 N ATOM 206 CA GLY A 83 21.640 -8.360 -6.755 1.00 0.00 C ATOM 207 C GLY A 83 22.397 -9.630 -6.423 1.00 0.00 C ATOM 208 O GLY A 83 23.491 -9.862 -6.938 1.00 0.00 O ATOM 0 H GLY A 83 19.552 -8.406 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.191 -7.799 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.584 -7.731 -5.867 1.00 0.00 H new ATOM 212 N VAL A 84 21.816 -10.456 -5.559 1.00 0.00 N ATOM 213 CA VAL A 84 22.443 -11.709 -5.158 1.00 0.00 C ATOM 214 C VAL A 84 22.785 -12.566 -6.372 1.00 0.00 C ATOM 215 O VAL A 84 23.910 -13.047 -6.508 1.00 0.00 O ATOM 216 CB VAL A 84 21.532 -12.517 -4.215 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.154 -13.868 -3.899 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.260 -11.734 -2.939 1.00 0.00 C ATOM 0 H VAL A 84 20.911 -10.279 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 84 23.360 -11.448 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 84 20.581 -12.691 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.496 -14.424 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.293 -14.430 -4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.120 -13.720 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.615 -12.319 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.202 -11.528 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.768 -10.794 -3.187 1.00 0.00 H new ATOM 228 N ILE A 85 21.807 -12.751 -7.253 1.00 0.00 N ATOM 229 CA ILE A 85 22.005 -13.548 -8.457 1.00 0.00 C ATOM 230 C ILE A 85 23.052 -12.916 -9.369 1.00 0.00 C ATOM 231 O ILE A 85 23.963 -13.590 -9.847 1.00 0.00 O ATOM 232 CB ILE A 85 20.692 -13.718 -9.242 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.899 -14.909 -8.701 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.980 -13.896 -10.725 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.596 -14.812 -7.222 1.00 0.00 C ATOM 0 H ILE A 85 20.870 -12.360 -7.155 1.00 0.00 H new ATOM 0 HA ILE A 85 22.354 -14.528 -8.132 1.00 0.00 H new ATOM 0 HB ILE A 85 20.091 -12.818 -9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 85 18.962 -14.991 -9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 85 20.460 -15.824 -8.889 1.00 0.00 H new ATOM 0 HG21 ILE A 85 20.041 -14.015 -11.266 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.507 -13.019 -11.101 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.598 -14.782 -10.872 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.032 -15.690 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.530 -14.761 -6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 85 19.008 -13.915 -7.029 1.00 0.00 H new ATOM 247 N GLY A 86 22.915 -11.614 -9.604 1.00 0.00 N ATOM 248 CA GLY A 86 23.856 -10.912 -10.457 1.00 0.00 C ATOM 249 C GLY A 86 25.276 -10.978 -9.930 1.00 0.00 C ATOM 250 O GLY A 86 26.230 -11.074 -10.703 1.00 0.00 O ATOM 0 H GLY A 86 22.170 -11.034 -9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.823 -11.340 -11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.553 -9.869 -10.546 1.00 0.00 H new ATOM 254 N THR A 87 25.419 -10.924 -8.609 1.00 0.00 N ATOM 255 CA THR A 87 26.733 -10.976 -7.980 1.00 0.00 C ATOM 256 C THR A 87 27.366 -12.353 -8.141 1.00 0.00 C ATOM 257 O THR A 87 28.452 -12.485 -8.706 1.00 0.00 O ATOM 258 CB THR A 87 26.651 -10.632 -6.481 1.00 0.00 C ATOM 259 OG1 THR A 87 26.056 -9.342 -6.305 1.00 0.00 O ATOM 260 CG2 THR A 87 28.033 -10.650 -5.846 1.00 0.00 C ATOM 0 H THR A 87 24.641 -10.844 -7.954 1.00 0.00 H new ATOM 0 HA THR A 87 27.354 -10.234 -8.482 1.00 0.00 H new ATOM 0 HB THR A 87 26.033 -11.385 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.187 -9.318 -6.758 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.950 -10.404 -4.787 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.471 -11.642 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.670 -9.916 -6.340 1.00 0.00 H new ATOM 268 N ILE A 88 26.681 -13.376 -7.641 1.00 0.00 N ATOM 269 CA ILE A 88 27.176 -14.744 -7.732 1.00 0.00 C ATOM 270 C ILE A 88 27.464 -15.130 -9.179 1.00 0.00 C ATOM 271 O ILE A 88 28.442 -15.821 -9.466 1.00 0.00 O ATOM 272 CB ILE A 88 26.172 -15.747 -7.135 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.863 -15.388 -5.680 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.717 -17.164 -7.232 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.713 -16.177 -5.094 1.00 0.00 C ATOM 0 H ILE A 88 25.782 -13.283 -7.169 1.00 0.00 H new ATOM 0 HA ILE A 88 28.101 -14.783 -7.157 1.00 0.00 H new ATOM 0 HB ILE A 88 25.246 -15.695 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.754 -15.557 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.632 -14.324 -5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.996 -17.861 -6.806 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.891 -17.416 -8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.655 -17.231 -6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.550 -15.870 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.810 -15.989 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.949 -17.241 -5.124 1.00 0.00 H new ATOM 287 N LEU A 89 26.607 -14.677 -10.087 1.00 0.00 N ATOM 288 CA LEU A 89 26.770 -14.973 -11.507 1.00 0.00 C ATOM 289 C LEU A 89 28.039 -14.328 -12.055 1.00 0.00 C ATOM 290 O LEU A 89 28.880 -15.000 -12.655 1.00 0.00 O ATOM 291 CB LEU A 89 25.554 -14.481 -12.293 1.00 0.00 C ATOM 292 CG LEU A 89 24.354 -15.428 -12.336 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.185 -14.777 -13.058 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.734 -16.740 -13.007 1.00 0.00 C ATOM 0 H LEU A 89 25.793 -14.104 -9.866 1.00 0.00 H new ATOM 0 HA LEU A 89 26.855 -16.054 -11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.228 -13.533 -11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.867 -14.276 -13.317 1.00 0.00 H new ATOM 0 HG LEU A 89 24.048 -15.642 -11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.341 -15.466 -13.078 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.897 -13.865 -12.535 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.478 -14.532 -14.079 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.868 -17.402 -13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 89 25.067 -16.544 -14.026 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.540 -17.215 -12.447 1.00 0.00 H new ATOM 306 N LEU A 90 28.172 -13.024 -11.845 1.00 0.00 N ATOM 307 CA LEU A 90 29.341 -12.288 -12.316 1.00 0.00 C ATOM 308 C LEU A 90 30.628 -12.920 -11.797 1.00 0.00 C ATOM 309 O LEU A 90 31.560 -13.170 -12.562 1.00 0.00 O ATOM 310 CB LEU A 90 29.261 -10.827 -11.871 1.00 0.00 C ATOM 311 CG LEU A 90 29.939 -9.808 -12.788 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.338 -8.425 -12.587 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.440 -9.781 -12.538 1.00 0.00 C ATOM 0 H LEU A 90 27.485 -12.454 -11.352 1.00 0.00 H new ATOM 0 HA LEU A 90 29.352 -12.330 -13.405 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.210 -10.555 -11.773 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.705 -10.745 -10.879 1.00 0.00 H new ATOM 0 HG LEU A 90 29.768 -10.109 -13.822 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.833 -7.714 -13.248 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.273 -8.454 -12.818 