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 56:sc= -0.239! USER MOD Single : A 92 SER OG : rot -20:sc= 0.158 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 58:sc= 0.0979 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 9.450 -5.181 -4.101 1.00 0.00 N ATOM 79 CA LEU A 75 10.684 -4.491 -4.462 1.00 0.00 C ATOM 80 C LEU A 75 11.886 -5.129 -3.772 1.00 0.00 C ATOM 81 O LEU A 75 12.965 -5.233 -4.355 1.00 0.00 O ATOM 82 CB LEU A 75 10.592 -3.011 -4.086 1.00 0.00 C ATOM 83 CG LEU A 75 9.342 -2.273 -4.567 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.447 -0.788 -4.258 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.131 -2.496 -6.057 1.00 0.00 C ATOM 0 HA LEU A 75 10.819 -4.578 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.643 -2.929 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.468 -2.500 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 75 8.480 -2.674 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.549 -0.279 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.549 -0.647 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.319 -0.372 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.237 -1.963 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.995 -2.123 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.009 -3.562 -6.252 1.00 0.00 H new ATOM 97 N ILE A 76 11.690 -5.556 -2.529 1.00 0.00 N ATOM 98 CA ILE A 76 12.757 -6.186 -1.761 1.00 0.00 C ATOM 99 C ILE A 76 13.152 -7.528 -2.369 1.00 0.00 C ATOM 100 O ILE A 76 14.333 -7.870 -2.428 1.00 0.00 O ATOM 101 CB ILE A 76 12.343 -6.402 -0.294 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.946 -5.071 0.348 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.475 -7.055 0.485 1.00 0.00 C ATOM 104 CD1 ILE A 76 13.091 -4.089 0.460 1.00 0.00 C ATOM 0 H ILE A 76 10.803 -5.477 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 76 13.611 -5.509 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 76 11.480 -7.067 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.146 -4.619 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.543 -5.262 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.167 -7.201 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.715 -8.020 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.355 -6.412 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.737 -3.168 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.883 -4.522 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.479 -3.868 -0.534 1.00 0.00 H new ATOM 116 N ILE A 77 12.156 -8.283 -2.820 1.00 0.00 N ATOM 117 CA ILE A 77 12.400 -9.586 -3.426 1.00 0.00 C ATOM 118 C ILE A 77 13.156 -9.447 -4.743 1.00 0.00 C ATOM 119 O ILE A 77 14.246 -9.996 -4.906 1.00 0.00 O ATOM 120 CB ILE A 77 11.083 -10.344 -3.680 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.440 -10.752 -2.353 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.335 -11.566 -4.551 1.00 0.00 C ATOM 123 CD1 ILE A 77 8.941 -10.938 -2.440 1.00 0.00 C ATOM 0 H ILE A 77 11.173 -8.015 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 77 13.006 -10.154 -2.720 1.00 0.00 H new ATOM 0 HB ILE A 77 10.395 -9.682 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.894 -11.681 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.661 -9.993 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.395 -12.091 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.754 -11.251 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.037 -12.232 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.553 -11.227 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.476 -10.003 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.713 -11.718 -3.166 1.00 0.00 H new ATOM 135 N PHE A 78 12.570 -8.708 -5.680 1.00 0.00 N ATOM 136 CA PHE A 78 13.189 -8.496 -6.983 1.00 0.00 C ATOM 137 C PHE A 78 14.542 -7.805 -6.837 1.00 0.00 C ATOM 138 O PHE A 78 15.453 -8.027 -7.633 1.00 0.00 O ATOM 139 CB PHE A 78 12.270 -7.660 -7.877 1.00 0.00 C ATOM 140 CG PHE A 78 12.910 -7.244 -9.171 1.00 0.00 C ATOM 141 CD1 PHE A 78 12.818 -8.049 -10.295 1.00 0.00 C ATOM 142 CD2 PHE A 78 13.603 -6.047 -9.263 1.00 0.00 C ATOM 143 CE1 PHE A 78 13.405 -7.669 -11.487 1.00 0.00 C ATOM 144 CE2 PHE A 78 14.191 -5.662 -10.453 1.00 0.00 C ATOM 145 CZ PHE A 78 14.093 -6.474 -11.565 1.00 0.00 C ATOM 0 H PHE A 78 11.668 -8.247 -5.561 1.00 0.00 H new ATOM 0 HA PHE A 78 13.347 -9.470 -7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.368 -8.233 -8.094 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.958 -6.769 -7.332 1.00 0.00 H new ATOM 0 HD1 PHE A 78 12.281 -8.984 -10.239 