USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 318 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 81 MET CE :methyl -130:sc= -0.195 (180deg=-1.19) USER MOD Single : A 87 THR OG1 : rot 66:sc= -0.511! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 64:sc= 0.117 USER MOD Single : B 92 SER OG : rot -35:sc= 0.321 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.521 -5.032 -4.183 1.00 0.00 N ATOM 79 CA LEU A 75 10.771 -4.354 -4.510 1.00 0.00 C ATOM 80 C LEU A 75 11.944 -4.988 -3.771 1.00 0.00 C ATOM 81 O LEU A 75 13.042 -5.110 -4.316 1.00 0.00 O ATOM 82 CB LEU A 75 10.675 -2.868 -4.159 1.00 0.00 C ATOM 83 CG LEU A 75 9.516 -2.101 -4.796 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.301 -0.773 -4.087 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.774 -1.881 -6.279 1.00 0.00 C ATOM 0 HA LEU A 75 10.942 -4.458 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.594 -2.776 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.608 -2.385 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 75 8.609 -2.696 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.472 -0.241 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.070 -0.954 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.206 -0.170 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.939 -1.334 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.691 -1.307 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.877 -2.845 -6.777 1.00 0.00 H new ATOM 97 N ILE A 76 11.705 -5.393 -2.528 1.00 0.00 N ATOM 98 CA ILE A 76 12.741 -6.018 -1.715 1.00 0.00 C ATOM 99 C ILE A 76 13.148 -7.371 -2.289 1.00 0.00 C ATOM 100 O ILE A 76 14.334 -7.698 -2.352 1.00 0.00 O ATOM 101 CB ILE A 76 12.276 -6.209 -0.260 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.810 -4.877 0.329 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.397 -6.803 0.581 1.00 0.00 C ATOM 104 CD1 ILE A 76 11.080 -5.020 1.647 1.00 0.00 C ATOM 0 H ILE A 76 10.803 -5.299 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 76 13.600 -5.347 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 76 11.435 -6.902 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.675 -4.229 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.155 -4.382 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.053 -6.932 1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.686 -7.771 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.256 -6.132 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.779 -4.035 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.195 -5.641 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.739 -5.487 2.379 1.00 0.00 H new ATOM 116 N ILE A 77 12.158 -8.151 -2.708 1.00 0.00 N ATOM 117 CA ILE A 77 12.414 -9.468 -3.280 1.00 0.00 C ATOM 118 C ILE A 77 13.162 -9.356 -4.605 1.00 0.00 C ATOM 119 O ILE A 77 14.251 -9.908 -4.763 1.00 0.00 O ATOM 120 CB ILE A 77 11.105 -10.247 -3.507 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.513 -10.693 -2.169 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.352 -11.446 -4.410 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.336 -11.750 -1.467 1.00 0.00 C ATOM 0 H ILE A 77 11.172 -7.895 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 77 13.030 -10.010 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 77 10.388 -9.589 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.417 -9.826 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.507 -11.079 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.418 -11.986 -4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.733 -11.104 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.083 -12.108 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.857 -12.018 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.411 -12.634 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.335 -11.361 -1.268 1.00 0.00 H new ATOM 135 N PHE A 78 12.571 -8.636 -5.553 1.00 0.00 N ATOM 136 CA PHE A 78 13.181 -8.450 -6.864 1.00 0.00 C ATOM 137 C PHE A 78 14.536 -7.758 -6.740 1.00 0.00 C ATOM 138 O PHE A 78 15.438 -7.988 -7.543 1.00 0.00 O ATOM 139 CB PHE A 78 12.258 -7.631 -7.768 1.00 0.00 C ATOM 140 CG PHE A 78 12.895 -7.229 -9.068 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.622 -6.054 -9.165 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.765 -8.027 -10.194 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.209 -5.681 -10.359 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.351 -7.660 -11.391 1.00 0.00 C ATOM 145 CZ PHE A 78 14.072 -6.485 -11.474 1.00 0.00 C ATOM 0 H PHE A 78 11.670 -8.172 -5.437 1.00 0.00 H new ATOM 0 HA PHE A 78 13.334 -9.433 -7.309 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.359 -8.211 -7.977 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.942 -6.734 -7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.731 -5.421 -8.297 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.200 -8.945 -10.135 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.774 -4.763 -10.420 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.245 -8.292 -12.261 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.528 -6.195 -12.409 1.00 0.00 H new ATOM 155 N GLY A 79 14.669 -6.908 -5.726 1.00 0.00 N ATOM 156 CA GLY A 79 15.915 -6.194 -5.515 1.00 0.00 C ATOM 157 C GLY A 79 17.039 -7.109 -5.071 1.00 0.00 C ATOM 158 O GLY A 79 18.025 -7.286 -5.787 1.00 0.00 O ATOM 0 H GLY A 79 13.936 -6.701 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.203 -5.691 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.763 -5.419 -4.764 1.00 0.00 H new ATOM 162 N VAL A 80 16.892 -7.693 -3.886 1.00 0.00 N ATOM 163 CA VAL A 80 17.903 -8.594 -3.347 1.00 0.00 C ATOM 164 C VAL A 80 18.182 -9.745 -4.308 1.00 0.00 C ATOM 165 O VAL A 80 19.315 -10.211 -4.421 1.00 0.00 O ATOM 166 CB VAL A 80 17.473 -9.170 -1.985 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.530 -10.125 -1.451 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.207 -8.048 -0.993 1.00 0.00 C ATOM 0 H VAL A 80 16.082 -7.558 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 80 18.812 -8.007 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 80 16.548 -9.730 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.209 -10.522 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.667 -10.946 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.473 -9.592 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.904 -8.473 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.114 -7.459 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.412 -7.407 -1.373 1.00 0.00 H new ATOM 178 N MET A 81 17.140 -10.197 -4.998 1.00 0.00 N ATOM 179 CA MET A 81 17.274 -11.293 -5.951 1.00 0.00 C ATOM 180 C MET A 81 18.157 -10.887 -7.126 1.00 0.00 C ATOM 181 O MET A 81 19.067 -11.620 -7.513 1.00 0.00 O ATOM 182 CB MET A 81 15.897 -11.726 -6.459 1.00 0.00 C ATOM 183 CG MET A 81 15.145 -12.621 -5.487 1.00 0.00 C ATOM 184 SD MET A 81 15.796 -14.302 -5.445 1.00 0.00 S ATOM 185 CE MET A 81 16.775 -14.249 -3.946 1.00 0.00 C ATOM 0 H MET A 81 16.195 -9.822 -4.915 1.00 0.00 H new ATOM 0 HA MET A 81 17.745 -12.132 -5.438 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.298 -10.838 -6.661 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.017 -12.252 -7.406 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.198 -12.190 -4.487 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.092 -12.650 -5.766 1.00 0.00 H new ATOM 0 HE1 MET A 81 17.773 -14.637 -4.149 1.00 0.00 H new ATOM 0 HE2 MET A 81 16.850 -13.219 -3.597 1.00 0.00 H new ATOM 0 HE3 MET A 81 16.298 -14.859 -3.178 1.00 0.00 H new ATOM 195 N ALA A 82 17.883 -9.715 -7.689 1.00 0.00 N ATOM 196 CA ALA A 82 18.655 -9.211 -8.819 1.00 0.00 C ATOM 197 C ALA A 82 20.113 -8.990 -8.433 1.00 0.00 C ATOM 198 O ALA A 82 21.021 -9.251 -9.221 1.00 0.00 O ATOM 199 CB ALA A 82 18.043 -7.919 -9.342 1.00 0.00 C ATOM 0 H ALA A 82 17.132 -9.097 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 82 18.626 -9.960 -9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.629 -7.554 -10.185 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.019 -8.106 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.042 -7.170 -8.550 1.00 0.00 H new ATOM 205 N GLY A 83 20.331 -8.506 -7.214 1.00 0.00 N ATOM 206 CA GLY A 83 21.682 -8.257 -6.745 1.00 0.00 C ATOM 207 C GLY A 83 22.431 -9.536 -6.430 1.00 0.00 C ATOM 208 O GLY A 83 23.510 -9.781 -6.970 1.00 0.00 O ATOM 0 H GLY A 83 19.596 -8.282 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.229 -7.697 -7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.644 -7.632 -5.852 1.00 0.00 H new ATOM 212 N VAL A 84 21.859 -10.354 -5.552 1.00 0.00 N ATOM 213 CA VAL A 84 22.480 -11.615 -5.165 1.00 0.00 C ATOM 214 C VAL A 84 22.786 -12.475 -6.387 1.00 0.00 C ATOM 215 O VAL A 84 23.898 -12.981 -6.540 1.00 0.00 O ATOM 216 CB VAL A 84 21.580 -12.412 -4.203 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.196 -13.769 -3.895 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.339 -11.624 -2.924 1.00 0.00 C ATOM 0 H VAL A 84 20.967 -10.166 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 84 23.412 -11.366 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 84 20.618 -12.579 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.546 -14.318 