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.477 -8.115 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.906 -9.050 -13.199 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.631 -9.506 -11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.859 -10.768 -12.735 1.00 0.00 H new ATOM 325 N ILE A 91 30.671 -13.178 -10.495 1.00 0.00 N ATOM 326 CA ILE A 91 31.843 -13.785 -9.875 1.00 0.00 C ATOM 327 C ILE A 91 32.073 -15.198 -10.399 1.00 0.00 C ATOM 328 O ILE A 91 33.142 -15.511 -10.923 1.00 0.00 O ATOM 329 CB ILE A 91 31.707 -13.834 -8.342 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.518 -12.423 -7.779 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.928 -14.498 -7.723 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.352 -12.390 -6.276 1.00 0.00 C ATOM 0 H ILE A 91 29.908 -12.976 -9.848 1.00 0.00 H new ATOM 0 HA ILE A 91 32.697 -13.160 -10.136 1.00 0.00 H new ATOM 0 HB ILE A 91 30.828 -14.426 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.378 -11.812 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.642 -11.969 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.817 -14.525 -6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 91 33.021 -15.515 -8.104 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.822 -13.930 -7.982 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.223 -11.359 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.476 -12.974 -5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.238 -12.814 -5.803 1.00 0.00 H new ATOM 344 N SER A 92 31.060 -16.048 -10.257 1.00 0.00 N ATOM 345 CA SER A 92 31.152 -17.429 -10.714 1.00 0.00 C ATOM 346 C SER A 92 31.530 -17.489 -12.191 1.00 0.00 C ATOM 347 O SER A 92 32.092 -18.478 -12.661 1.00 0.00 O ATOM 348 CB SER A 92 29.824 -18.154 -10.486 1.00 0.00 C ATOM 349 OG SER A 92 28.837 -17.708 -11.399 1.00 0.00 O ATOM 0 H SER A 92 30.167 -15.804 -9.829 1.00 0.00 H new ATOM 0 HA SER A 92 31.932 -17.925 -10.137 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.969 -19.229 -10.598 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.483 -17.983 -9.465 1.00 0.00 H new ATOM 0 HG SER A 92 28.999 -16.768 -11.623 1.00 0.00 H new ATOM 355 N TYR A 93 31.216 -16.422 -12.919 1.00 0.00 N ATOM 356 CA TYR A 93 31.519 -16.352 -14.343 1.00 0.00 C ATOM 357 C TYR A 93 33.022 -16.227 -14.575 1.00 0.00 C ATOM 358 O TYR A 93 33.617 -17.018 -15.305 1.00 0.00 O ATOM 359 CB TYR A 93 30.793 -15.168 -14.983 1.00 0.00 C ATOM 360 CG TYR A 93 30.961 -15.094 -16.484 1.00 0.00 C ATOM 361 CD1 TYR A 93 30.691 -16.195 -17.288 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.390 -13.925 -17.098 1.00 0.00 C ATOM 363 CE1 TYR A 93 30.843 -16.133 -18.659 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.543 -13.853 -18.469 1.00 0.00 C ATOM 365 CZ TYR A 93 31.269 -14.959 -19.245 1.00 0.00 C ATOM 366 OH TYR A 93 31.422 -14.892 -20.611 1.00 0.00 O ATOM 0 H TYR A 93 30.752 -15.594 -12.546 1.00 0.00 H new ATOM 0 HA TYR A 93 31.173 -17.276 -14.807 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.731 -15.234 -14.748 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.161 -14.243 -14.539 1.00 0.00 H new ATOM 0 HD1 TYR A 93 30.356 -17.115 -16.832 1.00 0.00 H new ATOM 0 HD2 TYR A 93 31.608 -13.057 -16.493 1.00 0.00 H new ATOM 0 HE1 TYR A 93 30.630 -16.998 -19.269 1.00 0.00 H new ATOM 0 HE2 TYR A 93 31.876 -12.935 -18.931 1.00 0.00 H new ATOM 0 HH TYR A 93 31.727 -13.995 -20.862 1.00 0.00 H new ATOM 547 N LEU B 75 13.685 0.840 -1.192 1.00 0.00 N ATOM 548 CA LEU B 75 13.678 -0.599 -0.952 1.00 0.00 C ATOM 549 C LEU B 75 14.572 -1.323 -1.953 1.00 0.00 C ATOM 550 O LEU B 75 