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 53:sc= -1.31! 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 56:sc= -0.245 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 9.393 -5.096 -4.251 1.00 0.00 N ATOM 79 CA LEU A 75 10.626 -4.418 -4.633 1.00 0.00 C ATOM 80 C LEU A 75 11.823 -5.007 -3.894 1.00 0.00 C ATOM 81 O LEU A 75 12.914 -5.122 -4.453 1.00 0.00 O ATOM 82 CB LEU A 75 10.519 -2.920 -4.342 1.00 0.00 C ATOM 83 CG LEU A 75 9.388 -2.177 -5.054 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.022 -0.910 -4.297 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.784 -1.849 -6.486 1.00 0.00 C ATOM 0 HA LEU A 75 10.775 -4.564 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.394 -2.787 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.464 -2.449 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 75 8.513 -2.826 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.216 -0.395 -4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.695 -1.169 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.892 -0.257 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.967 -1.320 -6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.674 -1.219 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.995 -2.772 -7.026 1.00 0.00 H new ATOM 97 N ILE A 76 11.611 -5.380 -2.637 1.00 0.00 N ATOM 98 CA ILE A 76 12.672 -5.960 -1.823 1.00 0.00 C ATOM 99 C ILE A 76 13.104 -7.317 -2.369 1.00 0.00 C ATOM 100 O ILE A 76 14.295 -7.625 -2.423 1.00 0.00 O ATOM 101 CB ILE A 76 12.230 -6.126 -0.357 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.774 -4.783 0.216 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.365 -6.705 0.475 1.00 0.00 C ATOM 104 CD1 ILE A 76 10.994 -4.910 1.506 1.00 0.00 C ATOM 0 H ILE A 76 10.714 -5.291 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 76 13.514 -5.270 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 76 11.389 -6.819 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.648 -4.156 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.157 -4.272 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.038 -6.817 1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.648 -7.679 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.223 -6.034 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.703 -3.919 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.101 -5.511 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.615 -5.392 2.261 1.00 0.00 H new ATOM 116 N ILE A 77 12.129 -8.123 -2.775 1.00 0.00 N ATOM 117 CA ILE A 77 12.408 -9.445 -3.320 1.00 0.00 C ATOM 118 C ILE A 77 13.156 -9.347 -4.645 1.00 0.00 C ATOM 119 O ILE A 77 14.248 -9.895 -4.797 1.00 0.00 O ATOM 120 CB ILE A 77 11.114 -10.252 -3.532 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.505 -10.646 -2.185 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.392 -11.487 -4.375 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.346 -11.635 -1.408 1.00 0.00 C ATOM 0 H ILE A 77 11.138 -7.883 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 77 13.032 -9.961 -2.591 1.00 0.00 H new ATOM 0 HB ILE A 77 10.397 -9.627 -4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.364 -9.749 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.517 -11.075 -2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.468 -12.047 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.784 -11.184 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.124 -12.116 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.853 -11.869 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.465 -12.548 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.326 -11.201 -1.208 1.00 0.00 H new ATOM 135 N PHE A 78 12.561 -8.643 -5.603 1.00 0.00 N ATOM 136 CA PHE A 78 13.171 -8.471 -6.916 1.00 0.00 C ATOM 137 C PHE A 78 14.525 -7.776 -6.800 1.00 0.00 C ATOM 138 O PHE A 78 15.430 -8.019 -7.598 1.00 0.00 O ATOM 139 CB PHE A 78 12.247 -7.663 -7.829 1.00 0.00 C ATOM 140 CG PHE A 78 12.892 -7.253 -9.123 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.602 -6.066 -9.212 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.787 -8.053 -10.249 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.196 -5.686 -10.401 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.379 -7.678 -11.440 1.00 0.00 C ATOM 145 CZ PHE A 78 14.084 -6.492 -11.516 1.00 0.00 C ATOM 0 H PHE A 78 11.657 -8.183 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 78 13.325 -9.459 -7.350 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.357 -8.254 -8.047 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.915 -6.770 -7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.692 -5.431 -8.343 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.236 -8.980 -10.195 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.747 -4.759 -10.458 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.291 -8.311 -12.310 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.547 -6.196 -12.446 1.00 0.00 H new ATOM 155 N GLY A 79 14.656 -6.910 -5.800 1.00 0.00 N ATOM 156 CA GLY A 79 15.901 -6.193 -5.598 1.00 0.00 C ATOM 157 C GLY A 79 17.026 -7.101 -5.142 1.00 0.00 C ATOM 158 O GLY A 79 18.015 -7.280 -5.852 1.00 0.00 O ATOM 0 H GLY A 79 13.922 -6.692 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.189 -5.702 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.749 -5.408 -4.857 1.00 0.00 H new ATOM 162 N VAL A 80 16.876 -7.674 -3.952 1.00 0.00 N ATOM 163 CA VAL A 80 17.887 -8.568 -3.402 1.00 0.00 C ATOM 164 C VAL A 80 18.167 -9.730 -4.348 1.00 0.00 C ATOM 165 O VAL A 80 19.302 -10.195 -4.458 1.00 0.00 O ATOM 166 CB VAL A 80 17.456 -9.128 -2.033 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.512 -10.079 -1.489 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.192 -7.994 -1.054 1.00 0.00 C ATOM 0 H VAL A 80 16.064 -7.535 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 80 18.795 -7.979 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 80 16.530 -9.688 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.191 -10.465 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.647 -10.908 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.456 -9.546 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.889 -8.407 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.100 -7.405 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.398 -7.356 -1.442 1.00 0.00 H new ATOM 178 N MET A 81 17.126 -10.195 -5.031 1.00 0.00 N ATOM 179 CA MET A 81 17.261 -11.302 -5.970 1.00 0.00 C ATOM 180 C MET A 81 18.142 -10.909 -7.151 1.00 0.00 C ATOM 181 O MET A 81 19.048 -11.649 -7.535 1.00 0.00 O ATOM 182 CB MET A 81 15.885 -11.744 -6.471 1.00 0.00 C ATOM 183 CG MET A 81 15.162 -12.679 -5.515 1.00 0.00 C ATOM 184 SD MET A 81 13.640 -13.347 -6.215 1.00 0.00 S ATOM 185 CE MET A 81 13.992 -15.103 -6.177 1.00 0.00 C ATOM 0 H MET A 81 16.180 -9.822 -4.952 1.00 0.00 H new ATOM 0 HA MET A 81 17.734 -12.133 -5.447 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.268 -10.861 -6.639 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.000 -12.241 -7.434 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.825 -13.501 -5.246 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.930 -12.143 -4.595 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.142 -15.653 -6.580 1.00 0.00 H new ATOM 0 HE2 MET A 81 14.876 -15.310 -6.780 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.173 -15.416 -5.149 1.00 0.00 H new ATOM 195 N ALA A 82 17.871 -9.740 -7.723 1.00 0.00 N ATOM 196 CA ALA A 82 18.641 -9.249 -8.859 1.00 0.00 C ATOM 197 C ALA A 82 20.101 -9.026 -8.478 1.00 0.00 C ATOM 198 O ALA A 82 21.007 -9.299 -9.264 1.00 0.00 O ATOM 199 CB ALA A 82 18.031 -7.961 -9.393 1.00 0.00 C ATOM 0 H ALA A 82 17.124 -9.116 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 82 18.609 -10.006 -9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.616 -7.606 -10.241 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.006 -8.149 -9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.033 -7.205 -8.608 1.00 0.00 H new ATOM 205 N GLY A 83 20.322 -8.528 -7.265 1.00 0.00 N ATOM 206 CA GLY A 83 21.674 -8.277 -6.801 1.00 0.00 C ATOM 207 C GLY A 83 22.421 -9.554 -6.471 1.00 0.00 C ATOM 208 O GLY A 83 23.500 -9.807 -7.006 1.00 0.00 O ATOM 0 H GLY A 83 19.589 -8.294 -6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.221 -7.727 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.639 -7.641 -5.916 1.00 0.00 H new ATOM 212 N VAL A 84 21.846 -10.361 -5.584 1.00 0.00 N ATOM 213 CA VAL A 84 22.465 -11.619 -5.183 1.00 0.00 C ATOM 214 C VAL A 84 22.770 -12.493 -6.394 1.00 0.00 C ATOM 215 O VAL A 84 23.879 -13.009 -6.536 1.00 0.00 O ATOM 216 CB VAL A 84 21.562 -12.403 -4.212 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.176 -13.756 -3.887 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.321 -11.600 -2.943 1.00 0.00 C ATOM 0 H VAL A 84 20.954 -10.166 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 84 23.397 -11.366 -4.678 1.00 0.00 H new ATOM 0 HB VAL A 84 20.600 -12.573 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.524 -14.296 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.293 -14.332 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.152 -13.611 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.681 -12.169 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.274 -11.397 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.835 -10.658 -3.196 1.00 0.00 H new ATOM 228 N ILE A 85 21.779 -12.653 -7.265 1.00 0.00 N ATOM 229 CA ILE A 85 21.943 -13.464 -8.466 1.00 0.00 C ATOM 230 C ILE A 85 22.999 -12.869 -9.391 1.00 0.00 C ATOM 231 O ILE A 85 23.887 -13.573 -9.869 1.00 0.00 O ATOM 232 CB ILE A 85 20.617 -13.599 -9.238 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.583 -14.345 -8.393 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.846 -14.315 -10.561 1.00 0.00 C ATOM 235 CD1 ILE A 85 18.159 -14.143 -8.864 1.00 0.00 C ATOM 0 H ILE A 85 20.855 -12.233 -7.162 1.00 0.00 H new ATOM 0 HA ILE A 85 22.266 -14.452 -8.139 1.00 0.00 H new ATOM 0 HB ILE A 85 20.233 -12.601 -9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.814 -15.410 -8.407 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.665 -14.015 -7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.900 -14.403 -11.096 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.553 -13.746 -11.165 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.250 -15.310 -10.371 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.480 -14.701 -8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.909 -13.083 -8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.061 -14.500 -9.889 1.00 0.00 H new ATOM 247 N GLY A 86 22.897 -11.567 -9.637 1.00 0.00 N ATOM 248 CA GLY A 86 23.852 -10.899 -10.502 1.00 0.00 C ATOM 249 C GLY A 86 25.272 -10.994 -9.982 1.00 0.00 C ATOM 250 O GLY A 86 26.218 -11.136 -10.758 1.00 0.00 O ATOM 0 H GLY A 86 22.170 -10.963 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.803 -11.338 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.575 -9.850 -10.602 1.00 0.00 H new ATOM 254 N THR A 87 25.425 -10.915 -8.664 1.00 0.00 N ATOM 255 CA THR A 87 26.740 -10.990 -8.041 1.00 0.00 C ATOM 256 C THR A 87 27.340 -12.384 -8.189 1.00 0.00 C ATOM 257 O THR A 87 28.417 -12.548 -8.762 1.00 0.00 O ATOM 258 CB THR A 87 26.675 -10.628 -6.545 1.00 0.00 C ATOM 259 OG1 THR A 87 26.071 -9.341 -6.378 1.00 0.00 O ATOM 260 CG2 THR A 87 28.065 -10.626 -5.927 1.00 0.00 C ATOM 0 H THR A 87 24.653 -10.799 -8.007 1.00 0.00 H new ATOM 0 HA THR A 87 27.374 -10.268 -8.555 1.00 0.00 H new ATOM 0 HB THR A 87 26.071 -11.381 -6.038 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.211 -9.320 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.993 -10.368 -4.871 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.510 -11.616 -6.029 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.689 -9.893 -6.438 1.00 0.00 H new ATOM 268 N ILE A 88 26.635 -13.384 -7.671 1.00 0.00 N ATOM 269 CA ILE A 88 27.098 -14.764 -7.748 1.00 0.00 C ATOM 270 C ILE A 88 27.383 -15.169 -9.190 1.00 0.00 C ATOM 271 O ILE A 88 28.339 -15.894 -9.466 1.00 0.00 O ATOM 272 CB ILE A 88 26.068 -15.738 -7.147 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.774 -15.370 -5.691 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.572 -17.170 -7.246 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.611 -16.133 -5.098 1.00 0.00 C ATOM 0 H ILE A 88 25.742 -13.265 -7.194 1.00 0.00 H new ATOM 0 HA ILE A 88 28.020 -14.820 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 88 25.141 -15.660 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.664 -15.557 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.566 -14.302 -5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.833 -17.846 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.735 -17.427 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.510 -17.264 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.460 -15.821 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.709 -15.927 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.824 -17.202 -5.127 1.00 0.00 H new ATOM 287 N LEU A 89 26.548 -14.693 -10.108 1.00 0.00 N ATOM 288 CA LEU A 89 26.710 -15.004 -11.524 1.00 0.00 C ATOM 289 C LEU A 89 28.005 -14.408 -12.067 1.00 0.00 C ATOM 290 O LEU A 89 28.846 -15.120 -12.617 1.00 0.00 O ATOM 291 CB LEU A 89 25.518 -14.474 -12.322 1.00 0.00 C ATOM 292 CG LEU A 89 24.260 -15.343 -12.305 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.126 -14.656 -13.049 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.547 -16.709 -12.911 1.00 0.00 C ATOM 0 H LEU A 89 25.752 -14.091 -9.897 1.00 0.00 H new ATOM 0 HA LEU A 89 26.757 -16.088 -11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.259 -13.487 -11.938 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.830 -14.341 -13.358 1.00 0.00 H new ATOM 0 HG LEU A 89 23.954 -15.484 -11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.239 -15.290 -13.026 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.903 -13.702 -12.571 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.422 -14.483 -14.084 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.640 -17.314 -12.891 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.879 -16.587 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.328 -17.206 -12.335 1.00 0.00 H new ATOM 306 N LEU A 90 28.160 -13.098 -11.907 1.00 0.00 N ATOM 307 CA LEU A 90 29.354 -12.405 -12.380 1.00 0.00 C ATOM 308 C LEU A 90 30.617 -13.066 -11.837 1.00 0.00 C ATOM 309 O LEU A 90 31.550 -13.354 -12.588 1.00 0.00 O ATOM 310 CB LEU A 90 29.314 -10.935 -11.961 1.00 0.00 C ATOM 311 CG LEU A 90 30.014 -9.950 -12.898 1.00 0.00 C ATOM 312 CD1 LEU A 90 31.509 -10.224 -12.939 1.00 0.00 C ATOM 313 CD2 LEU A 90 29.417 -10.029 -14.296 1.00 0.00 C ATOM 0 H LEU A 90 27.474 -12.494 -11.454 1.00 0.00 H new ATOM 0 HA LEU A 90 29.373 -12.466 -13.468 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.271 -10.634 -11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.764 -10.847 -10.972 1.00 0.00 H new ATOM 0 HG LEU A 90 29.861 -8.941 -12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 90 31.991 -9.514 -13.611 1.00 0.00 H new ATOM 0 HD12 LEU A 90 31.926 -10.117 -11.938 1.00 0.00 H new ATOM 0 HD13 LEU A 90 31.683 -11.238 -13.298 1.00 0.00 H new ATOM 0 HD21 LEU A 90 29.927 -9.321 -14.950 1.00 0.00 H new ATOM 0 HD22 LEU A 90 29.540 -11.039 -14.688 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.356 -9.783 -14.253 1.00 0.00 H new ATOM 325 N ILE A 91 30.639 -13.305 -10.530 1.00 0.00 N ATOM 326 CA ILE A 91 31.786 -13.935 -9.889 1.00 0.00 C ATOM 327 C ILE A 91 31.987 -15.359 -10.396 1.00 0.00 C ATOM 328 O ILE A 91 33.059 -15.708 -10.889 1.00 0.00 O ATOM 329 CB ILE A 91 31.627 -13.966 -8.357 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.468 -12.546 -7.810 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.822 -14.655 -7.715 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.273 -12.494 -6.311 1.00 0.00 C ATOM 0 H ILE A 91 29.876 -13.072 -9.895 1.00 0.00 H new ATOM 0 HA ILE A 91 32.659 -13.335 -10.145 1.00 0.00 H new ATOM 0 HB ILE A 91 30.729 -14.533 -8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.350 -11.963 -8.074 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.615 -12.072 -8.296 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.695 -14.669 -6.632 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.895 -15.678 -8.085 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.733 -14.112 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.167 -11.457 -5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.375 -13.049 -6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.136 -12.939 -5.816 1.00 0.00 H new ATOM 344 N SER A 92 30.946 -16.177 -10.274 1.00 0.00 N ATOM 345 CA SER A 92 31.008 -17.564 -10.719 1.00 0.00 C ATOM 346 C SER A 92 31.470 -17.649 -12.171 1.00 0.00 C ATOM 347 O SER A 92 32.054 -18.648 -12.591 1.00 0.00 O ATOM 348 CB SER A 92 29.640 -18.233 -10.567 1.00 0.00 C ATOM 349 OG SER A 92 29.719 -19.622 -10.833 1.00 0.00 O ATOM 0 H SER A 92 30.050 -15.903 -9.871 1.00 0.00 H new ATOM 0 HA SER A 92 31.732 -18.088 -10.094 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.264 -18.074 -9.556 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.927 -17.769 -11.249 1.00 0.00 H new ATOM 0 HG SER A 92 28.832 -20.026 -10.728 1.00 0.00 H new ATOM 355 N TYR A 93 31.203 -16.594 -12.932 1.00 0.00 N ATOM 356 CA TYR A 93 31.587 -16.549 -14.338 1.00 0.00 C ATOM 357 C TYR A 93 33.106 -16.562 -14.488 1.00 0.00 C ATOM 358 O TYR A 93 33.641 -17.107 -15.452 1.00 0.00 O ATOM 359 CB TYR A 93 31.009 -15.301 -15.007 1.00 0.00 C ATOM 360 CG TYR A 93 30.802 -15.454 -16.497 1.00 0.00 C ATOM 361 CD1 TYR A 93 29.632 -16.007 -17.003 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.776 -15.045 -17.399 1.00 0.00 C ATOM 363 CE1 TYR A 93 29.439 -16.150 -18.363 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.591 -15.182 -18.761 1.00 0.00 C ATOM 365 CZ TYR A 93 30.421 -15.735 -19.238 1.00 0.00 C ATOM 366 OH TYR A 93 30.234 -15.874 -20.595 1.00 0.00 O ATOM 0 H TYR A 93 30.722 -15.758 -12.599 1.00 0.00 H new ATOM 0 HA TYR A 93 31.183 -17.435 -14.827 1.00 0.00 H new ATOM 0 HB2 TYR A 93 30.055 -15.057 -14.539 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.677 -14.459 -14.826 1.00 0.00 H new ATOM 0 HD1 TYR A 93 28.860 -16.331 -16.321 