1.00 0.00 H new ATOM 0 HD2 PHE A 78 13.684 -5.409 -8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 78 13.326 -8.305 -12.356 1.00 0.00 H new ATOM 0 HE2 PHE A 78 14.727 -4.726 -10.513 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.554 -6.175 -12.495 1.00 0.00 H new ATOM 155 N GLY A 79 14.663 -6.965 -5.813 1.00 0.00 N ATOM 156 CA GLY A 79 15.906 -6.254 -5.581 1.00 0.00 C ATOM 157 C GLY A 79 17.028 -7.174 -5.143 1.00 0.00 C ATOM 158 O GLY A 79 18.019 -7.340 -5.855 1.00 0.00 O ATOM 0 H GLY A 79 13.923 -6.765 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.200 -5.736 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.748 -5.491 -4.819 1.00 0.00 H new ATOM 162 N VAL A 80 16.874 -7.774 -3.967 1.00 0.00 N ATOM 163 CA VAL A 80 17.882 -8.683 -3.434 1.00 0.00 C ATOM 164 C VAL A 80 18.169 -9.818 -4.410 1.00 0.00 C ATOM 165 O VAL A 80 19.304 -10.281 -4.523 1.00 0.00 O ATOM 166 CB VAL A 80 17.443 -9.279 -2.084 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.500 -10.235 -1.553 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.160 -8.173 -1.079 1.00 0.00 C ATOM 0 H VAL A 80 16.060 -7.647 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 80 18.789 -8.098 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 80 16.523 -9.842 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.172 -10.646 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.648 -11.046 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.439 -9.699 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.851 -8.613 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.062 -7.580 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.364 -7.532 -1.458 1.00 0.00 H new ATOM 178 N MET A 81 17.133 -10.263 -5.113 1.00 0.00 N ATOM 179 CA MET A 81 17.275 -11.344 -6.082 1.00 0.00 C ATOM 180 C MET A 81 18.165 -10.918 -7.245 1.00 0.00 C ATOM 181 O MET A 81 19.073 -11.648 -7.643 1.00 0.00 O ATOM 182 CB MET A 81 15.902 -11.771 -6.605 1.00 0.00 C ATOM 183 CG MET A 81 15.164 -12.717 -5.672 1.00 0.00 C ATOM 184 SD MET A 81 13.619 -13.323 -6.377 1.00 0.00 S ATOM 185 CE MET A 81 14.036 -15.039 -6.680 1.00 0.00 C ATOM 0 H MET A 81 16.186 -9.892 -5.030 1.00 0.00 H new ATOM 0 HA MET A 81 17.744 -12.190 -5.580 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.291 -10.883 -6.766 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.025 -12.253 -7.575 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.808 -13.564 -5.436 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.954 -12.205 -4.733 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.178 -15.550 -7.117 1.00 0.00 H new ATOM 0 HE2 MET A 81 14.880 -15.092 -7.368 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.304 -15.520 -5.739 1.00 0.00 H new ATOM 195 N ALA A 82 17.899 -9.734 -7.786 1.00 0.00 N ATOM 196 CA ALA A 82 18.678 -9.212 -8.902 1.00 0.00 C ATOM 197 C ALA A 82 20.135 -9.004 -8.505 1.00 0.00 C ATOM 198 O ALA A 82 21.046 -9.262 -9.291 1.00 0.00 O ATOM 199 CB ALA A 82 18.074 -7.908 -9.403 1.00 0.00 C ATOM 0 H ALA A 82 17.150 -9.118 -7.470 1.00 0.00 H new ATOM 0 HA ALA A 82 18.650 -9.946 -9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.666 -7.529 -10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.051 -8.085 -9.735 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.072 -7.175 -8.597 1.00 0.00 H new ATOM 205 N GLY A 83 20.349 -8.534 -7.279 1.00 0.00 N ATOM 206 CA GLY A 83 21.698 -8.299 -6.800 1.00 0.00 C ATOM 207 C GLY A 83 22.437 -9.586 -6.493 1.00 0.00 C ATOM 208 O GLY A 83 23.514 -9.836 -7.035 1.00 0.00 O ATOM 0 H GLY A 83 19.612 -8.312 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.253 -7.735 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.659 -7.683 -5.902 1.00 0.00 H new ATOM 212 N VAL A 84 21.860 -10.405 -5.620 1.00 0.00 N ATOM 213 CA VAL A 84 22.471 -11.673 -5.242 1.00 0.00 C ATOM 214 C VAL A 84 22.765 -12.529 -6.468 1.00 0.00 C ATOM 215 O VAL A 84 23.873 -13.042 -6.629 1.00 0.00 O ATOM 216 CB VAL A 84 21.567 -12.467 -4.280 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.178 -13.825 -3.970 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.325 -11.678 -3.003 1.00 0.00 C ATOM 0 H VAL A 84 20.970 -10.213 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 84 23.407 -11.435 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 84 20.605 -12.631 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.525 -14.371 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.294 -14.391 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.154 -13.687 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.684 -12.254 