15.227 -2.310 -1.616 1.00 0.00 O ATOM 551 CB LEU B 75 12.251 -1.144 -1.038 1.00 0.00 C ATOM 552 CG LEU B 75 11.196 -0.391 -0.227 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.836 -0.488 -0.900 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.129 -0.932 1.194 1.00 0.00 C ATOM 0 HA LEU B 75 14.068 -0.777 0.050 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.945 -1.143 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.260 -2.183 -0.709 1.00 0.00 H new ATOM 0 HG LEU B 75 11.482 0.660 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.098 0.054 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.892 -0.053 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.542 -1.535 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.373 -0.384 1.757 1.00 0.00 H new ATOM 0 HD22 LEU B 75 10.867 -1.990 1.169 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.099 -0.810 1.676 1.00 0.00 H new ATOM 566 N ILE B 76 14.596 -0.825 -3.185 1.00 0.00 N ATOM 567 CA ILE B 76 15.412 -1.423 -4.234 1.00 0.00 C ATOM 568 C ILE B 76 16.898 -1.282 -3.922 1.00 0.00 C ATOM 569 O ILE B 76 17.671 -2.225 -4.094 1.00 0.00 O ATOM 570 CB ILE B 76 15.124 -0.782 -5.605 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.645 -0.935 -5.963 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.002 -1.410 -6.678 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.158 0.086 -6.967 1.00 0.00 C ATOM 0 H ILE B 76 14.060 -0.009 -3.481 1.00 0.00 H new ATOM 0 HA ILE B 76 15.150 -2.480 -4.274 1.00 0.00 H new ATOM 0 HB ILE B 76 15.357 0.281 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.478 -1.935 -6.364 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.049 -0.852 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE B 76 15.787 -0.947 -7.641 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.051 -1.254 -6.427 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.797 -2.479 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.101 -0.083 -7.174 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.293 1.089 -6.561 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.728 -0.011 -7.891 1.00 0.00 H new ATOM 585 N ILE B 77 17.291 -0.099 -3.460 1.00 0.00 N ATOM 586 CA ILE B 77 18.684 0.164 -3.121 1.00 0.00 C ATOM 587 C ILE B 77 19.129 -0.682 -1.933 1.00 0.00 C ATOM 588 O ILE B 77 20.082 -1.455 -2.030 1.00 0.00 O ATOM 589 CB ILE B 77 18.912 1.651 -2.793 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.791 2.500 -4.060 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.274 1.847 -2.145 1.00 0.00 C ATOM 592 CD1 ILE B 77 19.895 2.249 -5.063 1.00 0.00 C ATOM 0 H ILE B 77 16.664 0.692 -3.312 1.00 0.00 H new ATOM 0 HA ILE B 77 19.278 -0.101 -3.996 1.00 0.00 H new ATOM 0 HB ILE B 77 18.146 1.974 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE B 77 17.829 2.299 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.795 3.554 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.421 2.903 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.325 1.268 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.054 1.510 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE B 77 19.745 2.885 -5.936 1.00 0.00 H new ATOM 0 HD12 ILE B 77 20.859 2.478 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE B 77 19.878 1.203 -5.369 1.00 0.00 H new ATOM 604 N PHE B 78 18.432 -0.531 -0.811 1.00 0.00 N ATOM 605 CA PHE B 78 18.755 -1.281 0.397 1.00 0.00 C ATOM 606 C PHE B 78 18.642 -2.782 0.151 1.00 0.00 C ATOM 607 O PHE B 78 19.348 -3.579 0.768 1.00 0.00 O ATOM 608 CB PHE B 78 17.827 -0.869 1.542 1.00 0.00 C ATOM 609 CG PHE B 78 17.960 -1.734 2.762 