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.312 -14.334 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.172 -13.629 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.701 -12.202 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.292 -11.425 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.851 -10.680 -3.165 1.00 0.00 H new ATOM 228 N ILE A 85 21.792 -12.635 -7.254 1.00 0.00 N ATOM 229 CA ILE A 85 21.955 -13.432 -8.464 1.00 0.00 C ATOM 230 C ILE A 85 23.015 -12.830 -9.380 1.00 0.00 C ATOM 231 O ILE A 85 23.909 -13.529 -9.856 1.00 0.00 O ATOM 232 CB ILE A 85 20.631 -13.554 -9.241 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.593 -14.307 -8.407 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.860 -14.255 -10.571 1.00 0.00 C ATOM 235 CD1 ILE A 85 18.168 -14.062 -8.850 1.00 0.00 C ATOM 0 H ILE A 85 20.865 -12.224 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 85 22.273 -14.425 -8.147 1.00 0.00 H new ATOM 0 HB ILE A 85 20.251 -12.552 -9.442 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.802 -15.375 -8.460 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.696 -14.013 -7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.915 -14.334 -11.108 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.570 -13.681 -11.167 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.260 -15.253 -10.392 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.487 -14.628 -8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.940 -12.999 -8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.048 -14.383 -9.885 1.00 0.00 H new ATOM 247 N GLY A 86 22.910 -11.527 -9.622 1.00 0.00 N ATOM 248 CA GLY A 86 23.867 -10.851 -10.479 1.00 0.00 C ATOM 249 C GLY A 86 25.289 -10.969 -9.966 1.00 0.00 C ATOM 250 O GLY A 86 26.230 -11.108 -10.748 1.00 0.00 O ATOM 0 H GLY A 86 22.179 -10.927 -9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.810 -11.271 -11.483 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.599 -9.797 -10.558 1.00 0.00 H new ATOM 254 N THR A 87 25.447 -10.913 -8.647 1.00 0.00 N ATOM 255 CA THR A 87 26.764 -11.012 -8.031 1.00 0.00 C ATOM 256 C THR A 87 27.352 -12.407 -8.210 1.00 0.00 C ATOM 257 O THR A 87 28.436 -12.566 -8.771 1.00 0.00 O ATOM 258 CB THR A 87 26.707 -10.680 -6.527 1.00 0.00 C ATOM 259 OG1 THR A 87 26.097 -9.400 -6.331 1.00 0.00 O ATOM 260 CG2 THR A 87 28.102 -10.682 -5.920 1.00 0.00 C ATOM 0 H THR A 87 24.679 -10.800 -7.985 1.00 0.00 H new ATOM 0 HA THR A 87 27.403 -10.285 -8.532 1.00 0.00 H new ATOM 0 HB THR A 87 26.111 -11.445 -6.030 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.158 -9.439 -6.608 1.00 0.00 H new ATOM 0 HG21 THR A 87 28.037 -10.445 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.552 -11.667 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.718 -9.935 -6.421 1.00 0.00 H new ATOM 268 N ILE A 88 26.630 -13.414 -7.730 1.00 0.00 N ATOM 269 CA ILE A 88 27.080 -14.796 -7.839 1.00 0.00 C ATOM 270 C ILE A 88 27.366 -15.168 -9.290 1.00 0.00 C ATOM 271 O ILE A 88 28.314 -15.899 -9.580 1.00 0.00 O ATOM 272 CB ILE A 88 26.038 -15.775 -7.266 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.761 -15.454 -5.796 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.519 -17.210 -7.419 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.622 -16.258 -5.207 1.00 0.00 C ATOM 0 H ILE A 88 25.731 -13.299 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 88 27.999 -14.875 -7.258 1.00 0.00 H new ATOM 0 HB ILE A 88 25.109 -15.663 -7.825 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.665 -15.639 -5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.533 -14.392 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.772 -17.890 -7.009 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.671 -17.432 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.459 -17.338 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.482 -15.979 -4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.707 -16.054 -5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.856 -17.321 -5.270 1.00 0.00 H new ATOM 287 N LEU A 89 26.541 -14.660 -10.199 1.00 0.00 N ATOM 288 CA LEU A 89 26.705 -14.937 -11.622 1.00 0.00 C ATOM 289 C LEU A 89 28.008 -14.341 -12.145 1.00 0.00 C ATOM 290 O LEU A 89 28.838 -15.046 -12.720 1.00 0.00 O ATOM 291 CB LEU A 89 25.521 -14.375 -12.411 1.00 0.00 C ATOM 292 CG LEU A 89 24.289 -15.276 -12.504 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.129 -14.530 -13.144 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.610 -16.540 -13.288 1.00 0.00 C ATOM 0 H LEU A 89 25.751 -14.054 -9.976 1.00 0.00 H new ATOM 0 HA LEU A 89 26.742 -16.018 -11.755 