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.694 -14.612 -17.029 1.00 0.00 H new ATOM 0 HE1 TYR A 93 28.524 -16.584 -18.739 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.358 -14.858 -19.449 1.00 0.00 H new ATOM 0 HH TYR A 93 31.020 -15.532 -21.070 1.00 0.00 H new ATOM 547 N LEU B 75 13.780 0.829 -1.246 1.00 0.00 N ATOM 548 CA LEU B 75 13.736 -0.618 -1.068 1.00 0.00 C ATOM 549 C LEU B 75 14.666 -1.316 -2.055 1.00 0.00 C ATOM 550 O LEU B 75 15.297 -2.321 -1.724 1.00 0.00 O ATOM 551 CB LEU B 75 12.305 -1.130 -1.248 1.00 0.00 C ATOM 552 CG LEU B 75 11.295 -0.684 -0.191 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.901 -0.586 -0.793 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.301 -1.641 0.991 1.00 0.00 C ATOM 0 HA LEU B 75 14.073 -0.846 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.945 -0.807 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.329 -2.220 -1.262 1.00 0.00 H new ATOM 0 HG LEU B 75 11.585 0.304 0.167 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.195 -0.267 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.906 0.140 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.602 -1.561 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.576 -1.307 1.733 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.037 -2.642 0.650 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.295 -1.661 1.438 1.00 0.00 H new ATOM 566 N ILE B 76 14.747 -0.777 -3.266 1.00 0.00 N ATOM 567 CA ILE B 76 15.603 -1.346 -4.300 1.00 0.00 C ATOM 568 C ILE B 76 17.077 -1.200 -3.936 1.00 0.00 C ATOM 569 O ILE B 76 17.863 -2.133 -4.102 1.00 0.00 O ATOM 570 CB ILE B 76 15.355 -0.681 -5.666 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.879 -0.795 -6.053 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.238 -1.313 -6.732 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.429 -2.218 -6.303 1.00 0.00 C ATOM 0 H ILE B 76 14.230 0.053 -3.556 1.00 0.00 H new ATOM 0 HA ILE B 76 15.352 -2.404 -4.370 1.00 0.00 H new ATOM 0 HB ILE B 76 15.611 0.376 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.269 -0.364 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.700 -0.203 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.051 -0.832 -7.692 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.286 -1.184 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE B 76 16.011 -2.376 -6.809 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.373 -2.224 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE B 76 14.014 -2.647 -7.117 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.576 -2.810 -5.400 1.00 0.00 H new ATOM 585 N ILE B 77 17.443 -0.024 -3.437 1.00 0.00 N ATOM 586 CA ILE B 77 18.822 0.244 -3.047 1.00 0.00 C ATOM 587 C ILE B 77 19.234 -0.620 -1.859 1.00 0.00 C ATOM 588 O ILE B 77 20.196 -1.383 -1.938 1.00 0.00 O ATOM 589 CB ILE B 77 19.027 1.726 -2.685 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.933 2.598 -3.939 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.369 1.923 -1.996 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.071 2.382 -4.911 1.00 0.00 C ATOM 0 H ILE B 77 16.804 0.758 -3.293 1.00 0.00 H new ATOM 0 HA ILE B 77 19.447 -0.001 -3.906 1.00 0.00 H new ATOM 0 HB ILE B 77 18.239 2.028 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE B 77 17.990 2.392 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.913 3.647 -3.642 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.499 2.976 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.400 1.327 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.171 1.607 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE B 77 19.939 3.032 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.017 2.616 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.078 1.342 -5.237 1.00 0.00 H new ATOM 604 N PHE B 78 18.498 -0.494 -0.760 1.00 0.00 N ATOM 605 CA PHE B 78 18.786 -1.264 0.445 1.00 0.00 C ATOM 606 C PHE B 78 18.665 -2.761 0.176 1.00 0.00 C ATOM 607 O PHE B 78 19.358 -3.571 0.789 1.00 0.00 O ATOM 608 CB PHE B 78 17.836 -0.859 1.574 1.00 0.00 C ATOM 609 CG PHE B 78 17.934 -1.742 2.785 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.166 -2.891 2.885 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.792 -1.421 3.824 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.254 -3.705 3.998 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.885 -2.232 4.940 1.00 0.00 C ATOM 614 CZ PHE B 78 18.114 -3.375 5.027 1.00 0.00 C ATOM 0 H PHE B 78 17.698 0.134 -0.679 1.00 0.00 H new ATOM 0 HA PHE B 78 19.811 -1.049 0.747 1.00 0.00 H new ATOM 0 HB2 PHE B 78 18.049 0.169 1.866 