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.203 -2.887 2.896 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.842 -1.395 3.776 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.323 -3.686 4.017 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.966 -2.190 4.899 1.00 0.00 C ATOM 614 CZ PHE B 78 18.205 -3.337 5.021 1.00 0.00 C ATOM 0 H PHE B 78 17.640 0.104 -0.714 1.00 0.00 H new ATOM 0 HA PHE B 78 19.784 -1.052 0.673 1.00 0.00 H new ATOM 0 HB2 PHE B 78 18.037 0.165 1.815 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.795 -0.903 1.193 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.511 -3.164 2.115 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.439 -0.499 3.687 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.728 -4.583 4.108 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.658 -1.915 5.682 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.300 -3.959 5.899 1.00 0.00 H new ATOM 624 N GLY B 79 17.746 -3.162 -0.756 1.00 0.00 N ATOM 625 CA GLY B 79 17.555 -4.567 -1.067 1.00 0.00 C ATOM 626 C GLY B 79 18.744 -5.166 -1.792 1.00 0.00 C ATOM 627 O GLY B 79 19.406 -6.066 -1.276 1.00 0.00 O ATOM 0 H GLY B 79 17.150 -2.522 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.380 -5.120 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.662 -4.682 -1.682 1.00 0.00 H new ATOM 631 N VAL B 80 19.015 -4.668 -2.995 1.00 0.00 N ATOM 632 CA VAL B 80 20.131 -5.161 -3.793 1.00 0.00 C ATOM 633 C VAL B 80 21.447 -5.035 -3.033 1.00 0.00 C ATOM 634 O VAL B 80 22.327 -5.887 -3.151 1.00 0.00 O ATOM 635 CB VAL B 80 20.246 -4.400 -5.127 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.435 -4.907 -5.930 1.00 0.00 C ATOM 637 CG2 VAL B 80 18.958 -4.528 -5.926 1.00 0.00 C ATOM 0 H VAL B 80 18.477 -3.923 -3.438 1.00 0.00 H new ATOM 0 HA VAL B 80 19.933 -6.213 -3.999 1.00 0.00 H new ATOM 0 HB VAL B 80 20.408 -3.344 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.500 -4.358 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.351 -4.758 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.307 -5.969 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.057 -3.984 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.762 -5.580 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.131 -4.112 -5.351 1.00 0.00 H new ATOM 647 N MET B 81 21.574 -3.967 -2.253 1.00 0.00 N ATOM 648 CA MET B 81 22.783 -3.730 -1.472 1.00 0.00 C ATOM 649 C MET B 81 22.958 -4.804 -0.403 1.00 0.00 C ATOM 650 O MET B 81 24.043 -5.359 -0.239 1.00 0.00 O ATOM 651 CB MET B 81 22.732 -2.348 -0.820 1.00 0.00 C ATOM 652 CG MET B 81 23.055 -1.212 -1.778 1.00 0.00 C ATOM 653 SD MET B 81 24.826 -0.907 -1.922 1.00 0.00 S ATOM 654 CE MET B 81 25.042 -0.995 -3.698 1.00 0.00 C ATOM 0 H MET B 81 20.855 -3.252 -2.145 1.00 0.00 H new ATOM 0 HA MET B 81 23.637 -3.773 -2.148 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.738 -2.189 -0.402 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.435 -2.322 0.012 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.649 -1.446 -2.762 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.560 -0.303 -1.437 1.00 0.00 H new ATOM 0 HE1 MET B 81 26.090 -0.826 -3.946 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.739 -1.980 -4.053 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.428 -0.232 -4.177 1.00 0.00 H new ATOM 664 N ALA B 82 21.882 -5.090 0.323 1.00 0.00 N ATOM 665 CA ALA B 82 21.916 -6.098 1.375 1.00 0.00 C ATOM 666 C ALA B 82 22.228 -7.478 0.804 1.00 0.00 C ATOM 667 O ALA B 82 22.962 -8.259 1.408 1.00 0.00 O ATOM 668 CB ALA B 82 20.594 -6.123 2.127 1.00 0.00 C ATOM 0 H ALA B 82 20.976 -4.638 