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 58:sc= -0.135 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= -0.371 USER MOD Single : B 92 SER OG : rot -30:sc= 0.506 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.713 -4.841 -4.452 1.00 0.00 N ATOM 79 CA LEU A 75 10.988 -4.179 -4.706 1.00 0.00 C ATOM 80 C LEU A 75 12.113 -4.844 -3.920 1.00 0.00 C ATOM 81 O LEU A 75 13.228 -4.995 -4.420 1.00 0.00 O ATOM 82 CB LEU A 75 10.898 -2.697 -4.336 1.00 0.00 C ATOM 83 CG LEU A 75 9.698 -1.936 -4.900 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.292 -0.809 -3.964 1.00 0.00 C ATOM 85 CD2 LEU A 75 10.015 -1.393 -6.286 1.00 0.00 C ATOM 0 HA LEU A 75 11.211 -4.269 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.877 -2.615 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.808 -2.203 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 75 8.860 -2.628 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.436 -0.279 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.023 -1.222 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.125 -0.116 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.150 -0.854 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.867 -0.716 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.256 -2.220 -6.954 1.00 0.00 H new ATOM 97 N ILE A 76 11.812 -5.240 -2.687 1.00 0.00 N ATOM 98 CA ILE A 76 12.797 -5.892 -1.834 1.00 0.00 C ATOM 99 C ILE A 76 13.184 -7.260 -2.385 1.00 0.00 C ATOM 100 O ILE A 76 14.363 -7.610 -2.436 1.00 0.00 O ATOM 101 CB ILE A 76 12.273 -6.061 -0.396 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.821 -4.711 0.167 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.344 -6.678 0.490 1.00 0.00 C ATOM 104 CD1 ILE A 76 11.048 -4.825 1.462 1.00 0.00 C ATOM 0 H ILE A 76 10.895 -5.120 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 76 13.676 -5.247 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 76 11.414 -6.732 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.697 -4.083 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.201 -4.207 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.958 -6.791 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.622 -7.656 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.221 -6.030 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.760 -3.830 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.153 -5.426 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.673 -5.300 2.218 1.00 0.00 H new ATOM 116 N ILE A 77 12.182 -8.029 -2.799 1.00 0.00 N ATOM 117 CA ILE A 77 12.418 -9.358 -3.350 1.00 0.00 C ATOM 118 C ILE A 77 13.175 -9.279 -4.671 1.00 0.00 C ATOM 119 O ILE A 77 14.249 -9.863 -4.820 1.00 0.00 O ATOM 120 CB ILE A 77 11.096 -10.117 -3.574 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.498 -10.548 -2.234 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.324 -11.324 -4.472 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.300 -11.621 -1.531 1.00 0.00 C ATOM 0 H ILE A 77 11.200 -7.755 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 77 13.020 -9.900 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 77 10.390 -9.450 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.422 -9.677 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.484 -10.913 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.381 -11.850 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.711 -10.993 -5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.044 -11.995 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.817 -11.877 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.355 -12.507 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.307 -11.253 -1.335 1.00 0.00 H new ATOM 135 N PHE A 78 12.610 -8.551 -5.629 1.00 0.00 N ATOM 136 CA PHE A 78 13.232 -8.395 -6.938 1.00 0.00 C ATOM 137 C PHE A 78 14.594 -7.717 -6.816 1.00 0.00 C ATOM 138 O PHE A 78 15.497 -7.965 -7.614 1.00 0.00 O ATOM 139 CB PHE A 78 12.326 -7.579 -7.863 1.00 0.00 C ATOM 140 CG PHE A 78 12.979 -7.200 -9.161 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.710 -6.027 -9.268 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.862 -8.016 -10.275 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.313 -5.676 -10.461 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.463 -7.669 -11.470 1.00 0.00 C ATOM 145 CZ PHE A 78 14.188 -6.497 -11.564 1.00 0.00 C ATOM 0 H PHE A 78 11.722 -8.060 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 78 13.376 -9.388 -7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.424 -8.153 -8.074 1.00 0.00 H new ATOM 0 HB3 PHE A 78 12.013 -6.673 