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.812 -0.879 1.201 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.491 -3.153 2.084 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.395 -0.527 3.762 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.651 -4.598 4.063 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.559 -1.972 5.743 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.184 -4.009 5.898 1.00 0.00 H new ATOM 624 N GLY B 79 17.778 -3.121 -0.747 1.00 0.00 N ATOM 625 CA GLY B 79 17.581 -4.519 -1.081 1.00 0.00 C ATOM 626 C GLY B 79 18.774 -5.117 -1.799 1.00 0.00 C ATOM 627 O GLY B 79 19.433 -6.019 -1.280 1.00 0.00 O ATOM 0 H GLY B 79 17.193 -2.469 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.389 -5.084 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.696 -4.618 -1.709 1.00 0.00 H new ATOM 631 N VAL B 80 19.054 -4.616 -2.998 1.00 0.00 N ATOM 632 CA VAL B 80 20.176 -5.107 -3.790 1.00 0.00 C ATOM 633 C VAL B 80 21.486 -4.983 -3.021 1.00 0.00 C ATOM 634 O VAL B 80 22.368 -5.834 -3.136 1.00 0.00 O ATOM 635 CB VAL B 80 20.300 -4.342 -5.121 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.498 -4.843 -5.914 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.020 -4.474 -5.932 1.00 0.00 C ATOM 0 H VAL B 80 18.519 -3.870 -3.443 1.00 0.00 H new ATOM 0 HA VAL B 80 19.980 -6.158 -4.001 1.00 0.00 H new ATOM 0 HB VAL B 80 20.456 -3.286 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.570 -4.291 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.408 -4.692 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.375 -5.905 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.125 -3.927 -6.869 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.831 -5.526 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.185 -4.063 -5.364 1.00 0.00 H new ATOM 647 N MET B 81 21.607 -3.918 -2.235 1.00 0.00 N ATOM 648 CA MET B 81 22.810 -3.684 -1.445 1.00 0.00 C ATOM 649 C MET B 81 22.979 -4.763 -0.379 1.00 0.00 C ATOM 650 O MET B 81 24.065 -5.316 -0.209 1.00 0.00 O ATOM 651 CB MET B 81 22.753 -2.305 -0.786 1.00 0.00 C ATOM 652 CG MET B 81 23.091 -1.165 -1.733 1.00 0.00 C ATOM 653 SD MET B 81 24.778 -0.564 -1.524 1.00 0.00 S ATOM 654 CE MET B 81 24.496 0.899 -0.531 1.00 0.00 C ATOM 0 H MET B 81 20.887 -3.204 -2.128 1.00 0.00 H new ATOM 0 HA MET B 81 23.668 -3.723 -2.116 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.754 -2.146 -0.381 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.445 -2.285 0.056 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.954 -1.499 -2.761 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.394 -0.343 -1.569 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.449 1.383 -0.318 1.00 0.00 H new ATOM 0 HE2 MET B 81 23.852 1.590 -1.075 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.015 0.616 0.405 1.00 0.00 H new ATOM 664 N ALA B 82 21.897 -5.056 0.336 1.00 0.00 N ATOM 665 CA ALA B 82 21.926 -6.069 1.383 1.00 0.00 C ATOM 666 C ALA B 82 22.239 -7.446 0.807 1.00 0.00 C ATOM 667 O ALA B 82 22.966 -8.233 1.411 1.00 0.00 O ATOM 668 CB ALA B 82 20.600 -6.096 2.128 1.00 0.00 C ATOM 0 H ALA B 82 20.990 -4.606 0.209 1.00 0.00 H new ATOM 0 HA ALA B 82 22.719 -5.808 2.084 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.636 -6.857 2.907 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.417 -5.122 2.581 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.795 -6.329 1.430 1.00 0.00 H new ATOM 674 N GLY B 83 21.683 -7.732 -0.367 1.00 0.00 N ATOM 675 CA GLY B 83 21.914 -9.014 -1.005 1.00 0.00 C ATOM 676 C GLY B 83 23.312 -9.133 -1.579 1.00 0.00 C ATOM 677 O GLY B 83 24.055 -10.054 -1.237 1.00 0.00 O ATOM 0 H GLY B 83 21.077 -7.098 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.753 -9.811 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.184 -9.156 -1.802 1.00 0.00 H new ATOM 681 N VAL B 84 23.671 -8.201 -2.456 1.00 0.00 N ATOM 682 CA VAL B 84 24.989 -8.206 -3.079 1.00 0.00 C ATOM 683 C VAL B 84 26.094 -8.227 -2.029 1.00 0.00 C ATOM 684 O VAL B 84 27.020 -9.035 -2.104 1.00 0.00 O ATOM 685 CB VAL B 84 25.184 -6.978 -3.989 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.595 -6.952 -4.557 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.151 -6.973 -5.105 1.00 0.00 C ATOM 0 H VAL B 84 23.068 -7.433 -2.751 1.00 0.00 H new ATOM 0 HA VAL B 84 25.050 -9.111 -3.684 1.00 0.00 H new ATOM 0 HB VAL B 84 25.043 -6.078 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.714 -6.078 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.315 -6.904 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.769 -7.856 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.303 -6.099 -5.738 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.258 -7.878 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.150 -6.939 -4.674 1.00 0.00 H new ATOM 697 N ILE B 85 25.990 -7.334 -1.051 1.00 0.00 N ATOM 698 CA ILE B 85 26.979 -7.251 0.016 1.00 0.00 C ATOM 699 C ILE B 85 27.008 -8.534 0.840 1.00 0.00 C ATOM 700 O ILE B 85 28.072 -9.097 1.094 1.00 0.00 O ATOM 701 CB ILE B 85 26.701 -6.060 0.952 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.867 -4.740 0.196 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.626 -6.106 2.158 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.285 -4.479 -0.260 1.00 0.00 C ATOM 0 H ILE B 85 25.230 -6.657 -0.976 1.00 0.00 H new ATOM 0 HA ILE B 85 27.947 -7.107 -0.463 1.00 0.00 H new ATOM 0 HB ILE B 85 25.672 -6.128 1.306 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.209 -4.743 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.544 -3.920 0.837 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.417 -5.258 2.810 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.463 -7.034 2.707 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.662 -6.060 1.824 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.328 -3.527 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.945 -4.443 0.607 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.606 -5.279 -0.927 1.00 0.00 H new ATOM 716 N GLY B 86 25.831 -8.992 1.253 1.00 0.00 N ATOM 717 CA GLY B 86 25.743 -10.207 2.043 1.00 0.00 C ATOM 718 C GLY B 86 26.296 -11.414 1.312 1.00 0.00 C ATOM 719 O GLY B 86 26.906 -12.293 1.922 1.00 0.00 O ATOM 0 H GLY B 86 24.936 -8.544 1.055 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.288 -10.070 2.977 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.701 -10.391 2.306 1.00 0.00 H new ATOM 723 N THR B 87 26.082 -11.460 0.001 1.00 0.00 N ATOM 724 CA THR B 87 26.560 -12.570 -0.814 1.00 0.00 C ATOM 725 C THR B 87 28.082 -12.570 -0.903 1.00 0.00 C ATOM 726 O THR B 87 28.735 -13.543 -0.526 1.00 0.00 O ATOM 727 CB THR B 87 25.974 -12.517 -2.237 1.00 0.00 C ATOM 728 OG1 THR B 87 24.543 -12.527 -2.178 1.00 0.00 O ATOM 729 CG2 THR B 87 26.460 -13.694 -3.067 1.00 0.00 C ATOM 0 H THR B 87 25.580 -10.741 -0.520 1.00 0.00 H new ATOM 0 HA THR B 87 26.226 -13.486 -0.327 1.00 0.00 H new ATOM 0 HB THR B 87 26.312 -11.595 -2.711 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.234 -11.787 -1.615 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.033 -13.635 -4.068 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.548 -13.667 -3.135 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.149 -14.626 -2.594 1.00 0.00 H new ATOM 737 N ILE B 88 28.640 -11.473 -1.404 1.00 0.00 N ATOM 738 CA ILE B 88 30.086 -11.346 -1.541 1.00 0.00 C ATOM 739 C ILE B 88 30.787 -11.584 -0.208 1.00 0.00 C ATOM 740 O ILE B 88 31.851 -12.203 -0.155 1.00 0.00 O ATOM 741 CB ILE B 88 30.481 -9.957 -2.076 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.811 -9.697 -3.427 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.994 -9.848 -2.200 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.949 -8.269 -3.904 1.00 0.00 C ATOM 0 H ILE B 88 28.113 -10.660 -1.722 1.00 0.00 H new ATOM 0 HA ILE B 88 30.403 -12.105 -2.256 1.00 0.00 H new ATOM 0 HB ILE B 88 30.138 -9.201 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.244 -10.364 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.752 -9.946 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.258 -8.861 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.451 -9.995 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.359 -10.610 -2.888 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.451 -8.157 -4.867 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.491 -7.597 -3.178 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.005 -8.022 -4.011 1.00 0.00 H new ATOM 756 N LEU B 89 30.184 -11.090 0.867 1.00 0.00 N ATOM 757 CA LEU B 89 30.749 -11.250 2.203 1.00 0.00 C ATOM 758 C LEU B 89 30.770 -12.719 2.613 1.00 0.00 C ATOM 759 O LEU B 89 31.812 -13.252 2.997 1.00 0.00 O ATOM 760 CB LEU B 89 29.946 -10.436 3.219 1.00 0.00 C ATOM 761 CG LEU B 89 30.333 -8.963 3.357 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.303 -8.216 4.189 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.718 -8.832 3.976 1.00 0.00 C ATOM 0 H LEU B 89 29.304 -10.575 0.840 1.00 0.00 H new ATOM 0 HA LEU B 89 31.775 -10.883 2.183 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.892 -10.490 2.946 1.00 0.00 H new ATOM 0 HB3 LEU B 89 30.047 -10.910 4.195 1.00 0.00 H new ATOM 0 HG LEU B 89 30.357 -8.518 2.362 