0.202 1.00 0.00 H new ATOM 0 HA ALA B 82 22.712 -5.833 2.071 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.635 -6.881 2.909 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.413 -5.147 2.576 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.786 -6.359 1.435 1.00 0.00 H new ATOM 674 N GLY B 83 21.664 -7.771 -0.363 1.00 0.00 N ATOM 675 CA GLY B 83 21.893 -9.057 -0.996 1.00 0.00 C ATOM 676 C GLY B 83 23.289 -9.179 -1.573 1.00 0.00 C ATOM 677 O GLY B 83 24.036 -10.094 -1.224 1.00 0.00 O ATOM 0 H GLY B 83 21.052 -7.141 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.734 -9.851 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.161 -9.203 -1.790 1.00 0.00 H new ATOM 681 N VAL B 84 23.644 -8.254 -2.460 1.00 0.00 N ATOM 682 CA VAL B 84 24.960 -8.262 -3.087 1.00 0.00 C ATOM 683 C VAL B 84 26.068 -8.264 -2.040 1.00 0.00 C ATOM 684 O VAL B 84 26.983 -9.086 -2.092 1.00 0.00 O ATOM 685 CB VAL B 84 25.147 -7.047 -4.015 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.550 -7.034 -4.602 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.099 -7.052 -5.117 1.00 0.00 C ATOM 0 H VAL B 84 23.038 -7.490 -2.760 1.00 0.00 H new ATOM 0 HA VAL B 84 25.023 -9.175 -3.679 1.00 0.00 H new ATOM 0 HB VAL B 84 25.017 -6.139 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.663 -6.169 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.281 -6.978 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.712 -7.946 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.246 -6.187 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.194 -7.965 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.104 -7.008 -4.673 1.00 0.00 H new ATOM 697 N ILE B 85 25.979 -7.339 -1.091 1.00 0.00 N ATOM 698 CA ILE B 85 26.974 -7.235 -0.031 1.00 0.00 C ATOM 699 C ILE B 85 27.017 -8.507 0.809 1.00 0.00 C ATOM 700 O ILE B 85 28.086 -9.064 1.056 1.00 0.00 O ATOM 701 CB ILE B 85 26.690 -6.034 0.892 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.835 -4.723 0.117 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.627 -6.054 2.090 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.246 -4.455 -0.358 1.00 0.00 C ATOM 0 H ILE B 85 25.228 -6.651 -1.034 1.00 0.00 H new ATOM 0 HA ILE B 85 27.939 -7.090 -0.517 1.00 0.00 H new ATOM 0 HB ILE B 85 25.665 -6.108 1.256 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.168 -4.744 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.511 -3.898 0.751 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.414 -5.200 2.733 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.480 -6.976 2.652 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.660 -6.000 1.745 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.274 -3.509 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.915 -4.401 0.501 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.567 -5.261 -1.018 1.00 0.00 H new ATOM 716 N GLY B 86 25.847 -8.963 1.244 1.00 0.00 N ATOM 717 CA GLY B 86 25.773 -10.168 2.050 1.00 0.00 C ATOM 718 C GLY B 86 26.331 -11.381 1.332 1.00 0.00 C ATOM 719 O GLY B 86 26.998 -12.219 1.939 1.00 0.00 O ATOM 0 H GLY B 86 24.948 -8.520 1.053 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.323 -10.015 2.979 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.734 -10.356 2.322 1.00 0.00 H new ATOM 723 N THR B 87 26.056 -11.477 0.034 1.00 0.00 N ATOM 724 CA THR B 87 26.532 -12.597 -0.767 1.00 0.00 C ATOM 725 C THR B 87 28.054 -12.603 -0.853 1.00 0.00 C ATOM 726 O THR B 87 28.703 -13.578 -0.470 1.00 0.00 O ATOM 727 CB THR B 87 25.949 -12.557 -2.192 1.00 0.00 C ATOM 728 OG1 THR B 87 24.518 -12.583 -2.136 1.00 0.00 O ATOM 729 