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.809 -5.380 -8.409 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.295 -8.933 -10.209 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.881 -4.760 -10.530 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.366 -8.314 -12.331 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.656 -6.223 -12.498 1.00 0.00 H new ATOM 155 N GLY A 79 14.734 -6.861 -5.808 1.00 0.00 N ATOM 156 CA GLY A 79 15.987 -6.160 -5.599 1.00 0.00 C ATOM 157 C GLY A 79 17.097 -7.083 -5.137 1.00 0.00 C ATOM 158 O GLY A 79 18.092 -7.271 -5.838 1.00 0.00 O ATOM 0 H GLY A 79 14.002 -6.641 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.286 -5.673 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.841 -5.373 -4.859 1.00 0.00 H new ATOM 162 N VAL A 80 16.929 -7.661 -3.951 1.00 0.00 N ATOM 163 CA VAL A 80 17.925 -8.569 -3.395 1.00 0.00 C ATOM 164 C VAL A 80 18.196 -9.733 -4.342 1.00 0.00 C ATOM 165 O VAL A 80 19.327 -10.206 -4.452 1.00 0.00 O ATOM 166 CB VAL A 80 17.478 -9.125 -2.031 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.513 -10.097 -1.484 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.230 -7.990 -1.049 1.00 0.00 C ATOM 0 H VAL A 80 16.112 -7.516 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 80 18.840 -7.992 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 80 16.543 -9.668 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.179 -10.479 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.637 -10.927 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.466 -9.582 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.915 -8.401 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.148 -7.418 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.449 -7.336 -1.438 1.00 0.00 H new ATOM 178 N MET A 81 17.151 -10.190 -5.024 1.00 0.00 N ATOM 179 CA MET A 81 17.277 -11.299 -5.963 1.00 0.00 C ATOM 180 C MET A 81 18.159 -10.912 -7.146 1.00 0.00 C ATOM 181 O MET A 81 19.056 -11.659 -7.534 1.00 0.00 O ATOM 182 CB MET A 81 15.898 -11.733 -6.461 1.00 0.00 C ATOM 183 CG MET A 81 15.164 -12.650 -5.497 1.00 0.00 C ATOM 184 SD MET A 81 15.170 -14.371 -6.034 1.00 0.00 S ATOM 185 CE MET A 81 13.730 -15.000 -5.175 1.00 0.00 C ATOM 0 H MET A 81 16.208 -9.810 -4.944 1.00 0.00 H new ATOM 0 HA MET A 81 17.745 -12.133 -5.441 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.290 -10.846 -6.640 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.010 -12.241 -7.419 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.625 -12.579 -4.512 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.134 -12.310 -5.392 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.601 -16.057 -5.407 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.866 -14.879 -4.100 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.846 -14.448 -5.494 1.00 0.00 H new ATOM 195 N ALA A 82 17.898 -9.739 -7.714 1.00 0.00 N ATOM 196 CA ALA A 82 18.670 -9.252 -8.851 1.00 0.00 C ATOM 197 C ALA A 82 20.132 -9.044 -8.473 1.00 0.00 C ATOM 198 O ALA A 82 21.034 -9.329 -9.261 1.00 0.00 O ATOM 199 CB ALA A 82 18.070 -7.958 -9.380 1.00 0.00 C ATOM 0 H ALA A 82 17.158 -9.108 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 82 18.629 -10.006 -9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.656 -7.605 -10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.043 -8.136 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.081 -7.204 -8.593 1.00 0.00 H new ATOM 205 N GLY A 83 20.361 -8.544 -7.262 1.00 0.00 N ATOM 206 CA GLY A 83 21.717 -8.306 -6.802 1.00 0.00 C ATOM 207 C GLY A 83 22.449 -9.590 -6.466 1.00 0.00 C ATOM 208 O GLY A 83 23.519 -9.863 -7.011 1.00 0.00 O ATOM 0 H GLY A 83 19.632 -8.300 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.269 -7.767 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.691 -7.665 -5.921 1.00 0.00 H new ATOM 212 N VAL A 84 21.874 -10.379 -5.565 1.00 0.00 N ATOM 213 CA VAL A 84 22.479 -11.641 -5.157 1.00 0.00 C ATOM 214 C VAL A 84 22.758 -12.533 -6.362 1.00 0.00 C ATOM 215 O VAL A 84 23.858 -13.064 -6.512 1.00 0.00 O ATOM 216 CB VAL A 84 21.577 -12.402 -4.167 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.182 -13.756 -3.826 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.351 -11.577 -2.910 1.00 0.00 C ATOM 0 H VAL A 84 20.990 -10.167 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 84 23.420 -11.396 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 84 20.610 -12.572 -4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.531 -14.279 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.286 -14.347 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.163 -13.612 