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= -0.962! USER MOD Single : A 92 SER OG : rot -29:sc= 0.587 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 71:sc= 0.00635 USER MOD Single : B 92 SER OG : rot 86:sc= 0.991 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.512 -4.914 -4.339 1.00 0.00 N ATOM 79 CA LEU A 75 10.770 -4.260 -4.684 1.00 0.00 C ATOM 80 C LEU A 75 11.939 -4.907 -3.949 1.00 0.00 C ATOM 81 O LEU A 75 13.032 -5.046 -4.500 1.00 0.00 O ATOM 82 CB LEU A 75 10.702 -2.770 -4.346 1.00 0.00 C ATOM 83 CG LEU A 75 9.487 -2.014 -4.885 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.120 -0.864 -3.960 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.758 -1.503 -6.292 1.00 0.00 C ATOM 0 HA LEU A 75 10.930 -4.376 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.720 -2.663 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.603 -2.290 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 75 8.644 -2.703 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.253 -0.338 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.883 -1.255 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.961 -0.174 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.883 -0.968 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.615 -0.830 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.971 -2.345 -6.950 1.00 0.00 H new ATOM 97 N ILE A 76 11.702 -5.303 -2.703 1.00 0.00 N ATOM 98 CA ILE A 76 12.734 -5.938 -1.893 1.00 0.00 C ATOM 99 C ILE A 76 13.116 -7.301 -2.461 1.00 0.00 C ATOM 100 O ILE A 76 14.293 -7.662 -2.498 1.00 0.00 O ATOM 101 CB ILE A 76 12.278 -6.112 -0.433 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.848 -4.765 0.154 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.391 -6.728 0.401 1.00 0.00 C ATOM 104 CD1 ILE A 76 11.102 -4.887 1.464 1.00 0.00 C ATOM 0 H ILE A 76 10.804 -5.195 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 76 13.603 -5.280 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 76 11.422 -6.786 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.732 -4.145 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.216 -4.248 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.052 -6.844 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.654 -7.704 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.265 -6.078 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.829 -3.894 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.200 -5.480 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.739 -5.375 2.202 1.00 0.00 H new ATOM 116 N ILE A 77 12.114 -8.054 -2.902 1.00 0.00 N ATOM 117 CA ILE A 77 12.345 -9.376 -3.470 1.00 0.00 C ATOM 118 C ILE A 77 13.121 -9.284 -4.780 1.00 0.00 C ATOM 119 O ILE A 77 14.205 -9.852 -4.913 1.00 0.00 O ATOM 120 CB ILE A 77 11.020 -10.119 -3.723 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.328 -10.439 -2.397 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.270 -11.393 -4.517 1.00 0.00 C ATOM 123 CD1 ILE A 77 8.827 -10.584 -2.517 1.00 0.00 C ATOM 0 H ILE A 77 11.134 -7.771 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 77 12.932 -9.934 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 77 10.364 -9.473 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.743 -11.363 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.552 -9.649 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.324 -11.907 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.724 -11.141 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.941 -12.045 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.404 -10.810 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.400 -9.653 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.594 -11.393 -3.209 1.00 0.00 H new ATOM 135 N PHE A 78 12.559 -8.562 -5.744 1.00 0.00 N ATOM 136 CA PHE A 78 13.199 -8.394 -7.044 1.00 0.00 C ATOM 137 C PHE A 78 14.557 -7.714 -6.898 1.00 0.00 C ATOM 138 O PHE A 78 15.473 -7.959 -7.682 1.00 0.00 O ATOM 139 CB PHE A 78 12.303 -7.574 -7.975 1.00 0.00 C ATOM 140 CG PHE A 78 12.971 -7.187 -9.263 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.713 -6.021 -9.352 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.857 -7.991 -10.386 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.329 -5.662 -10.536 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.472 -7.638 -11.573 1.00 0.00 C ATOM 145 CZ PHE A 78 14.208 -6.472 -11.648 1.00 0.00 C ATOM 0 H PHE A 78 11.663 -8.084 -5.650 1.00 0.00 H new ATOM 0 HA PHE A 78 13.352 -9.383 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.404 -8.148 -8.200 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.983 -6.671 -7.455 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.812 -5.384 -8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.281 -8.903 -10.333 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.904 -4.750 -10.592 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.377 -8.274 -12.441 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.688 -6.194 -12.575 1.00 0.00 H new ATOM 155 N GLY A 79 14.678 -6.858 -5.888 1.00 0.00 N ATOM 156 CA GLY A 79 15.927 -6.156 -5.657 1.00 0.00 C ATOM 157 C GLY A 79 17.035 -7.079 -5.191 1.00 0.00 C ATOM 158 O GLY A 79 18.034 -7.262 -5.886 1.00 0.00 O ATOM 0 H GLY A 79 13.934 -6.638 -5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.236 -5.659 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.770 -5.377 -4.911 1.00 0.00 H new ATOM 162 N VAL A 80 16.859 -7.664 -4.010 1.00 0.00 N ATOM 163 CA VAL A 80 17.852 -8.573 -3.452 1.00 0.00 C ATOM 164 C VAL A 80 18.137 -9.729 -4.405 1.00 0.00 C ATOM 165 O VAL A 80 19.270 -10.198 -4.507 1.00 0.00 O ATOM 166 CB VAL A 80 17.393 -9.142 -2.096 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.486 -10.002 -1.480 1.00 0.00 C ATOM 168 CG2 VAL A 80 16.994 -8.016 -1.154 1.00 0.00 C ATOM 0 H VAL A 80 16.038 -7.524 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 80 18.764 -7.994 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 80 16.519 -9.772 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.144 -10.395 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.719 -10.830 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.380 -9.398 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.672 -8.436 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.848 -7.358 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.176 -7.446 -1.594 1.00 0.00 H new ATOM 178 N MET A 81 17.100 -10.182 -5.103 1.00 0.00 N ATOM 179 CA MET A 81 17.239 -11.282 -6.050 1.00 0.00 C ATOM 180 C MET A 81 18.134 -10.883 -7.219 1.00 0.00 C ATOM 181 O MET A 81 19.033 -11.627 -7.607 1.00 0.00 O ATOM 182 CB MET A 81 15.866 -11.714 -6.568 1.00 0.00 C ATOM 183 CG MET A 81 15.119 -12.632 -5.614 1.00 0.00 C ATOM 184 SD MET A 81 15.192 -14.363 -6.115 1.00 0.00 S ATOM 185 CE MET A 81 15.729 -15.134 -4.590 1.00 0.00 C ATOM 0 H MET A 81 16.155 -9.804 -5.030 1.00 0.00 H new ATOM 0 HA MET A 81 17.703 -12.120 -5.530 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.261 -10.827 -6.754 1.00 0.00 H new ATOM 0 HB3 MET A 81 15.991 -12.221 -7.525 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.539 -12.529 -4.614 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.077 -12.318 -5.556 1.00 0.00 H new ATOM 0 HE1 MET A 81 15.821 -16.210 -4.739 1.00 0.00 H new ATOM 0 HE2 MET A 81 16.695 -14.724 -4.296 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.998 -14.938 -3.806 1.00 0.00 H new ATOM 195 N ALA A 82 17.880 -9.703 -7.777 1.00 0.00 N ATOM 196 CA ALA A 82 18.663 -9.205 -8.900 1.00 0.00 C ATOM 197 C ALA A 82 20.122 -9.002 -8.505 1.00 0.00 C ATOM 198 O ALA A 82 21.032 -9.286 -9.284 1.00 0.00 O ATOM 199 CB ALA A 82 18.070 -7.904 -9.422 1.00 0.00 C ATOM 0 H ALA A 82 17.138 -9.075 -7.469 1.00 0.00 H new ATOM 0 HA ALA A 82 18.629 -9.951 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.665 -7.544 -10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.046 -8.078 -9.752 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.074 -7.158 -8.627 1.00 0.00 H new ATOM 205 N GLY A 83 20.338 -8.507 -7.290 1.00 0.00 N ATOM 206 CA GLY A 83 21.689 -8.274 -6.813 1.00 0.00 C ATOM 207 C GLY A 83 22.418 -9.561 -6.483 1.00 0.00 C ATOM 208 O GLY A 83 23.492 -9.831 -7.022 1.00 0.00 O ATOM 0 H GLY A 83 19.602 -8.263 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.249 -7.727 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.654 -7.642 -5.925 1.00 0.00 H new ATOM 212 N VAL A 84 21.835 -10.358 -5.594 1.00 0.00 N ATOM 213 CA VAL A 84 22.436 -11.624 -5.192 1.00 0.00 C ATOM 214 C VAL A 84 22.717 -12.508 -6.402 1.00 0.00 C ATOM 215 O VAL A 84 23.825 -13.019 -6.566 1.00 0.00 O ATOM 216 CB VAL A 84 21.529 -12.390 -4.210 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.136 -13.741 -3.864 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.289 -11.566 -2.954 1.00 0.00 C ATOM 0 H VAL A 84 20.947 -10.149 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 84 23.376 -11.384 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 84 20.567 -12.565 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.481 -14.267 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.251 -14.332 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.112 -13.594 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.646 -12.122 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.242 -11.358 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.806 -10.626 -3.222 1.00 0.00 H new ATOM 228 N ILE A 85 21.706 -12.684 -7.246 1.00 0.00 N ATOM 229 CA ILE A 85 21.845 -13.505 -8.443 1.00 0.00 C ATOM 230 C ILE A 85 22.908 -12.938 -9.378 1.00 0.00 C ATOM 231 O ILE A 85 23.786 -13.661 -9.847 1.00 0.00 O ATOM 232 CB ILE A 85 20.513 -13.617 -9.206 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.481 -14.374 -8.368 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.726 -14.309 -10.545 