CG2 THR B 87 26.451 -13.733 -3.015 1.00 0.00 C ATOM 0 H THR B 87 25.506 -10.792 -0.484 1.00 0.00 H new ATOM 0 HA THR B 87 26.195 -13.507 -0.270 1.00 0.00 H new ATOM 0 HB THR B 87 26.277 -11.634 -2.670 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.196 -11.804 -1.637 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.026 -13.683 -4.017 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.538 -13.694 -3.080 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.149 -14.666 -2.539 1.00 0.00 H new ATOM 737 N ILE B 88 28.618 -11.511 -1.358 1.00 0.00 N ATOM 738 CA ILE B 88 30.065 -11.391 -1.492 1.00 0.00 C ATOM 739 C ILE B 88 30.763 -11.642 -0.160 1.00 0.00 C ATOM 740 O ILE B 88 31.780 -12.336 -0.100 1.00 0.00 O ATOM 741 CB ILE B 88 30.468 -10.001 -2.017 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.804 -9.729 -3.368 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.981 -9.897 -2.134 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.953 -8.299 -3.838 1.00 0.00 C ATOM 0 H ILE B 88 28.095 -10.697 -1.681 1.00 0.00 H new ATOM 0 HA ILE B 88 30.379 -12.147 -2.212 1.00 0.00 H new ATOM 0 HB ILE B 88 30.125 -9.248 -1.307 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.234 -10.395 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.744 -9.971 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.250 -8.909 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.433 -10.051 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.346 -10.657 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.458 -8.179 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.497 -7.627 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.011 -8.058 -3.941 1.00 0.00 H new ATOM 756 N LEU B 89 30.211 -11.076 0.907 1.00 0.00 N ATOM 757 CA LEU B 89 30.780 -11.239 2.240 1.00 0.00 C ATOM 758 C LEU B 89 30.839 -12.712 2.630 1.00 0.00 C ATOM 759 O LEU B 89 31.896 -13.226 3.000 1.00 0.00 O ATOM 760 CB LEU B 89 29.954 -10.461 3.267 1.00 0.00 C ATOM 761 CG LEU B 89 30.338 -8.994 3.464 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.334 -8.297 4.369 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.743 -8.883 4.038 1.00 0.00 C ATOM 0 H LEU B 89 29.370 -10.500 0.875 1.00 0.00 H new ATOM 0 HA LEU B 89 31.796 -10.845 2.225 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.906 -10.505 2.969 1.00 0.00 H new ATOM 0 HB3 LEU B 89 30.034 -10.969 4.228 1.00 0.00 H new ATOM 0 HG LEU B 89 30.324 -8.501 2.492 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.623 -7.254 4.498 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.343 -8.346 3.918 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.315 -8.791 5.340 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.999 -7.832 4.172 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.784 -9.392 5.001 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.453 -9.346 3.353 1.00 0.00 H new ATOM 775 N LEU B 90 29.699 -13.388 2.543 1.00 0.00 N ATOM 776 CA LEU B 90 29.621 -14.805 2.885 1.00 0.00 C ATOM 777 C LEU B 90 30.598 -15.622 2.045 1.00 0.00 C ATOM 778 O LEU B 90 31.392 -16.397 2.578 1.00 0.00 O ATOM 779 CB LEU B 90 28.197 -15.322 2.678 1.00 0.00 C ATOM 780 CG LEU B 90 27.755 -16.458 3.600 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.278 -16.328 3.939 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.039 -17.808 2.958 1.00 0.00 C ATOM 0 H LEU B 90 28.816 -12.979 2.239 1.00 0.00 H new ATOM 0 HA LEU B 90 29.892 -14.916 3.935 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.507 -14.488 2.806 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.101 -15.660 1.646 1.00 0.00 H new