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.278 -11.481 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.839 -10.733 -3.246 1.00 0.00 H new ATOM 228 N ILE A 85 21.766 -12.680 -7.332 1.00 0.00 N ATOM 229 CA ILE A 85 21.919 -13.472 -8.545 1.00 0.00 C ATOM 230 C ILE A 85 22.976 -12.871 -9.465 1.00 0.00 C ATOM 231 O ILE A 85 23.864 -13.572 -9.949 1.00 0.00 O ATOM 232 CB ILE A 85 20.590 -13.585 -9.315 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.563 -14.366 -8.491 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.813 -14.253 -10.663 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.939 -15.815 -8.274 1.00 0.00 C ATOM 0 H ILE A 85 20.842 -12.264 -7.214 1.00 0.00 H new ATOM 0 HA ILE A 85 22.235 -14.467 -8.233 1.00 0.00 H new ATOM 0 HB ILE A 85 20.202 -12.581 -9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.442 -13.881 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.596 -14.321 -8.993 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.864 -14.325 -11.195 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.514 -13.661 -11.251 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.221 -15.252 -10.511 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.167 -16.307 -7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.032 -16.315 -9.238 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.890 -15.869 -7.745 1.00 0.00 H new ATOM 247 N GLY A 86 22.875 -11.567 -9.701 1.00 0.00 N ATOM 248 CA GLY A 86 23.830 -10.892 -10.561 1.00 0.00 C ATOM 249 C GLY A 86 25.252 -11.003 -10.047 1.00 0.00 C ATOM 250 O GLY A 86 26.193 -11.148 -10.828 1.00 0.00 O ATOM 0 H GLY A 86 22.149 -10.965 -9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.775 -11.316 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.558 -9.840 -10.645 1.00 0.00 H new ATOM 254 N THR A 87 25.410 -10.933 -8.729 1.00 0.00 N ATOM 255 CA THR A 87 26.728 -11.024 -8.111 1.00 0.00 C ATOM 256 C THR A 87 27.324 -12.415 -8.290 1.00 0.00 C ATOM 257 O THR A 87 28.400 -12.570 -8.868 1.00 0.00 O ATOM 258 CB THR A 87 26.668 -10.692 -6.608 1.00 0.00 C ATOM 259 OG1 THR A 87 26.097 -9.393 -6.416 1.00 0.00 O ATOM 260 CG2 THR A 87 28.056 -10.739 -5.988 1.00 0.00 C ATOM 0 H THR A 87 24.642 -10.814 -8.069 1.00 0.00 H new ATOM 0 HA THR A 87 27.363 -10.293 -8.611 1.00 0.00 H new ATOM 0 HB THR A 87 26.043 -11.439 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.219 -9.354 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.989 -10.501 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.475 -11.738 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.700 -10.012 -6.482 1.00 0.00 H new ATOM 268 N ILE A 88 26.619 -13.425 -7.790 1.00 0.00 N ATOM 269 CA ILE A 88 27.078 -14.804 -7.897 1.00 0.00 C ATOM 270 C ILE A 88 27.372 -15.175 -9.346 1.00 0.00 C ATOM 271 O ILE A 88 28.337 -15.885 -9.634 1.00 0.00 O ATOM 272 CB ILE A 88 26.041 -15.789 -7.327 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.747 -15.462 -5.861 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.537 -17.220 -7.467 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.584 -16.242 -5.290 1.00 0.00 C ATOM 0 H ILE A 88 25.728 -13.314 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 88 27.995 -14.877 -7.313 1.00 0.00 H new ATOM 0 HB ILE A 88 25.116 -15.689 -7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.637 -15.665 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.539 -14.396 -5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.793 -17.904 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.701 -17.447 -8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.474 -17.335 -6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.433 -15.960 -4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.682 -16.020 -5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.798 -17.309 -5.349 1.00 0.00 H new ATOM 287 N LEU A 89 26.536 -14.688 -10.257 1.00 0.00 N ATOM 288 CA LEU A 89 26.707 -14.967 -11.679 1.00 0.00 C ATOM 289 C LEU A 89 28.011 -14.370 -12.198 1.00 0.00 C ATOM 290 O LEU A 89 28.850 -15.077 -12.758 1.00 0.00 O ATOM 291 CB LEU A 89 25.525 -14.408 -12.473 1.00 0.00 C ATOM 292 CG LEU A 89 24.307 -15.323 -12.597 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.129 -14.567 -13.193 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.641 -16.545 -13.441 1.00 0.00 C ATOM 0 H LEU A 89 25.733 -14.098 -10.036 1.00 0.00 H new ATOM 0 HA LEU A 89 26.747 -16.048 -11.810 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.208 -13.476 -12.006 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.872 -14.160 -13.476 1.00 0.00 H new