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.712 -12.130 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.309 -11.373 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.870 -10.635 -3.174 1.00 0.00 H new ATOM 228 N ILE A 85 21.755 -12.691 -7.219 1.00 0.00 N ATOM 229 CA ILE A 85 21.893 -13.516 -8.412 1.00 0.00 C ATOM 230 C ILE A 85 22.943 -12.944 -9.358 1.00 0.00 C ATOM 231 O ILE A 85 23.817 -13.663 -9.840 1.00 0.00 O ATOM 232 CB ILE A 85 20.555 -13.645 -9.165 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.535 -14.402 -8.312 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.764 -14.348 -10.498 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.914 -15.844 -8.056 1.00 0.00 C ATOM 0 H ILE A 85 20.838 -12.258 -7.109 1.00 0.00 H new ATOM 0 HA ILE A 85 22.209 -14.504 -8.077 1.00 0.00 H new ATOM 0 HB ILE A 85 20.167 -12.645 -9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.420 -13.890 -7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.565 -14.372 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.810 -14.432 -11.019 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.461 -13.773 -11.108 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.171 -15.344 -10.324 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.146 -16.319 -7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.000 -16.372 -9.006 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.869 -15.882 -7.532 1.00 0.00 H new ATOM 247 N GLY A 86 22.850 -11.643 -9.619 1.00 0.00 N ATOM 248 CA GLY A 86 23.800 -10.995 -10.505 1.00 0.00 C ATOM 249 C GLY A 86 25.225 -11.092 -9.998 1.00 0.00 C ATOM 250 O GLY A 86 26.162 -11.252 -10.781 1.00 0.00 O ATOM 0 H GLY A 86 22.134 -11.027 -9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.738 -11.449 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.529 -9.945 -10.619 1.00 0.00 H new ATOM 254 N THR A 87 25.392 -10.992 -8.683 1.00 0.00 N ATOM 255 CA THR A 87 26.713 -11.066 -8.072 1.00 0.00 C ATOM 256 C THR A 87 27.304 -12.464 -8.209 1.00 0.00 C ATOM 257 O THR A 87 28.378 -12.640 -8.785 1.00 0.00 O ATOM 258 CB THR A 87 26.665 -10.684 -6.581 1.00 0.00 C ATOM 259 OG1 THR A 87 26.101 -9.377 -6.428 1.00 0.00 O ATOM 260 CG2 THR A 87 28.057 -10.716 -5.969 1.00 0.00 C ATOM 0 H THR A 87 24.628 -10.859 -8.020 1.00 0.00 H new ATOM 0 HA THR A 87 27.346 -10.354 -8.601 1.00 0.00 H new ATOM 0 HB THR A 87 26.041 -11.412 -6.062 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.206 -9.358 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.998 -10.443 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.472 -11.720 -6.061 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.701 -10.008 -6.492 1.00 0.00 H new ATOM 268 N ILE A 88 26.597 -13.455 -7.676 1.00 0.00 N ATOM 269 CA ILE A 88 27.052 -14.838 -7.740 1.00 0.00 C ATOM 270 C ILE A 88 27.324 -15.261 -9.180 1.00 0.00 C ATOM 271 O ILE A 88 28.274 -15.995 -9.454 1.00 0.00 O ATOM 272 CB ILE A 88 26.021 -15.799 -7.121 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.748 -15.419 -5.664 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.512 -17.236 -7.216 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.581 -16.164 -5.054 1.00 0.00 C ATOM 0 H ILE A 88 25.707 -13.326 -7.195 1.00 0.00 H new ATOM 0 HA ILE A 88 27.977 -14.893 -7.167 1.00 0.00 H new ATOM 0 HB ILE A 88 25.089 -15.717 -7.679 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.642 -15.614 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.555 -14.348 -5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.772 -17.903 -6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.661 -17.501 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.456 -17.334 -6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.446 -15.845 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.676 -15.950 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.780 -17.235 -5.079 1.00 0.00 H new ATOM 287 N LEU A 89 26.485 -14.792 -10.097 1.00 0.00 N ATOM 288 CA LEU A 89 26.635 -15.119 -11.511 1.00 0.00 C ATOM 289 C LEU A 89 27.929 -14.537 -12.070 1.00 0.00 C ATOM 290 O LEU A 89 28.761 -15.260 -12.619 1.00 0.00 O ATOM 291 CB LEU A 89 25.439 -14.593 -12.306 1.00 0.00 C ATOM 292 CG LEU A 89 24.176 -15.454 -12.269 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.026 -14.746 -12.967 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.437 -16.811 -12.908 1.00 0.00 C ATOM 0 H LEU A 89 25.694 -14.184 -9.887 1.00 0.00 H new ATOM 0 HA LEU A 89 26.676 -16.204 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.189 -13.600 -11.932 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.743 -14.475 -13.346 1.00 0.00 H new ATOM 0 HG LEU A 89 23.898 -15.613 -11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.136 -15.374 -12.930 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.823 -13.800 -12.465 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.293 -14.556 -14.006 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.527 -17.411 -12.873 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.740 -16.672 -13.946 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.230 -17.323 -12.363 1.00 0.00 H new ATOM 306 N LEU A 90 28.092 -13.226 -11.926 1.00 0.00 N ATOM 307 CA LEU A 90 29.286 -12.546 -12.415 1.00 0.00 C ATOM 308 C LEU A 90 30.550 -13.210 -11.878 1.00 0.00 C ATOM 309 O LEU A 90 31.474 -13.511 -12.634 1.00 0.00 O ATOM 310 CB LEU A 90 29.259 -11.071 -12.010 1.00 0.00 C ATOM 311 CG LEU A 90 29.964 -10.101 -12.959 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.325 -8.723 -12.884 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.448 -10.021 -12.634 1.00 0.00 C ATOM 0 H LEU A 90 27.413 -12.613 -11.475 1.00 0.00 H new ATOM 0 HA LEU A 90 29.295 -12.618 -13.503 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.219 -10.761 -11.913 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.713 -10.977 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 90 29.855 -10.475 -13.977 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.839 -8.046 -13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.275 -8.793 -13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.402 -8.341 -11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.934 -9.326 -13.319 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.578 -9.671 -11.610 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.897 -11.008 -12.740 1.00 0.00 H new ATOM 325 N ILE A 91 30.582 -13.437 -10.569 1.00 0.00 N ATOM 326 CA ILE A 91 31.731 -14.069 -9.932 1.00 0.00 C ATOM 327 C ILE A 91 31.915 -15.500 -10.425 1.00 0.00 C ATOM 328 O ILE A 91 32.979 -15.862 -10.928 1.00 0.00 O ATOM 329 CB ILE A 91 31.587 -14.081 -8.399 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.445 -12.654 -7.867 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.783 -14.773 -7.761 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.276 -12.582 -6.365 1.00 0.00 C ATOM 0 H ILE A 91 29.826 -13.193 -9.929 1.00 0.00 H new ATOM 0 HA ILE A 91 32.607 -13.479 -10.203 1.00 0.00 H new ATOM 0 HB ILE A 91 30.687 -14.637 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.326 -12.079 -8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.587 -12.181 -8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.667 -14.774 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.843 -15.800 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.696 -14.241 -8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.181 -11.540 -6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.379 -13.129 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.145 -13.025 -5.879 1.00 0.00 H new ATOM 344 N SER A 92 30.871 -16.310 -10.280 1.00 0.00 N ATOM 345 CA SER A 92 30.918 -17.702 -10.709 1.00 0.00 C ATOM 346 C SER A 92 31.361 -17.808 -12.165 1.00 0.00 C ATOM 347 O SER A 92 31.928 -18.818 -12.582 1.00 0.00 O ATOM 348 CB SER A 92 29.548 -18.360 -10.531 1.00 0.00 C ATOM 349 OG SER A 92 29.484 -19.598 -11.217 1.00 0.00 O ATOM 0 H SER A 92 29.982 -16.026 -9.868 1.00 0.00 H new ATOM 0 HA SER A 92 31.646 -18.223 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.352 -18.518 -9.470 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.770 -17.694 -10.903 1.00 0.00 H new ATOM 0 HG SER A 92 28.599 -19.999 -11.086 1.00 0.00 H new ATOM 355 N TYR A 93 31.096 -16.758 -12.934 1.00 0.00 N ATOM 356 CA TYR A 93 31.463 -16.731 -14.345 1.00 0.00 C ATOM 357 C TYR A 93 32.979 -16.764 -14.514 1.00 0.00 C ATOM 358 O TYR A 93 33.499 -17.374 -15.447 1.00 0.00 O ATOM 359 CB TYR A 93 30.890 -15.484 -15.020 1.00 0.00 C ATOM 360 CG TYR A 93 30.722 -15.628 -16.516 1.00 0.00 C ATOM 361 CD1 TYR A 93 31.760 -15.318 -17.385 1.00 0.00 C ATOM 362 CD2 TYR A 93 29.524 -16.076 -17.059 1.00 0.00 C ATOM 363 CE1 TYR A 93 31.610 -15.447 -18.752 1.00 0.00 C ATOM 364 CE2 TYR A 93 29.366 -16.210 -18.425 1.00 0.00 C ATOM 365 CZ TYR A 93 30.411 -15.894 -19.267 1.00 0.00 C ATOM 366 OH TYR A 93 30.258 -16.025 -20.629 1.00 0.00 O ATOM 0 H TYR A 93 30.628 -15.914 -12.604 1.00 0.00 H new ATOM 0 HA TYR A 93 31.043 -17.618 -14.820 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.922 -15.252 -14.575 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.545 -14.637 -14.816 1.00 0.00 H new ATOM 0 HD1 TYR A 93 32.701 -14.970 -16.985 1.00 0.00 H new ATOM 