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.222 -13.431 -11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.858 -14.149 -13.423 1.00 0.00 H new ATOM 0 HG LEU A 89 23.996 -15.563 -11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.261 -15.187 -13.202 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.882 -13.655 -12.542 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.411 -14.212 -14.148 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.722 -17.169 -13.344 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.929 -16.272 -14.295 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.410 -17.086 -12.787 1.00 0.00 H new ATOM 306 N LEU A 90 28.182 -13.040 -11.941 1.00 0.00 N ATOM 307 CA LEU A 90 29.385 -12.349 -12.390 1.00 0.00 C ATOM 308 C LEU A 90 30.639 -13.038 -11.861 1.00 0.00 C ATOM 309 O LEU A 90 31.574 -13.310 -12.615 1.00 0.00 O ATOM 310 CB LEU A 90 29.360 -10.889 -11.932 1.00 0.00 C ATOM 311 CG LEU A 90 30.083 -9.890 -12.835 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.585 -8.477 -12.575 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.588 -9.973 -12.626 1.00 0.00 C ATOM 0 H LEU A 90 27.505 -12.442 -11.467 1.00 0.00 H new ATOM 0 HA LEU A 90 29.407 -12.382 -13.479 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.320 -10.576 -11.838 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.801 -10.834 -10.937 1.00 0.00 H new ATOM 0 HG LEU A 90 29.866 -10.145 -13.872 1.00 0.00 H new ATOM 0 HD11 LEU A 90 30.111 -7.780 -13.227 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.515 -8.425 -12.777 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.771 -8.211 -11.534 1.00 0.00 H new ATOM 0 HD21 LEU A 90 32.086 -9.255 -13.277 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.824 -9.745 -11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.933 -10.979 -12.864 1.00 0.00 H new ATOM 325 N ILE A 91 30.649 -13.320 -10.563 1.00 0.00 N ATOM 326 CA ILE A 91 31.786 -13.982 -9.935 1.00 0.00 C ATOM 327 C ILE A 91 31.969 -15.395 -10.478 1.00 0.00 C ATOM 328 O ILE A 91 33.037 -15.744 -10.981 1.00 0.00 O ATOM 329 CB ILE A 91 31.624 -14.049 -8.405 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.487 -12.640 -7.822 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.805 -14.774 -7.778 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.288 -12.623 -6.323 1.00 0.00 C ATOM 0 H ILE A 91 29.883 -13.101 -9.926 1.00 0.00 H new ATOM 0 HA ILE A 91 32.668 -13.387 -10.173 1.00 0.00 H new ATOM 0 HB ILE A 91 30.716 -14.607 -8.175 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.380 -12.065 -8.068 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.644 -12.139 -8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.675 -14.813 -6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.861 -15.788 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.726 -14.241 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.199 -11.592 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.379 -13.170 -6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.142 -13.095 -5.837 1.00 0.00 H new ATOM 344 N SER A 92 30.920 -16.203 -10.374 1.00 0.00 N ATOM 345 CA SER A 92 30.965 -17.580 -10.853 1.00 0.00 C ATOM 346 C SER A 92 31.373 -17.631 -12.322 1.00 0.00 C ATOM 347 O SER A 92 31.896 -18.639 -12.798 1.00 0.00 O ATOM 348 CB SER A 92 29.603 -18.252 -10.666 1.00 0.00 C ATOM 349 OG SER A 92 29.541 -19.481 -11.368 1.00 0.00 O ATOM 0 H SER A 92 30.028 -15.929 -9.962 1.00 0.00 H new ATOM 0 HA SER A 92 31.711 -18.118 -10.268 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.422 -18.426 -9.605 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.814 -17.588 -11.019 1.00 0.00 H new ATOM 0 HG SER A 92 28.662 -19.892 -11.232 1.00 0.00 H new ATOM 355 N TYR A 93 31.129 -16.537 -13.035 1.00 0.00 N ATOM 356 CA TYR A 93 31.468 -16.457 -14.451 1.00 0.00 C ATOM 357 C TYR A 93 32.979 -16.527 -14.654 1.00 0.00 C ATOM 358 O TYR A 93 33.467 -17.246 -15.525 1.00 0.00 O ATOM 359 CB TYR A 93 30.921 -15.162 -15.055 1.00 0.00 C ATOM 360 CG TYR A 93 30.973 -15.130 -16.566 1.00 0.00 C ATOM 361 CD1 TYR A 93 32.166 -14.886 -17.235 1.00 0.00 C ATOM 362 CD2 TYR A 93 29.829 -15.345 -17.324 1.00 0.00 C ATOM 363 CE1 TYR A 93 32.217 -14.855 -18.615 1.00 0.00 C ATOM 364 CE2 TYR A 93 29.871 -15.317 -18.705 1.00 0.00 C ATOM 365 CZ TYR A 93 31.068 -15.071 -19.346 1.00 0.00 C ATOM 366 OH TYR A 93 31.115 -15.043 -20.721 1.00 0.00 O ATOM 0 H TYR A 93 30.698 -15.694 -12.656 1.00 0.00 H new ATOM 0 HA TYR A 93 31.012 -17.308 -14.957 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.888 -15.028 -14.732 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.490 -14.319 -14.662 1.00 0.00 H new ATOM 0 HD1 TYR A 93 33.069 -14.718 -16.666 1.00 0.00 H new ATOM 0 HD2 TYR A 93 28.890 -15.537 -16.825 1.00 0.00 H new ATOM 0 HE1 TYR A 93 33.153 -14.662 -19.119 1.00 0.00 H new ATOM 0 HE2 TYR A 93 28.972 -15.487 -19.279 1.00 0.00 H new ATOM 0 HH TYR A 93 30.221 -15.215 -21.082 1.00 0.00 H new ATOM 547 N LEU B 75 13.746 0.880 -1.306 1.00 0.00 N ATOM 548 CA LEU B 75 13.705 -0.564 -1.098 1.00 0.00 C ATOM 549 C LEU B 75 14.633 -1.281 -2.073 1.00 0.00 C ATOM 550 O LEU B 75 15.268 -2.276 -1.722 1.00 0.00 O ATOM 551 CB LEU B 75 12.275 -1.081 -1.263 1.00 0.00 C ATOM 552 CG LEU B 75 11.173 -0.215 -0.653 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.824 -0.910 -0.762 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.491 0.109 0.800 1.00 0.00 C ATOM 0 HA LEU B 75 14.045 -0.771 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.072 -1.195 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.216 -2.075 -0.819 1.00 0.00 H new ATOM 0 HG LEU B 75 11.123 0.720 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.052 -0.278 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.591 -1.090 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.861 -1.861 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.696 0.726 1.218 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.570 -0.817 1.370 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.436 0.650 0.854 1.00 0.00 H new ATOM 566 N ILE B 76 14.708 -0.769 -3.296 1.00 0.00 N ATOM 567 CA ILE B 76 15.562 -1.359 -4.320 1.00 0.00 C ATOM 568 C ILE B 76 17.036 -1.215 -3.957 1.00 0.00 C ATOM 569 O ILE B 76 17.818 -2.152 -4.114 1.00 0.00 O ATOM 570 CB ILE B 76 15.318 -0.713 -5.697 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.848 -0.852 -6.097 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.220 -1.346 -6.746 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.417 -2.284 -6.326 1.00 0.00 C ATOM 0 H ILE B 76 14.188 0.053 -3.603 1.00 0.00 H new ATOM 0 HA ILE B 76 15.306 -2.417 -4.374 1.00 0.00 H new ATOM 0 HB ILE B 76 15.558 0.348 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.225 -0.414 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.671 -0.278 -7.007 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.036 -0.879 -7.714 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.263 -1.200 -6.465 1.00 0.00 H new ATOM 0 HG23 ILE B 76 16.008 -2.413 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.364 -2.307 -6.606 1.00 0.00 H new ATOM 0 HD12 ILE B 76 14.015 -2.720 -7.126 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.561 -2.858 -5.411 1.00 0.00 H new ATOM 585 N ILE B 77 17.407 -0.035 -3.470 1.00 0.00 N ATOM 586 CA ILE B 77 18.786 0.230 -3.082 1.00 0.00 C ATOM 587 C ILE B 77 19.195 -0.622 -1.885 1.00 0.00 C ATOM 588 O ILE B 77 20.153 -1.392 -1.956 1.00 0.00 O ATOM 589 CB ILE B 77 18.997 1.716 -2.736 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.934 2.572 -4.002 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.328 1.910 -2.025 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.090 2.337 -4.949 1.00 0.00 C ATOM 0 H ILE B 77 16.772 0.752 -3.335 1.00 0.00 H new ATOM 0 HA ILE B 77 19.410 -0.028 -3.938 1.00 0.00 H new ATOM 0 HB ILE B 77 18.199 2.034 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.000 2.366 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.915 3.624 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.463 2.965 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.337 1.326 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.139 1.578 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE B 77 19.979 2.977 -5.824 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.027 2.571 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.097 1.293 -5.262 1.00 0.00 H new ATOM 604 N PHE B 78 18.460 -0.481 -0.787 1.00 0.00 N ATOM 605 CA PHE B 78 18.744 -1.239 0.426 1.00 0.00 C ATOM 606 C PHE B 78 18.632 -2.739 0.169 1.00 0.00 C ATOM 607 O PHE B 78 19.325 -3.541 0.793 1.00 0.00 O ATOM 608 CB PHE B 78 17.786 -0.829 1.545 1.00 0.00 C ATOM 609 CG PHE B 78 17.884 -1.698 2.767 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.122 -2.850 2.877 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.738 -1.363 3.805 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.210 -3.651 4.000 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.831 -2.160 4.930 1.00 0.00 C ATOM 614 CZ PHE B 78 18.067 -3.306 5.027 1.00 0.00 C ATOM 0 H PHE B 78 17.663 0.151 -0.712 1.00 0.00 H new ATOM 0 HA PHE B 78 19.766 -1.016 0.733 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.990 0.204 