ATOM 0 HG LEU A 89 24.028 -15.661 -11.599 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.271 -15.235 -13.274 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.874 -13.725 -12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.396 -14.199 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.762 -17.185 -13.518 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.947 -16.226 -14.438 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.454 -17.100 -12.972 1.00 0.00 H new ATOM 306 N LEU A 90 28.176 -13.066 -12.007 1.00 0.00 N ATOM 307 CA LEU A 90 29.380 -12.374 -12.454 1.00 0.00 C ATOM 308 C LEU A 90 30.631 -13.029 -11.876 1.00 0.00 C ATOM 309 O LEU A 90 31.578 -13.330 -12.604 1.00 0.00 O ATOM 310 CB LEU A 90 29.327 -10.901 -12.045 1.00 0.00 C ATOM 311 CG LEU A 90 30.044 -9.920 -12.973 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.378 -8.554 -12.924 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.516 -9.812 -12.600 1.00 0.00 C ATOM 0 H LEU A 90 27.492 -12.467 -11.546 1.00 0.00 H new ATOM 0 HA LEU A 90 29.426 -12.442 -13.541 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.281 -10.602 -11.972 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.756 -10.806 -11.048 1.00 0.00 H new ATOM 0 HG LEU A 90 29.975 -10.298 -13.993 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.902 -7.869 -13.591 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.339 -8.644 -13.241 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.415 -8.168 -11.905 1.00 0.00 H new ATOM 0 HD21 LEU A 90 32.011 -9.110 -13.271 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.606 -9.458 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.987 -10.791 -12.689 1.00 0.00 H new ATOM 325 N ILE A 91 30.626 -13.248 -10.566 1.00 0.00 N ATOM 326 CA ILE A 91 31.759 -13.870 -9.892 1.00 0.00 C ATOM 327 C ILE A 91 32.023 -15.269 -10.438 1.00 0.00 C ATOM 328 O ILE A 91 33.139 -15.586 -10.848 1.00 0.00 O ATOM 329 CB ILE A 91 31.530 -13.959 -8.372 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.343 -12.561 -7.779 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.694 -14.674 -7.702 1.00 0.00 C ATOM 332 CD1 ILE A 91 30.970 -12.571 -6.313 1.00 0.00 C ATOM 0 H ILE A 91 29.850 -13.004 -9.950 1.00 0.00 H new ATOM 0 HA ILE A 91 32.626 -13.238 -10.084 1.00 0.00 H new ATOM 0 HB ILE A 91 30.622 -14.534 -8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.265 -11.995 -7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.568 -12.038 -8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.517 -14.729 -6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.784 -15.682 -8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.616 -14.124 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 91 30.854 -11.546 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.032 -13.109 -6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 91 31.756 -13.065 -5.741 1.00 0.00 H new ATOM 344 N SER A 92 30.987 -16.102 -10.442 1.00 0.00 N ATOM 345 CA SER A 92 31.107 -17.468 -10.937 1.00 0.00 C ATOM 346 C SER A 92 31.417 -17.481 -12.431 1.00 0.00 C ATOM 347 O SER A 92 31.822 -18.503 -12.983 1.00 0.00 O ATOM 348 CB SER A 92 29.817 -18.246 -10.666 1.00 0.00 C ATOM 349 OG SER A 92 29.935 -19.593 -11.090 1.00 0.00 O ATOM 0 H SER A 92 30.056 -15.855 -10.108 1.00 0.00 H new ATOM 0 HA SER A 92 31.931 -17.948 -10.409 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.587 -18.216 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.985 -17.770 -11.185 1.00 0.00 H new ATOM 0 HG SER A 92 30.666 -19.669 -11.738 1.00 0.00 H new ATOM 355 N TYR A 93 31.223 -16.337 -13.078 1.00 0.00 N ATOM 356 CA TYR A 93 31.479 -16.215 -14.508 1.00 0.00 C ATOM 357 C TYR A 93 32.955 -16.441 -14.818 1.00 0.00 C ATOM 358 O TYR A 93 33.325 -16.731 -15.955 1.00 0.00 O ATOM 359 CB TYR A 93 31.046 -14.836 -15.009 1.00 0.00 C ATOM 360 CG TYR A 93 30.367 -14.869 -16.360 1.00 0.00 C ATOM 361 CD1 TYR A 93 29.185 -15.573 -16.549 1.00 0.00 C ATOM 362 CD2 TYR A 93 30.909 -14.194 -17.447 1.00 0.00 C ATOM 363 CE1 TYR A 93 28.562 -15.606 -17.782 1.00 0.00 C ATOM 364 CE2 TYR A 93 30.292 -14.220 -18.684 1.00 0.00 C ATOM 365 CZ TYR A 93 29.120 -14.928 -18.846 1.00 0.00 C ATOM 366 OH TYR A 93 28.502 -14.957 -20.075 1.00 0.00 O ATOM 0 H TYR A 93 30.889 -15.481 -12.635 1.00 0.00 H new ATOM 0 HA TYR A 93 30.897 -16.980 -15.022 1.00 0.00 H new ATOM 0 HB2 TYR A 93 30.367 -14.391 -14.281 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.921 -14.188 -15.067 1.00 0.00 H new ATOM 0 HD1 TYR A 93 28.745 -16.104 -15.718 1.00 0.00 H new ATOM 0 HD2 TYR A 93 31.828 -13.640 -17.323 