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.595 -7.170 4.276 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.328 -8.281 3.706 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.246 -8.661 5.182 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.978 -7.777 4.067 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.720 -9.293 4.964 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.449 -9.332 3.341 1.00 0.00 H new ATOM 775 N LEU B 90 29.615 -13.368 2.528 1.00 0.00 N ATOM 776 CA LEU B 90 29.500 -14.777 2.888 1.00 0.00 C ATOM 777 C LEU B 90 30.502 -15.622 2.107 1.00 0.00 C ATOM 778 O LEU B 90 31.223 -16.437 2.683 1.00 0.00 O ATOM 779 CB LEU B 90 28.079 -15.277 2.624 1.00 0.00 C ATOM 780 CG LEU B 90 27.580 -16.394 3.541 1.00 0.00 C ATOM 781 CD1 LEU B 90 28.402 -17.658 3.340 1.00 0.00 C ATOM 782 CD2 LEU B 90 27.627 -15.951 4.996 1.00 0.00 C ATOM 0 H LEU B 90 28.744 -12.941 2.213 1.00 0.00 H new ATOM 0 HA LEU B 90 29.721 -14.874 3.951 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.396 -14.432 2.709 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.024 -15.628 1.594 1.00 0.00 H new ATOM 0 HG LEU B 90 26.544 -16.614 3.282 1.00 0.00 H new ATOM 0 HD11 LEU B 90 28.032 -18.442 4.001 1.00 0.00 H new ATOM 0 HD12 LEU B 90 28.317 -17.987 2.304 1.00 0.00 H new ATOM 0 HD13 LEU B 90 29.447 -17.453 3.570 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.268 -16.759 5.634 1.00 0.00 H new ATOM 0 HD22 LEU B 90 28.653 -15.702 5.268 1.00 0.00 H new ATOM 0 HD23 LEU B 90 26.994 -15.074 5.130 1.00 0.00 H new ATOM 794 N ILE B 91 30.543 -15.419 0.795 1.00 0.00 N ATOM 795 CA ILE B 91 31.459 -16.160 -0.064 1.00 0.00 C ATOM 796 C ILE B 91 32.910 -15.823 0.261 1.00 0.00 C ATOM 797 O ILE B 91 33.708 -16.706 0.575 1.00 0.00 O ATOM 798 CB ILE B 91 31.196 -15.867 -1.553 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.758 -16.237 -1.922 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.185 -16.626 -2.424 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.413 -15.951 -3.366 1.00 0.00 C ATOM 0 H ILE B 91 29.953 -14.748 0.303 1.00 0.00 H new ATOM 0 HA ILE B 91 31.283 -17.219 0.125 1.00 0.00 H new ATOM 0 HB ILE B 91 31.332 -14.800 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.601 -17.297 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.073 -15.687 -1.277 1.00 0.00 H new ATOM 0 HG21 ILE B 91 31.987 -16.409 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.200 -16.317 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.078 -17.696 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.379 -16.238 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.537 -14.887 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.074 -16.522 -4.018 1.00 0.00 H new ATOM 813 N SER B 92 33.245 -14.539 0.185 1.00 0.00 N ATOM 814 CA SER B 92 34.601 -14.085 0.468 1.00 0.00 C ATOM 815 C SER B 92 35.052 -14.549 1.850 1.00 0.00 C ATOM 816 O SER B 92 36.247 -14.694 2.109 1.00 0.00 O ATOM 817 CB SER B 92 34.680 -12.559 0.380 1.00 0.00 C ATOM 818 OG SER B 92 36.024 -12.123 0.275 1.00 0.00 O ATOM 0 H SER B 92 32.596 -13.795 -0.070 1.00 0.00 H new ATOM 0 HA SER B 92 35.266 -14.520 -0.278 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.113 -12.212 -0.484 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.219 -12.116 1.263 1.00 0.00 H new ATOM 0 HG SER B 92 36.047 -11.145 0.219 1.00 0.00 H new ATOM 824 N TYR B 93 34.087 -14.782 2.733 1.00 0.00 N ATOM 825 CA TYR B 93 34.384 -15.229 4.089 1.00 0.00 C ATOM 826 C TYR B 93 34.950 -16.645 4.084 1.00 0.00 C ATOM 827 O TYR B 93 35.994 -16.910 4.679 1.00 0.00 O ATOM 828 CB TYR B 93 33.123 -15.175 4.953 1.00 0.00 C ATOM 829 CG TYR B 93 33.372 -15.494 6.409 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.396 -16.808 6.859 1.00 0.00 C ATOM 831 CD2 TYR B 93 33.584 -14.481 7.336 1.00 0.00 C ATOM 832 CE1 TYR B 93 33.623 -17.105 8.189 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.814 -14.768 8.668 1.00 0.00 C ATOM 834 CZ TYR B 93 33.832 -16.081 9.089 1.00 0.00 C ATOM 835 OH TYR B 93 34.059 -16.371 10.415 1.00 0.00 O ATOM 0 H TYR B 93 33.093 -14.669 2.534 1.00 0.00 H new ATOM 0 HA TYR B 93 35.134 -14.559 4.509 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.684 -14.180 4.878 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.390 -15.878 4.556 1.00 0.00 H new ATOM 0 HD1 TYR B 93 33.234 -17.612 6.156 1.00 0.00 H new ATOM 0 HD2 TYR B 93 33.569 -13.452 7.010 1.00 0.00 H new ATOM 0 HE1 TYR B 93 33.637 -18.132 8.522 1.00 0.00 H new ATOM 0 HE2 TYR B 93 33.979 -13.969 9.375 1.00 0.00 H new ATOM 0 HH TYR B 93 34.188 -15.538 10.915 1.00 0.00 H new