ATOM 0 HG LEU B 90 28.326 -16.391 4.526 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.982 -17.146 4.596 1.00 0.00 H new ATOM 0 HD12 LEU B 90 26.102 -15.377 4.442 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.689 -16.368 3.022 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.718 -18.605 3.629 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.495 -17.885 2.017 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.108 -17.903 2.768 1.00 0.00 H new ATOM 794 N ILE B 91 30.535 -15.440 0.730 1.00 0.00 N ATOM 795 CA ILE B 91 31.416 -16.158 -0.182 1.00 0.00 C ATOM 796 C ILE B 91 32.881 -15.920 0.167 1.00 0.00 C ATOM 797 O ILE B 91 33.621 -16.859 0.462 1.00 0.00 O ATOM 798 CB ILE B 91 31.174 -15.740 -1.644 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.992 -16.514 -2.230 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.428 -15.968 -2.475 1.00 0.00 C ATOM 801 CD1 ILE B 91 28.880 -16.763 -1.236 1.00 0.00 C ATOM 0 H ILE B 91 29.883 -14.802 0.273 1.00 0.00 H new ATOM 0 HA ILE B 91 31.187 -17.218 -0.073 1.00 0.00 H new ATOM 0 HB ILE B 91 30.935 -14.677 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.592 -15.961 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE B 91 30.348 -17.471 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.241 -15.668 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.247 -15.376 -2.068 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.696 -17.024 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.076 -17.316 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.265 -17.343 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE B 91 28.497 -15.810 -0.873 1.00 0.00 H new ATOM 813 N SER B 92 33.294 -14.657 0.133 1.00 0.00 N ATOM 814 CA SER B 92 34.672 -14.294 0.445 1.00 0.00 C ATOM 815 C SER B 92 35.065 -14.793 1.832 1.00 0.00 C ATOM 816 O SER B 92 36.239 -15.045 2.104 1.00 0.00 O ATOM 817 CB SER B 92 34.853 -12.777 0.365 1.00 0.00 C ATOM 818 OG SER B 92 36.141 -12.393 0.814 1.00 0.00 O ATOM 0 H SER B 92 32.694 -13.868 -0.107 1.00 0.00 H new ATOM 0 HA SER B 92 35.322 -14.769 -0.290 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.708 -12.444 -0.663 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.092 -12.284 0.970 1.00 0.00 H new ATOM 0 HG SER B 92 36.232 -11.419 0.752 1.00 0.00 H new ATOM 824 N TYR B 93 34.074 -14.932 2.706 1.00 0.00 N ATOM 825 CA TYR B 93 34.315 -15.398 4.066 1.00 0.00 C ATOM 826 C TYR B 93 34.581 -16.900 4.088 1.00 0.00 C ATOM 827 O TYR B 93 35.570 -17.359 4.659 1.00 0.00 O ATOM 828 CB TYR B 93 33.119 -15.067 4.960 1.00 0.00 C ATOM 829 CG TYR B 93 33.337 -15.414 6.416 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.886 -14.489 7.295 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.994 -16.665 6.911 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.088 -14.801 8.626 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.190 -16.986 8.241 1.00 0.00 C ATOM 834 CZ TYR B 93 33.738 -16.050 9.094 1.00 0.00 C ATOM 835 OH TYR B 93 33.936 -16.366 10.418 1.00 0.00 O ATOM 0 H TYR B 93 33.097 -14.729 2.497 1.00 0.00 H new ATOM 0 HA TYR B 93 35.198 -14.886 4.448 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.898 -14.003 4.878 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.243 -15.603 4.594 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.160 -13.509 6.932 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.567 -17.400 6.245 1.00 0.00 H new ATOM 0 HE1 TYR B 93 34.518 -14.071 9.296 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.916 -17.963 8.610 1.00 0.00 H new ATOM 0 HH TYR B 93 33.635 -17.284 10.584 1.00 0.00 H new