1.00 0.00 H new ATOM 0 HE1 TYR A 93 27.644 -16.159 -17.912 1.00 0.00 H new ATOM 0 HE2 TYR A 93 30.726 -13.689 -19.518 1.00 0.00 H new ATOM 0 HH TYR A 93 29.023 -14.429 -20.715 1.00 0.00 H new ATOM 547 N LEU B 75 13.743 0.981 -1.315 1.00 0.00 N ATOM 548 CA LEU B 75 13.660 -0.462 -1.116 1.00 0.00 C ATOM 549 C LEU B 75 14.575 -1.199 -2.088 1.00 0.00 C ATOM 550 O LEU B 75 15.196 -2.201 -1.731 1.00 0.00 O ATOM 551 CB LEU B 75 12.217 -0.938 -1.295 1.00 0.00 C ATOM 552 CG LEU B 75 11.134 -0.042 -0.693 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.760 -0.665 -0.880 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.411 0.211 0.782 1.00 0.00 C ATOM 0 HA LEU B 75 13.986 -0.684 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.021 -1.044 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.126 -1.930 -0.854 1.00 0.00 H new ATOM 0 HG LEU B 75 11.150 0.915 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.003 -0.013 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.561 -0.794 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.730 -1.636 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.630 0.850 1.194 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.423 -0.738 1.318 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.378 0.702 0.892 1.00 0.00 H new ATOM 566 N ILE B 76 14.655 -0.696 -3.315 1.00 0.00 N ATOM 567 CA ILE B 76 15.498 -1.306 -4.336 1.00 0.00 C ATOM 568 C ILE B 76 16.974 -1.189 -3.973 1.00 0.00 C ATOM 569 O ILE B 76 17.739 -2.141 -4.131 1.00 0.00 O ATOM 570 CB ILE B 76 15.268 -0.659 -5.715 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.787 -0.730 -6.095 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.124 -1.343 -6.770 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.279 -2.141 -6.287 1.00 0.00 C ATOM 0 H ILE B 76 14.147 0.132 -3.626 1.00 0.00 H new ATOM 0 HA ILE B 76 15.221 -2.359 -4.386 1.00 0.00 H new ATOM 0 HB ILE B 76 15.560 0.390 -5.662 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.197 -0.243 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.629 -0.167 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE B 76 15.950 -0.875 -7.739 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.176 -1.246 -6.503 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.859 -2.399 -6.825 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.223 -2.114 -6.555 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.843 -2.625 -7.084 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.405 -2.702 -5.361 1.00 0.00 H new ATOM 585 N ILE B 77 17.366 -0.018 -3.483 1.00 0.00 N ATOM 586 CA ILE B 77 18.750 0.222 -3.094 1.00 0.00 C ATOM 587 C ILE B 77 19.143 -0.642 -1.900 1.00 0.00 C ATOM 588 O ILE B 77 20.097 -1.417 -1.968 1.00 0.00 O ATOM 589 CB ILE B 77 18.988 1.702 -2.743 1.00 0.00 C ATOM 590 CG1 ILE B 77 19.003 2.555 -4.014 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.293 1.862 -1.977 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.196 2.290 -4.905 1.00 0.00 C ATOM 0 H ILE B 77 16.745 0.779 -3.346 1.00 0.00 H new ATOM 0 HA ILE B 77 19.369 -0.043 -3.951 1.00 0.00 H new ATOM 0 HB ILE B 77 18.171 2.044 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.089 2.368 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.995 3.609 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.447 2.914 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.247 1.282 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.121 1.505 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE B 77 20.141 2.929 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.114 2.505 -4.358 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.194 1.245 -5.214 1.00 0.00 H new ATOM 604 N PHE B 78 18.400 -0.504 -0.807 1.00 0.00 N ATOM 605 CA PHE B 78 18.670 -1.272 0.402 1.00 0.00 C ATOM 606 C PHE B 78 18.561 -2.770 0.131 1.00 0.00 C ATOM 607 O PHE B 78 19.249 -3.576 0.756 1.00 0.00 O ATOM 608 CB PHE B 78 17.697 -0.872 1.514 1.00 0.00 C ATOM 609 CG PHE B 78 17.777 -1.754 2.727 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.015 -2.908 2.812 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.615 -1.429 3.781 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.087 -3.720 3.928 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.691 -2.238 4.900 1.00 0.00 C ATOM 614 CZ PHE B 78 17.926 -3.386 4.972 1.00 0.00 C ATOM 0 H PHE B 78 17.606 0.133 -0.734 1.00 0.00 H new ATOM 0 HA PHE B 78 19.688 -1.051 0.722 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.899 0.158 1.809 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.680 -0.898 1.123 