0 HD2 TYR A 93 28.703 -16.324 -16.403 1.00 0.00 H new ATOM 0 HE1 TYR A 93 32.427 -15.199 -19.414 1.00 0.00 H new ATOM 0 HE2 TYR A 93 28.429 -16.560 -18.831 1.00 0.00 H new ATOM 0 HH TYR A 93 29.356 -16.352 -20.827 1.00 0.00 H new ATOM 547 N LEU B 75 13.669 0.780 -1.014 1.00 0.00 N ATOM 548 CA LEU B 75 13.647 -0.668 -0.841 1.00 0.00 C ATOM 549 C LEU B 75 14.561 -1.351 -1.854 1.00 0.00 C ATOM 550 O LEU B 75 15.220 -2.342 -1.540 1.00 0.00 O ATOM 551 CB LEU B 75 12.220 -1.198 -0.987 1.00 0.00 C ATOM 552 CG LEU B 75 11.124 -0.367 -0.318 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.766 -1.026 -0.504 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.428 -0.176 1.161 1.00 0.00 C ATOM 0 HA LEU B 75 14.011 -0.895 0.161 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.990 -1.278 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.185 -2.207 -0.577 1.00 0.00 H new ATOM 0 HG LEU B 75 11.097 0.614 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.999 -0.421 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.545 -1.111 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.779 -2.020 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.638 0.417 1.621 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.483 -1.149 1.650 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.381 0.340 1.273 1.00 0.00 H new ATOM 566 N ILE B 76 14.596 -0.813 -3.068 1.00 0.00 N ATOM 567 CA ILE B 76 15.432 -1.368 -4.125 1.00 0.00 C ATOM 568 C ILE B 76 16.912 -1.219 -3.792 1.00 0.00 C ATOM 569 O ILE B 76 17.697 -2.149 -3.975 1.00 0.00 O ATOM 570 CB ILE B 76 15.151 -0.691 -5.480 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.665 -0.796 -5.829 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.004 -1.318 -6.573 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.240 0.130 -6.947 1.00 0.00 C ATOM 0 H ILE B 76 14.055 0.007 -3.344 1.00 0.00 H new ATOM 0 HA ILE B 76 15.184 -2.427 -4.199 1.00 0.00 H new ATOM 0 HB ILE B 76 15.413 0.364 -5.403 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.439 -1.824 -6.113 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.075 -0.574 -4.940 1.00 0.00 H new ATOM 0 HG21 ILE B 76 15.794 -0.829 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.059 -1.195 -6.327 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.771 -2.380 -6.652 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.175 0.002 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.434 1.163 -6.658 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.804 -0.106 -7.849 1.00 0.00 H new ATOM 585 N ILE B 77 17.286 -0.042 -3.301 1.00 0.00 N ATOM 586 CA ILE B 77 18.672 0.229 -2.939 1.00 0.00 C ATOM 587 C ILE B 77 19.112 -0.637 -1.763 1.00 0.00 C ATOM 588 O ILE B 77 20.074 -1.399 -1.865 1.00 0.00 O ATOM 589 CB ILE B 77 18.880 1.711 -2.576 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.796 2.582 -3.831 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.220 1.903 -1.881 1.00 0.00 C ATOM 592 CD1 ILE B 77 19.943 2.368 -4.794 1.00 0.00 C ATOM 0 H ILE B 77 16.649 0.739 -3.145 1.00 0.00 H new ATOM 0 HA ILE B 77 19.279 -0.011 -3.812 1.00 0.00 H new ATOM 0 HB ILE B 77 18.090 2.016 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE B 77 17.857 2.375 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.772 3.631 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.353 2.956 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.245 1.307 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.023 1.584 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE B 77 19.817 3.018 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE B 77 20.884 2.603 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE B 77 19.955 1.328 -5.120 1.00 0.00 H new ATOM 604 N PHE B 78 18.401 -0.516 -0.647 1.00 0.00 N ATOM 605 CA PHE B 78 18.718 -1.288 0.549 1.00 0.00 C ATOM 606 C PHE B 78 18.616 -2.785 0.272 1.00 0.00 C ATOM 607 O PHE B 78 19.322 -3.589 0.880 1.00 0.00 O ATOM 608 CB PHE B 78 17.777 -0.904 1.693 1.00 0.00 C ATOM 609 CG PHE B 78 17.905 -1.792 2.898 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.157 -2.953 3.002 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.775 -1.465 3.926 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.273 -3.773 4.109 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.895 -2.281 5.035 1.00 0.00 C ATOM 614 CZ PHE B 78 18.142 -3.435 5.128 1.00 0.00 C ATOM 0 H PHE B 78 17.601 0.109 -0.546 1.00 0.00 H new ATOM 0 HA PHE B 78 19.744 -1.059 0.839 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.978 0.126 1.988 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.748 -0.938 1.334 