1.826 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.764 -0.861 1.167 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.452 -3.125 2.076 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.338 -0.468 3.734 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.609 -4.546 4.074 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.500 -1.887 5.732 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.139 -3.932 5.904 1.00 0.00 H new ATOM 624 N GLY B 79 17.752 -3.111 -0.756 1.00 0.00 N ATOM 625 CA GLY B 79 17.564 -4.513 -1.080 1.00 0.00 C ATOM 626 C GLY B 79 18.763 -5.111 -1.789 1.00 0.00 C ATOM 627 O GLY B 79 19.429 -6.000 -1.257 1.00 0.00 O ATOM 0 H GLY B 79 17.166 -2.466 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.372 -5.072 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.682 -4.622 -1.711 1.00 0.00 H new ATOM 631 N VAL B 80 19.040 -4.623 -2.994 1.00 0.00 N ATOM 632 CA VAL B 80 20.167 -5.115 -3.777 1.00 0.00 C ATOM 633 C VAL B 80 21.474 -4.983 -3.003 1.00 0.00 C ATOM 634 O VAL B 80 22.361 -5.829 -3.114 1.00 0.00 O ATOM 635 CB VAL B 80 20.295 -4.358 -5.113 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.493 -4.865 -5.901 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.017 -4.492 -5.925 1.00 0.00 C ATOM 0 H VAL B 80 18.499 -3.887 -3.449 1.00 0.00 H new ATOM 0 HA VAL B 80 19.975 -6.168 -3.981 1.00 0.00 H new ATOM 0 HB VAL B 80 20.453 -3.301 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.567 -4.319 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.402 -4.712 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.369 -5.928 -6.108 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.125 -3.951 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.826 -5.545 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.182 -4.076 -5.361 1.00 0.00 H new ATOM 647 N MET B 81 21.585 -3.917 -2.218 1.00 0.00 N ATOM 648 CA MET B 81 22.783 -3.675 -1.424 1.00 0.00 C ATOM 649 C MET B 81 22.955 -4.752 -0.357 1.00 0.00 C ATOM 650 O MET B 81 24.040 -5.307 -0.192 1.00 0.00 O ATOM 651 CB MET B 81 22.715 -2.295 -0.766 1.00 0.00 C ATOM 652 CG MET B 81 23.043 -1.153 -1.714 1.00 0.00 C ATOM 653 SD MET B 81 24.817 -0.946 -1.964 1.00 0.00 S ATOM 654 CE MET B 81 24.876 0.728 -2.598 1.00 0.00 C ATOM 0 H MET B 81 20.860 -3.207 -2.115 1.00 0.00 H new ATOM 0 HA MET B 81 23.644 -3.709 -2.092 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.715 -2.144 -0.360 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.407 -2.268 0.075 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.563 -1.335 -2.676 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.625 -0.227 -1.319 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.911 1.004 -2.802 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.296 0.789 -3.519 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.457 1.412 -1.860 1.00 0.00 H new ATOM 664 N ALA B 82 21.877 -5.041 0.364 1.00 0.00 N ATOM 665 CA ALA B 82 21.908 -6.052 1.414 1.00 0.00 C ATOM 666 C ALA B 82 22.222 -7.429 0.839 1.00 0.00 C ATOM 667 O ALA B 82 22.945 -8.217 1.448 1.00 0.00 O ATOM 668 CB ALA B 82 20.583 -6.079 2.160 1.00 0.00 C ATOM 0 H ALA B 82 20.971 -4.589 0.240 1.00 0.00 H new ATOM 0 HA ALA B 82 22.701 -5.790 2.115 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.621 -6.838 2.941 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.399 -5.104 2.611 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.778 -6.314 1.464 1.00 0.00 H new ATOM 674 N GLY B 83 21.672 -7.714 -0.338 1.00 0.00 N ATOM 675 CA GLY B 83 21.905 -8.998 -0.974 1.00 0.00 C ATOM 676 C GLY B 83 23.307 -9.119 -1.538 1.00 0.00 C ATOM 677 O GLY B 83 24.043 -10.046 -1.197 1.00 0.00 O ATOM 0 H GLY B 83 21.070 -7.079 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.738 -9.795 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.180 -9.140 -1.776 1.00 0.00 H new ATOM 681 N VAL B 84 23.678 -8.182 -2.405 1.00 0.00 N ATOM 682 CA VAL B 84 25.001 -8.189 -3.018 1.00 0.00 C ATOM 683 C VAL B 84 26.097 -8.223 -1.959 1.00 0.00 C ATOM 684 O VAL B 84 27.022 -9.032 -2.036 1.00 0.00 O ATOM 685 CB VAL B 84 25.209 -6.956 -3.917 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.627 -6.927 -4.464 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.192 -6.944 -5.048 1.00 0.00 C ATOM 0 H VAL B 84 23.081 -7.409 -2.699 1.00 0.00 H new ATOM 0 HA VAL B 84 25.062 -9.090 -3.629 1.00 0.00 H new ATOM 0 HB VAL B 84 25.059 -6.060 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.755 -6.049 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.335 -6.884 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.809 -7.827 