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.358 -3.176 1.998 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.216 -0.533 3.728 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.487 -4.616 3.983 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.347 -1.973 5.716 1.00 0.00 H new ATOM 0 HZ PHE B 78 17.984 -4.021 5.844 1.00 0.00 H new ATOM 624 N GLY B 79 17.691 -3.134 -0.805 1.00 0.00 N ATOM 625 CA GLY B 79 17.507 -4.534 -1.143 1.00 0.00 C ATOM 626 C GLY B 79 18.714 -5.124 -1.844 1.00 0.00 C ATOM 627 O GLY B 79 19.368 -6.025 -1.318 1.00 0.00 O ATOM 0 H GLY B 79 17.110 -2.485 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.306 -5.101 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.632 -4.638 -1.784 1.00 0.00 H new ATOM 631 N VAL B 80 19.010 -4.618 -3.037 1.00 0.00 N ATOM 632 CA VAL B 80 20.146 -5.102 -3.812 1.00 0.00 C ATOM 633 C VAL B 80 21.442 -4.985 -3.019 1.00 0.00 C ATOM 634 O VAL B 80 22.327 -5.834 -3.128 1.00 0.00 O ATOM 635 CB VAL B 80 20.295 -4.326 -5.135 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.508 -4.817 -5.909 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.031 -4.453 -5.972 1.00 0.00 C ATOM 0 H VAL B 80 18.479 -3.873 -3.488 1.00 0.00 H new ATOM 0 HA VAL B 80 19.953 -6.151 -4.035 1.00 0.00 H new ATOM 0 HB VAL B 80 20.445 -3.272 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.597 -4.257 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.406 -4.669 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.392 -5.877 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.154 -3.899 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.847 -5.504 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.185 -4.047 -5.417 1.00 0.00 H new ATOM 647 N MET B 81 21.548 -3.929 -2.220 1.00 0.00 N ATOM 648 CA MET B 81 22.736 -3.702 -1.406 1.00 0.00 C ATOM 649 C MET B 81 22.888 -4.792 -0.350 1.00 0.00 C ATOM 650 O MET B 81 23.970 -5.351 -0.172 1.00 0.00 O ATOM 651 CB MET B 81 22.665 -2.330 -0.733 1.00 0.00 C ATOM 652 CG MET B 81 23.078 -1.184 -1.643 1.00 0.00 C ATOM 653 SD MET B 81 24.834 -0.797 -1.519 1.00 0.00 S ATOM 654 CE MET B 81 24.774 0.793 -0.697 1.00 0.00 C ATOM 0 H MET B 81 20.825 -3.216 -2.119 1.00 0.00 H new ATOM 0 HA MET B 81 23.606 -3.732 -2.062 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.647 -2.158 -0.385 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.307 -2.333 0.148 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.838 -1.440 -2.675 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.496 -0.297 -1.391 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.788 1.165 -0.549 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.215 1.499 -1.311 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.283 0.684 0.270 1.00 0.00 H new ATOM 664 N ALA B 82 21.797 -5.089 0.349 1.00 0.00 N ATOM 665 CA ALA B 82 21.809 -6.114 1.385 1.00 0.00 C ATOM 666 C ALA B 82 22.136 -7.483 0.800 1.00 0.00 C ATOM 667 O ALA B 82 22.854 -8.275 1.410 1.00 0.00 O ATOM 668 CB ALA B 82 20.470 -6.152 2.106 1.00 0.00 C ATOM 0 H ALA B 82 20.894 -4.634 0.216 1.00 0.00 H new ATOM 0 HA ALA B 82 22.589 -5.860 2.103 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.494 -6.922 2.877 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.277 -5.183 2.567 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.678 -6.378 1.392 1.00 0.00 H new ATOM 674 N GLY B 83 21.604 -7.757 -0.387 1.00 0.00 N ATOM 675 CA GLY B 83 21.850 -9.032 -1.034 1.00 0.00 C ATOM 676 C GLY B 83 23.259 -9.142 -1.583 1.00 0.00 C ATOM 677 O GLY B 83 23.999 -10.062 -1.234 1.00 0.00 O ATOM 0 H GLY B 83 21.007 -7.118 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.678 -9.837 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.136 -9.168 -1.846 1.00 0.00 H new ATOM 681 N VAL B 84 23.632 -8.201 -2.445 1.00 0.00 N ATOM 682 CA VAL B 84 24.961 -8.196 -3.043 1.00 0.00 C ATOM 683 C VAL B 84 26.046 -8.221 -1.972 1.00 0.00 C ATOM 684 O VAL B 84 26.974 -9.028 -2.032 1.00 0.00 O ATOM 685 CB VAL B 84 25.169 -6.961 -3.940 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.588 -6.930 -4.486 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.153 -6.949 -5.072 1.00 0.00 C ATOM 0 H VAL B 84 23.032 -7.432 -2.744 1.00 0.00 H new ATOM 0 HA VAL B 84 25.036 -9.096 -3.654 1.00 0.00 H new ATOM 0 HB VAL B 84 25.018 -6.066 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.716 -6.051 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.296 -6.888 -3.658 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.771 -7.829 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.314 -6.070 