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.475 -3.221 2.209 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.365 -0.563 3.860 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.685 -4.676 4.177 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.578 -2.016 5.829 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.232 -4.072 5.996 1.00 0.00 H new ATOM 624 N GLY B 79 17.731 -3.152 -0.650 1.00 0.00 N ATOM 625 CA GLY B 79 17.552 -4.551 -0.991 1.00 0.00 C ATOM 626 C GLY B 79 18.749 -5.128 -1.720 1.00 0.00 C ATOM 627 O GLY B 79 19.419 -6.029 -1.213 1.00 0.00 O ATOM 0 H GLY B 79 17.135 -2.505 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.374 -5.124 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.664 -4.659 -1.614 1.00 0.00 H new ATOM 631 N VAL B 80 19.020 -4.611 -2.914 1.00 0.00 N ATOM 632 CA VAL B 80 20.144 -5.081 -3.714 1.00 0.00 C ATOM 633 C VAL B 80 21.456 -4.954 -2.947 1.00 0.00 C ATOM 634 O VAL B 80 22.344 -5.796 -3.073 1.00 0.00 O ATOM 635 CB VAL B 80 20.258 -4.298 -5.036 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.456 -4.780 -5.840 1.00 0.00 C ATOM 637 CG2 VAL B 80 18.976 -4.430 -5.844 1.00 0.00 C ATOM 0 H VAL B 80 18.476 -3.866 -3.349 1.00 0.00 H new ATOM 0 HA VAL B 80 19.957 -6.131 -3.937 1.00 0.00 H new ATOM 0 HB VAL B 80 20.407 -3.244 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.521 -4.216 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.367 -4.630 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.340 -5.840 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.073 -3.871 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.794 -5.481 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.140 -4.033 -5.268 1.00 0.00 H new ATOM 647 N MET B 81 21.569 -3.896 -2.151 1.00 0.00 N ATOM 648 CA MET B 81 22.772 -3.660 -1.361 1.00 0.00 C ATOM 649 C MET B 81 22.953 -4.748 -0.307 1.00 0.00 C ATOM 650 O MET B 81 24.044 -5.294 -0.146 1.00 0.00 O ATOM 651 CB MET B 81 22.705 -2.287 -0.688 1.00 0.00 C ATOM 652 CG MET B 81 23.117 -1.143 -1.600 1.00 0.00 C ATOM 653 SD MET B 81 24.892 -1.111 -1.917 1.00 0.00 S ATOM 654 CE MET B 81 25.088 0.542 -2.579 1.00 0.00 C ATOM 0 H MET B 81 20.843 -3.189 -2.036 1.00 0.00 H new ATOM 0 HA MET B 81 23.629 -3.685 -2.034 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.688 -2.113 -0.337 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.350 -2.290 0.191 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.584 -1.229 -2.547 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.815 -0.198 -1.149 1.00 0.00 H new ATOM 0 HE1 MET B 81 26.136 0.714 -2.824 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.483 0.648 -3.479 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.765 1.272 -1.837 1.00 0.00 H new ATOM 664 N ALA B 82 21.876 -5.056 0.408 1.00 0.00 N ATOM 665 CA ALA B 82 21.916 -6.080 1.445 1.00 0.00 C ATOM 666 C ALA B 82 22.236 -7.449 0.854 1.00 0.00 C ATOM 667 O ALA B 82 22.967 -8.238 1.450 1.00 0.00 O ATOM 668 CB ALA B 82 20.593 -6.124 2.195 1.00 0.00 C ATOM 0 H ALA B 82 20.966 -4.612 0.288 1.00 0.00 H new ATOM 0 HA ALA B 82 22.710 -5.821 2.145 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.637 -6.893 2.966 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.405 -5.156 2.659 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.787 -6.355 1.498 1.00 0.00 H new ATOM 674 N GLY B 83 21.683 -7.724 -0.324 1.00 0.00 N ATOM 675 CA GLY B 83 21.921 -8.998 -0.976 1.00 0.00 C ATOM 676 C GLY B 83 23.319 -9.102 -1.552 1.00 0.00 C ATOM 677 O GLY B 83 24.068 -10.021 -1.221 1.00 0.00 O ATOM 0 H GLY B 83 21.075 -7.087 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.766 -9.804 -0.259 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.191 -9.136 -1.774 1.00 0.00 H new ATOM 681 N VAL B 84 23.671 -8.158 -2.420 1.00 0.00 N ATOM 682 CA VAL B 84 24.989 -8.148 -3.044 1.00 0.00 C ATOM 683 C VAL B 84 26.095 -8.172 -1.996 1.00 0.00 C ATOM 684 O VAL B 84 27.030 -8.968 -2.083 1.00 0.00 O ATOM 685 CB VAL B 84 25.174 -6.911 -3.942 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.582 -6.873 -4.516 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.136 -6.899 -5.054 1.00 0.00 C ATOM 0 H VAL B 84 23.062 -7.391 -2.707 1.00 0.00 H new ATOM 0 HA VAL B 84 25.056 -9.047 -3.657 1.00 0.00 H new ATOM 0 HB VAL B 84 25.031 -6.018 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.694 -5.992 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.306 -6.830 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.757 -7.770 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.282 -6.018 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.244 -7.797 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.137 -6.874 -4.619 1.00 0.00 H new ATOM 697 N ILE B 85 25.982 -7.294 -1.005 1.00 0.00 N ATOM 698 CA ILE B 85 26.971 -7.215 0.062 1.00 0.00 C ATOM 699 C ILE B 85 27.006 -8.504 0.876 1.00 0.00 C ATOM 700 O ILE B 85 28.073 -9.057 1.138 1.00 0.00 O ATOM 701 CB ILE B 85 26.688 -6.032 1.007 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.845 -4.706 0.261 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.617 -6.082 2.211 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.261 -4.433 -0.195 1.00 0.00 C ATOM 0 H ILE B 85 25.215 -6.627 -0.919 1.00 0.00 H new ATOM 0 HA ILE B 85 27.939 -7.063 -0.416 1.00 0.00 H new ATOM 0 HB ILE B 85 25.660 -6.108 1.362 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.186 -4.707 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.517 -3.893 0.909 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.405 -5.240 2.869 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.460 -7.015 2.753 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.652 -6.028 1.874 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.297 -3.476 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.922 -4.400 0.671 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.586 -5.226 -0.869 1.00 0.00 H new ATOM 716 N GLY B 86 25.829 -8.979 1.273 1.00 0.00 N ATOM 717 CA GLY B 86 25.747 -10.201 2.052 1.00 0.00 C ATOM 718 C GLY B 86 26.312 -11.398 1.314 1.00 0.00 C ATOM 719 O GLY B 86 26.943 -12.268 1.916 1.00 0.00 O ATOM 0 H GLY B 86 24.931 -8.540 1.069 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.287 -10.068 2.989 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.706 -10.395 2.309 1.00 0.00 H new ATOM 723 N THR B 87 26.085 -11.446 0.005 1.00 0.00 N ATOM 724 CA THR B 87 26.573 -12.547 -0.816 1.00 0.00 C ATOM 725 C THR B 87 28.094 -12.524 -0.918 1.00 0.00 C ATOM 726 O THR B 87 28.765 -13.484 -0.538 1.00 0.00 O ATOM 727 CB THR B 87 25.975 -12.498 -2.235 1.00 0.00 C ATOM 728 OG1 THR B 87 24.545 -12.499 -2.163 1.00 0.00 O ATOM 729 CG2 THR B 87 26.447 -13.684 -3.062 1.00 0.00 C ATOM 0 H THR B 87 25.566 -10.735 -0.509 1.00 0.00 H new ATOM 0 HA THR B 87 26.257 -13.469 -0.328 1.00 0.00 H new ATOM 0 HB THR B 87 26.314 -11.581 -2.718 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.245 -11.756 -1.599 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.012 -13.628 -4.060 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.534 -13.665 -3.139 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.134 -14.611 -2.581 1.00 0.00 H new ATOM 737 N ILE B 88 28.632 -11.423 -1.431 1.00 0.00 N ATOM 738 CA ILE B 88 30.074 -11.275 -1.580 1.00 0.00 C ATOM 739 C ILE B 88 30.790 -11.501 -0.253 1.00 0.00 C ATOM 740 O ILE B 88 31.872 -12.087 -0.210 1.00 0.00 O ATOM 741 CB ILE B 88 30.445 -9.881 -2.120 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.769 -9.637 -3.471 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.955 -9.746 -2.245 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.897 -8.212 -3.962 1.00 0.00 C ATOM 0 H ILE B 88 28.090 -10.620 -1.751 1.00 0.00 H new ATOM 0 HA ILE B 88 30.396 -12.030 -2.297 1.00 0.00 H new ATOM 0 HB ILE B 88 30.090 -9.128 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.203 -10.308 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.712 -9.892 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.201 -8.756 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.415 -9.881 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.333 -10.504 -2.931 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.395 -8.112 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.437 -7.536 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE B 88 30.951 -7.959 -4.075 1.00 0.00 H new ATOM 756 N LEU B 89 30.178 -11.033 0.829 1.00 0.00 N ATOM 757 CA LEU B 89 30.756 -11.185 2.161 1.00 0.00 C ATOM 758 C LEU B 89 30.820 -12.655 2.561 1.00 0.00 C ATOM 759 O LEU B 89 31.886 -13.172 2.899 1.00 0.00 O ATOM 760 CB LEU B 89 29.936 -10.400 3.186 1.00 0.00 C ATOM 761 CG LEU B 89 30.266 -8.912 3.313 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.209 -8.200 4.142 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.645 -8.722 3.926 1.00 0.00 C ATOM 0 H LEU B 89 29.282 -10.545 0.811 1.00 0.00 H new ATOM 0 HA LEU B 89 31.771 -10.789 2.138 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.881 -10.497 2.929 1.00 0.00 H new ATOM 0 HB3 LEU B 89 30.070 -10.866 4.162 1.00 0.00 H new ATOM 0 HG LEU B 89 30.271 -8.474 2.315 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.460 -7.142 4.222 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.237 -8.307 3.661 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.171 -8.640 5.139 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.863 -7.657 4.009 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.668 -9.175 4.917 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.394 -9.197 3.292 1.00 0.00 H new ATOM 775 N LEU B 90 29.673 -13.325 2.520 1.00 0.00 N ATOM 776 CA LEU B 90 29.599 -14.737 2.877 1.00 0.00 C ATOM 777 C LEU B 90 30.604 -15.556 2.073 1.00 0.00 C ATOM 778 O LEU B 90 31.347 -16.366 2.629 1.00 0.00 O ATOM 779 CB LEU B 90 28.185 -15.270 2.640 1.00 0.00 C ATOM 780 CG LEU B 90 27.733 -16.406 3.558 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.229 -16.349 3.778 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.138 -17.754 2.977 1.00 0.00 C ATOM 0 H LEU B 90 28.782 -12.913 2.243 1.00 0.00 H new ATOM 0 HA LEU B 90 29.844 -14.832 3.935 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.484 -14.442 2.747 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.116 -15.614 1.608 1.00 0.00 H new ATOM 0 HG LEU B 90 28.225 -16.285 4.523 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.926 -17.165 4.434 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.964 -15.397 4.238 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.717 -16.444 2.820 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.808 -18.551 3.643 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.674 -17.883 1.999 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.222 -17.794 2.872 1.00 0.00 H new ATOM 794 N ILE B 91 30.624 -15.337 0.762 1.00 0.00 N ATOM 795 CA ILE B 91 31.540 -16.052 -0.117 1.00 0.00 C ATOM 796 C ILE B 91 32.990 -15.693 0.190 1.00 0.00 C ATOM 797 O ILE B 91 33.814 -16.567 0.456 1.00 0.00 O ATOM 798 CB ILE B 91 31.250 -15.748 -1.599 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.816 -16.144 -1.953 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.243 -16.477 -2.493 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.438 -15.833 -3.384 1.00 0.00 C ATOM 0 H ILE B 91 30.016 -14.670 0.286 1.00 0.00 H new ATOM 0 HA ILE B 91 31.386 -17.116 0.064 1.00 0.00 H new ATOM 0 HB ILE B 91 31.361 -14.676 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.689 -17.212 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.129 -15.626 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.025 -16.252 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.255 -16.150 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.161 -17.551 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.408 -16.141 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.533 -14.762 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.101 -16.372 -4.061 1.00 0.00 H new ATOM 813 N SER B 92 33.294 -14.399 0.153 1.00 0.00 N ATOM 814 CA SER B 92 34.645 -13.923 0.425 1.00 0.00 C ATOM 815 C SER B 92 35.114 -14.380 1.803 1.00 0.00 C ATOM 816 O SER B 92 36.314 -14.453 2.070 1.00 0.00 O ATOM 817 CB SER B 92 34.698 -12.397 0.336 1.00 0.00 C ATOM 818 OG SER B 92 34.064 -11.798 1.454 1.00 0.00 O ATOM 0 H SER B 92 32.623 -13.662 -0.063 1.00 0.00 H new ATOM 0 HA SER B 92 35.312 -14.347 -0.326 1.00 0.00 H new ATOM 0 HB2 SER B 92 35.736 -12.069 0.284 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.212 -12.066 -0.582 1.00 0.00 H new ATOM 0 HG SER B 92 33.349 -12.385 1.778 1.00 0.00 H new ATOM 824 N TYR B 93 34.159 -14.687 2.674 1.00 0.00 N ATOM 825 CA TYR B 93 34.474 -15.135 4.026 1.00 0.00 C ATOM 826 C TYR B 93 35.205 -16.473 4.000 1.00 0.00 C ATOM 827 O TYR B 93 36.294 -16.609 4.557 1.00 0.00 O ATOM 828 CB TYR B 93 33.194 -15.256 4.856 1.00 0.00 C ATOM 829 CG TYR B 93 33.447 -15.425 6.337 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.858 -16.645 6.857 1.00 0.00 C ATOM 831 CD2 TYR B 93 33.275 -14.362 7.216 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.089 -16.803 8.210 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.506 -14.510 8.570 1.00 0.00 C ATOM 834 CZ TYR B 93 33.912 -15.733 9.062 1.00 0.00 C ATOM 835 OH TYR B 93 34.143 -15.886 10.410 1.00 0.00 O ATOM 0 H TYR B 93 33.161 -14.634 2.469 1.00 0.00 H new ATOM 0 HA TYR B 93 35.128 -14.393 4.484 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.584 -14.367 4.699 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.616 -16.107 4.495 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.000 -17.485 6.193 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.955 -13.404 6.834 1.00 0.00 H new ATOM 0 HE1 TYR B 93 34.407 -17.759 8.598 1.00 0.00 H new ATOM 0 HE2 TYR B 93 33.370 -13.673 9.239 1.00 0.00 H new ATOM 0 HH TYR B 93 33.974 -15.037 10.869 1.00 0.00 H new