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.354 -6.066 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.307 -7.845 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.185 -6.913 -4.632 1.00 0.00 H new ATOM 697 N ILE B 85 25.986 -7.341 -0.972 1.00 0.00 N ATOM 698 CA ILE B 85 26.968 -7.272 0.103 1.00 0.00 C ATOM 699 C ILE B 85 26.989 -8.565 0.912 1.00 0.00 C ATOM 700 O ILE B 85 28.051 -9.124 1.181 1.00 0.00 O ATOM 701 CB ILE B 85 26.683 -6.092 1.051 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.824 -4.764 0.303 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.621 -6.134 2.247 1.00 0.00 C ATOM 704 CD1 ILE B 85 26.227 -3.587 1.043 1.00 0.00 C ATOM 0 H ILE B 85 25.227 -6.665 -0.894 1.00 0.00 H new ATOM 0 HA ILE B 85 27.940 -7.124 -0.367 1.00 0.00 H new ATOM 0 HB ILE B 85 25.659 -6.177 1.415 1.00 0.00 H new ATOM 0 HG12 ILE B 85 27.881 -4.570 0.120 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.343 -4.852 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.407 -5.294 2.907 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.477 -7.068 2.790 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.653 -6.071 1.902 1.00 0.00 H new ATOM 0 HD11 ILE B 85 26.363 -2.680 0.454 1.00 0.00 H new ATOM 0 HD12 ILE B 85 25.163 -3.759 1.203 1.00 0.00 H new ATOM 0 HD13 ILE B 85 26.724 -3.473 2.006 1.00 0.00 H new ATOM 716 N GLY B 86 25.806 -9.035 1.298 1.00 0.00 N ATOM 717 CA GLY B 86 25.711 -10.259 2.071 1.00 0.00 C ATOM 718 C GLY B 86 26.296 -11.452 1.341 1.00 0.00 C ATOM 719 O GLY B 86 26.937 -12.310 1.951 1.00 0.00 O ATOM 0 H GLY B 86 24.912 -8.590 1.089 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.231 -10.127 3.020 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.665 -10.457 2.305 1.00 0.00 H new ATOM 723 N THR B 87 26.074 -11.511 0.032 1.00 0.00 N ATOM 724 CA THR B 87 26.581 -12.609 -0.781 1.00 0.00 C ATOM 725 C THR B 87 28.103 -12.577 -0.860 1.00 0.00 C ATOM 726 O THR B 87 28.775 -13.534 -0.473 1.00 0.00 O ATOM 727 CB THR B 87 26.003 -12.565 -2.208 1.00 0.00 C ATOM 728 OG1 THR B 87 24.574 -12.499 -2.156 1.00 0.00 O ATOM 729 CG2 THR B 87 26.431 -13.790 -3.003 1.00 0.00 C ATOM 0 H THR B 87 25.546 -10.810 -0.488 1.00 0.00 H new ATOM 0 HA THR B 87 26.264 -13.533 -0.297 1.00 0.00 H new ATOM 0 HB THR B 87 26.389 -11.675 -2.706 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.301 -11.664 -1.722 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.011 -13.737 -4.007 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.519 -13.821 -3.066 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.070 -14.691 -2.506 1.00 0.00 H new ATOM 737 N ILE B 88 28.642 -11.471 -1.363 1.00 0.00 N ATOM 738 CA ILE B 88 30.086 -11.315 -1.491 1.00 0.00 C ATOM 739 C ILE B 88 30.784 -11.555 -0.157 1.00 0.00 C ATOM 740 O ILE B 88 31.870 -12.135 -0.108 1.00 0.00 O ATOM 741 CB ILE B 88 30.457 -9.912 -2.007 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.798 -9.653 -3.363 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.968 -9.768 -2.110 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.923 -8.221 -3.833 1.00 0.00 C ATOM 0 H ILE B 88 28.101 -10.670 -1.688 1.00 0.00 H new ATOM 0 HA ILE B 88 30.422 -12.059 -2.213 1.00 0.00 H new ATOM 0 HB ILE B 88 30.089 -9.171 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.246 -10.311 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.742 -9.915 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.214 -8.771 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.415 -9.914 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.358 -10.515 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.433 -8.112 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.449 -7.558 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE B 88 30.977 -7.960 -3.929 1.00 0.00 H new ATOM 756 N LEU B 89 30.155 -11.106 0.924 1.00 0.00 N ATOM 757 CA LEU B 89 30.715 -11.273 2.260 1.00 0.00 C ATOM 758 C LEU B 89 30.790 -12.749 2.638 1.00 0.00 C ATOM 759 O LEU B 89 31.860 -13.262 2.970 1.00 0.00 O ATOM 760 CB LEU B 89 29.872 -10.514 3.286 1.00 0.00 C ATOM 761 CG LEU B 89 30.147 -9.015 3.403 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.146 -8.360 4.343 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.570 -8.769 3.883 1.00 0.00 C ATOM 0 H LEU B 89 29.257 -10.623 0.901 1.00 0.00 H new ATOM 0 HA LEU B 89 31.726 -10.866 2.257 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.820 -10.652 3.036 1.00 0.00 H new ATOM 0 HB3 LEU B 89 30.029 -10.969 4.264 1.00 0.00 H new ATOM 0 HG LEU B 89 30.035 -8.567 2.416 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.358 -7.293 4.414 