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.270 -7.849 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.146 -6.919 -4.657 1.00 0.00 H new ATOM 697 N ILE B 85 25.923 -7.331 -0.993 1.00 0.00 N ATOM 698 CA ILE B 85 26.892 -7.252 0.093 1.00 0.00 C ATOM 699 C ILE B 85 26.913 -8.541 0.906 1.00 0.00 C ATOM 700 O ILE B 85 27.974 -9.109 1.163 1.00 0.00 O ATOM 701 CB ILE B 85 26.590 -6.070 1.032 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.758 -4.743 0.289 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.497 -6.118 2.253 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.181 -4.468 -0.143 1.00 0.00 C ATOM 0 H ILE B 85 25.162 -6.655 -0.930 1.00 0.00 H new ATOM 0 HA ILE B 85 27.869 -7.100 -0.366 1.00 0.00 H new ATOM 0 HB ILE B 85 25.556 -6.148 1.368 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.114 -4.744 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.419 -3.931 0.932 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.271 -5.276 2.907 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.332 -7.051 2.792 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.538 -6.062 1.935 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.225 -3.511 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.827 -4.434 0.734 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.518 -5.260 -0.812 1.00 0.00 H new ATOM 716 N GLY B 86 25.732 -8.999 1.309 1.00 0.00 N ATOM 717 CA GLY B 86 25.636 -10.220 2.088 1.00 0.00 C ATOM 718 C GLY B 86 26.198 -11.422 1.355 1.00 0.00 C ATOM 719 O GLY B 86 26.787 -12.314 1.967 1.00 0.00 O ATOM 0 H GLY B 86 24.840 -8.546 1.110 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.171 -10.090 3.029 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.592 -10.407 2.338 1.00 0.00 H new ATOM 723 N THR B 87 26.015 -11.448 0.038 1.00 0.00 N ATOM 724 CA THR B 87 26.505 -12.550 -0.779 1.00 0.00 C ATOM 725 C THR B 87 28.029 -12.557 -0.838 1.00 0.00 C ATOM 726 O THR B 87 28.670 -13.534 -0.450 1.00 0.00 O ATOM 727 CB THR B 87 25.948 -12.477 -2.214 1.00 0.00 C ATOM 728 OG1 THR B 87 24.518 -12.528 -2.187 1.00 0.00 O ATOM 729 CG2 THR B 87 26.486 -13.619 -3.062 1.00 0.00 C ATOM 0 H THR B 87 25.531 -10.718 -0.485 1.00 0.00 H new ATOM 0 HA THR B 87 26.158 -13.470 -0.308 1.00 0.00 H new ATOM 0 HB THR B 87 26.269 -11.534 -2.658 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.175 -11.792 -1.639 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.079 -13.546 -4.071 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.574 -13.560 -3.104 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.192 -14.571 -2.620 1.00 0.00 H new ATOM 737 N ILE B 88 28.602 -11.461 -1.323 1.00 0.00 N ATOM 738 CA ILE B 88 30.051 -11.341 -1.430 1.00 0.00 C ATOM 739 C ILE B 88 30.722 -11.567 -0.079 1.00 0.00 C ATOM 740 O ILE B 88 31.788 -12.179 0.002 1.00 0.00 O ATOM 741 CB ILE B 88 30.463 -9.958 -1.970 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.826 -9.711 -3.339 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.978 -9.854 -2.058 1.00 0.00 C ATOM 744 CD1 ILE B 88 30.112 -8.335 -3.899 1.00 0.00 C ATOM 0 H ILE B 88 28.086 -10.644 -1.648 1.00 0.00 H new ATOM 0 HA ILE B 88 30.381 -12.108 -2.130 1.00 0.00 H new ATOM 0 HB ILE B 88 30.105 -9.193 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.189 -10.462 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.747 -9.845 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.254 -8.871 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.410 -9.991 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.357 -10.625 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.630 -8.230 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.725 -7.577 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.188 -8.205 -4.012 1.00 0.00 H new ATOM 756 N LEU B 89 30.091 -11.072 0.979 1.00 0.00 N ATOM 757 CA LEU B 89 30.626 -11.221 2.328 1.00 0.00 C ATOM 758 C LEU B 89 30.645 -12.688 2.747 1.00 0.00 C ATOM 759 O LEU B 89 31.682 -13.215 3.154 1.00 0.00 O ATOM 760 CB LEU B 89 29.794 -10.407 3.321 1.00 0.00 C ATOM 761 CG LEU B 89 30.069 -8.904 3.353 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.096 -8.202 4.287 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.506 -8.633 3.776 1.00 0.00 C ATOM 0 H LEU B 89 29.208 -10.564 0.929 1.00 0.00 H new ATOM 0 HA LEU B 89 31.650 -10.848 2.329 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.739 -10.558 3.090 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.963 -10.808 4.320 1.00 0.00 H new ATOM 0 HG LEU B 89 29.926 -8.507 2.348 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.308 -7.133 4.296 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.076 -8.367 3.940 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.206 -8.602 5.295 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.684 -7.558 3.793 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.676 -9.045 4.771 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.189 -9.102 3.067 1.00 0.00 H new ATOM 775 N LEU B 90 29.495 -13.343 2.641 1.00 0.00 N ATOM 776 CA LEU B 90 29.379 -14.751 3.007 1.00 0.00 C ATOM 777 C LEU B 90 30.401 -15.595 2.251 1.00 0.00 C ATOM 778 O LEU B 90 31.115 -16.402 2.846 1.00 0.00 O ATOM 779 CB LEU B 90 27.966 -15.260 2.717 1.00 0.00 C ATOM 780 CG LEU B 90 27.457 -16.381 3.624 1.00 0.00 C ATOM 781 CD1 LEU B 90 25.995 -16.681 3.331 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.306 -17.632 3.452 1.00 0.00 C ATOM 0 H LEU B 90 28.629 -12.922 2.305 1.00 0.00 H new ATOM 0 HA LEU B 90 29.578 -14.841 4.075 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.276 -14.419 2.790 1.00 0.00 H new ATOM 0 HB3 LEU B 90 27.932 -15.611 1.686 1.00 0.00 H new ATOM 0 HG LEU B 90 27.538 -16.051 4.660 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.649 -17.481 3.986 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.398 -15.786 3.506 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.888 -16.991 2.292 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.930 -18.420 4.105 1.00 0.00 H new ATOM 0 HD22 LEU B 90 28.257 -17.965 2.415 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.341 -17.408 3.712 1.00 0.00 H new ATOM 794 N ILE B 91 30.465 -15.401 0.938 1.00 0.00 N ATOM 795 CA ILE B 91 31.401 -16.142 0.102 1.00 0.00 C ATOM 796 C ILE B 91 32.845 -15.799 0.456 1.00 0.00 C ATOM 797 O ILE B 91 33.638 -16.679 0.790 1.00 0.00 O ATOM 798 CB ILE B 91 31.170 -15.855 -1.393 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.743 -16.238 -1.794 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.184 -16.609 -2.241 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.432 -15.970 -3.249 1.00 0.00 C ATOM 0 H ILE B 91 29.880 -14.737 0.431 1.00 0.00 H new ATOM 0 HA ILE B 91 31.224 -17.200 0.292 1.00 0.00 H new ATOM 0 HB ILE B 91 31.303 -14.787 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.588 -17.297 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.039 -15.685 -1.172 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.007 -16.396 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.191 -16.293 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.081 -17.680 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.405 -16.265 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.555 -14.907 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.112 -16.544 -3.878 1.00 0.00 H new ATOM 813 N SER B 92 33.177 -14.514 0.383 1.00 0.00 N ATOM 814 CA SER B 92 34.525 -14.055 0.694 1.00 0.00 C ATOM 815 C SER B 92 34.944 -14.505 2.090 1.00 0.00 C ATOM 816 O SER B 92 36.133 -14.638 2.381 1.00 0.00 O ATOM 817 CB SER B 92 34.603 -12.530 0.593 1.00 0.00 C ATOM 818 OG SER B 92 35.849 -12.051 1.070 1.00 0.00 O ATOM 0 H SER B 92 32.531 -13.773 0.111 1.00 0.00 H new ATOM 0 HA SER B 92 35.209 -14.496 -0.031 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.465 -12.223 -0.444 1.00 0.00 H new ATOM 0 HB3 SER B 92 33.793 -12.082 1.169 1.00 0.00 H new ATOM 0 HG SER B 92 35.875 -11.074 0.994 1.00 0.00 H new ATOM 824 N TYR B 93 33.959 -14.739 2.950 1.00 0.00 N ATOM 825 CA TYR B 93 34.224 -15.172 4.317 1.00 0.00 C ATOM 826 C TYR B 93 34.772 -16.596 4.340 1.00 0.00 C ATOM 827 O TYR B 93 35.811 -16.863 4.942 1.00 0.00 O ATOM 828 CB TYR B 93 32.947 -15.091 5.156 1.00 0.00 C ATOM 829 CG TYR B 93 33.163 -15.412 6.618 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.126 -16.724 7.074 1.00 0.00 C ATOM 831 CD2 TYR B 93 33.401 -14.404 7.543 1.00 0.00 C ATOM 832 CE1 TYR B 93 33.321 -17.023 8.408 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.599 -14.693 8.879 1.00 0.00 C ATOM 834 CZ TYR B 93 33.558 -16.003 9.307 1.00 0.00 C ATOM 835 OH TYR B 93 33.753 -16.295 10.638 1.00 0.00 O ATOM 0 H TYR B 93 32.970 -14.636 2.725 1.00 0.00 H new ATOM 0 HA TYR B 93 34.974 -14.506 4.744 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.529 -14.088 5.071 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.209 -15.780 4.746 1.00 0.00 H new ATOM 0 HD1 TYR B 93 32.941 -17.524 6.373 1.00 0.00 H new ATOM 0 HD2 TYR B 93 33.432 -13.376 7.212 1.00 0.00 H new ATOM 0 HE1 TYR B 93 33.288 -18.048 8.746 1.00 0.00 H new ATOM 0 HE2 TYR B 93 33.785 -13.897 9.585 1.00 0.00 H new ATOM 0 HH TYR B 93 33.908 -15.465 11.136 1.00 0.00 H new