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.137 -8.505 3.958 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.226 -8.812 5.332 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.748 -7.696 3.960 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.709 -9.231 4.860 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.274 -9.203 3.173 1.00 0.00 H new ATOM 775 N LEU B 90 29.649 -13.427 2.585 1.00 0.00 N ATOM 776 CA LEU B 90 29.585 -14.845 2.919 1.00 0.00 C ATOM 777 C LEU B 90 30.576 -15.647 2.082 1.00 0.00 C ATOM 778 O LEU B 90 31.353 -16.441 2.614 1.00 0.00 O ATOM 779 CB LEU B 90 28.168 -15.378 2.701 1.00 0.00 C ATOM 780 CG LEU B 90 27.732 -16.522 3.618 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.229 -16.482 3.843 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.151 -17.863 3.032 1.00 0.00 C ATOM 0 H LEU B 90 28.755 -13.017 2.314 1.00 0.00 H new ATOM 0 HA LEU B 90 29.851 -14.957 3.970 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.468 -14.552 2.826 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.083 -15.715 1.668 1.00 0.00 H new ATOM 0 HG LEU B 90 28.226 -16.399 4.582 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.937 -17.303 4.498 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.956 -15.534 4.306 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.715 -16.580 2.887 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.833 -18.666 3.697 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.685 -17.995 2.055 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.235 -17.890 2.923 1.00 0.00 H new ATOM 794 N ILE B 91 30.545 -15.433 0.771 1.00 0.00 N ATOM 795 CA ILE B 91 31.443 -16.134 -0.139 1.00 0.00 C ATOM 796 C ILE B 91 32.902 -15.836 0.192 1.00 0.00 C ATOM 797 O ILE B 91 33.703 -16.750 0.389 1.00 0.00 O ATOM 798 CB ILE B 91 31.171 -15.749 -1.605 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.738 -16.117 -1.995 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.169 -16.435 -2.526 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.363 -15.686 -3.395 1.00 0.00 C ATOM 0 H ILE B 91 29.908 -14.780 0.315 1.00 0.00 H new ATOM 0 HA ILE B 91 31.254 -17.200 -0.011 1.00 0.00 H new ATOM 0 HB ILE B 91 31.290 -14.671 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.613 -17.196 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.048 -15.659 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE B 91 31.964 -16.153 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.180 -16.128 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.078 -17.516 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.334 -15.980 -3.603 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.455 -14.603 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.029 -16.164 -4.113 1.00 0.00 H new ATOM 813 N SER B 92 33.239 -14.552 0.252 1.00 0.00 N ATOM 814 CA SER B 92 34.603 -14.134 0.557 1.00 0.00 C ATOM 815 C SER B 92 34.996 -14.552 1.970 1.00 0.00 C ATOM 816 O SER B 92 36.176 -14.552 2.324 1.00 0.00 O ATOM 817 CB SER B 92 34.739 -12.618 0.404 1.00 0.00 C ATOM 818 OG SER B 92 34.201 -11.942 1.528 1.00 0.00 O ATOM 0 H SER B 92 32.587 -13.783 0.094 1.00 0.00 H new ATOM 0 HA SER B 92 35.274 -14.625 -0.147 1.00 0.00 H new ATOM 0 HB2 SER B 92 35.790 -12.354 0.286 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.225 -12.293 -0.500 1.00 0.00 H new ATOM 0 HG SER B 92 33.419 -12.431 1.860 1.00 0.00 H new ATOM 824 N TYR B 93 34.000 -14.908 2.773 1.00 0.00 N ATOM 825 CA TYR B 93 34.241 -15.327 4.149 1.00 0.00 C ATOM 826 C TYR B 93 35.075 -16.603 4.193 1.00 0.00 C ATOM 827 O TYR B 93 35.679 -16.929 5.213 1.00 0.00 O ATOM 828 CB TYR B 93 32.913 -15.547 4.877 1.00 0.00 C ATOM 829 CG TYR B 93 32.912 -15.040 6.301 1.00 0.00 C ATOM 830 CD1 TYR B 93 32.990 -13.680 6.576 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.833 -15.921 7.373 1.00 0.00 C ATOM 832 CE1 TYR B 93 32.990 -13.213 7.876 1.00 0.00 C ATOM 833 CE2 TYR B 93 32.831 -15.463 8.676 1.00 0.00 C ATOM 834 CZ TYR B 93 32.910 -14.108 8.923 1.00 0.00 C ATOM 835 OH TYR B 93 32.909 -13.647 10.219 1.00 0.00 O ATOM 0 H TYR B 93 33.019 -14.915 2.495 1.00 0.00 H new ATOM 0 HA TYR B 93 34.797 -14.535 4.651 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.118 -15.049 4.322 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.682 -16.612 4.879 1.00 0.00 H new ATOM 0 HD1 TYR B 93 33.052 -12.976 5.759 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.772 -16.983 7.184 1.00 0.00 H new ATOM 0 HE1 TYR B 93 33.052 -12.153 8.072 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.768 -16.162 9.497 1.00 0.00 H new ATOM 0 HH TYR B 93 32.846 -14.406 10.836 1.00 0.00 H new