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.852 -15.819 -8.113 1.00 0.00 C ATOM 0 H ILE A 85 20.782 -12.269 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 85 22.149 -14.498 -8.111 1.00 0.00 H new ATOM 0 HB ILE A 85 20.134 -12.612 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.357 -13.865 -7.412 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.517 -14.339 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.775 -14.381 -11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.431 -13.733 -11.144 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.125 -15.310 -10.378 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.075 -16.294 -7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 85 19.947 -16.343 -9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.801 -15.862 -7.578 1.00 0.00 H new ATOM 247 N GLY A 86 22.823 -11.638 -9.643 1.00 0.00 N ATOM 248 CA GLY A 86 23.785 -10.995 -10.520 1.00 0.00 C ATOM 249 C GLY A 86 25.206 -11.111 -10.005 1.00 0.00 C ATOM 250 O GLY A 86 26.141 -11.317 -10.780 1.00 0.00 O ATOM 0 H GLY A 86 22.106 -11.019 -9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.724 -11.442 -11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.526 -9.942 -10.629 1.00 0.00 H new ATOM 254 N THR A 87 25.372 -10.977 -8.693 1.00 0.00 N ATOM 255 CA THR A 87 26.689 -11.065 -8.076 1.00 0.00 C ATOM 256 C THR A 87 27.280 -12.461 -8.238 1.00 0.00 C ATOM 257 O THR A 87 28.362 -12.626 -8.802 1.00 0.00 O ATOM 258 CB THR A 87 26.632 -10.715 -6.577 1.00 0.00 C ATOM 259 OG1 THR A 87 26.077 -9.406 -6.401 1.00 0.00 O ATOM 260 CG2 THR A 87 28.019 -10.771 -5.955 1.00 0.00 C ATOM 0 H THR A 87 24.610 -10.807 -8.037 1.00 0.00 H new ATOM 0 HA THR A 87 27.326 -10.342 -8.586 1.00 0.00 H new ATOM 0 HB THR A 87 25.998 -11.448 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.194 -9.366 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.953 -10.520 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.427 -11.776 -6.065 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.672 -10.057 -6.457 1.00 0.00 H new ATOM 268 N ILE A 88 26.563 -13.463 -7.740 1.00 0.00 N ATOM 269 CA ILE A 88 27.017 -14.845 -7.831 1.00 0.00 C ATOM 270 C ILE A 88 27.324 -15.229 -9.275 1.00 0.00 C ATOM 271 O ILE A 88 28.326 -15.889 -9.553 1.00 0.00 O ATOM 272 CB ILE A 88 25.967 -15.821 -7.265 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.665 -15.487 -5.803 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.453 -17.256 -7.397 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.510 -16.277 -5.229 1.00 0.00 C ATOM 0 H ILE A 88 25.666 -13.344 -7.270 1.00 0.00 H new ATOM 0 HA ILE A 88 27.928 -14.918 -7.236 1.00 0.00 H new ATOM 0 HB ILE A 88 25.047 -15.716 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.556 -15.675 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.444 -14.423 -5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.701 -17.934 -6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.623 -17.487 -8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.385 -17.377 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.353 -15.989 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.607 -16.071 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.737 -17.342 -5.280 1.00 0.00 H new ATOM 287 N LEU A 89 26.458 -14.809 -10.190 1.00 0.00 N ATOM 288 CA LEU A 89 26.637 -15.106 -11.607 1.00 0.00 C ATOM 289 C LEU A 89 27.955 -14.535 -12.120 1.00 0.00 C ATOM 290 O LEU A 89 28.780 -15.257 -12.682 1.00 0.00 O ATOM 291 CB LEU A 89 25.472 -14.538 -12.419 1.00 0.00 C ATOM 292 CG LEU A 89 24.244 -15.440 -12.551 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.033 -14.631 -12.991 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.516 -16.572 -13.530 1.00 0.00 C ATOM 0 H LEU A 89 25.624 -14.261 -9.976 1.00 0.00 H new ATOM 0 HA LEU A 89 26.660 -16.189 -11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.161 -13.599 -11.962 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.834 -14.301 -13.420 1.00 0.00 H new ATOM 0 HG LEU A 89 24.030 -15.875 -11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.169 -15.289 -13.080 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.825 -13.856 -12.253 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.236 -14.167 -13.956 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.631 -17.203 -13.611 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.756 -16.157 -14.509 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.356 -17.168 -13.173 1.00 0.00 H new ATOM 306 N LEU A 90 28.149 -13.236 -11.922 1.00 0.00 N ATOM 307 CA LEU A 90 29.368 -12.568 -12.362 1.00 0.00 C ATOM 308 C LEU A 90 30.602 -13.237 -11.765 1.00 0.00 C ATOM 309 O LEU A 90 31.542 -13.581 -12.482 1.00 0.00 O ATOM 310 CB LEU A 90 29.334 -11.090 -11.969 1.00 0.00 C ATOM 311 CG LEU A 90 30.074 -10.130 -12.901 1.00 0.00 C ATOM 312 CD1 LEU A 90 31.565 -10.428 -12.901 1.00 0.00 C ATOM 313 CD2 LEU A 90 29.511 -10.218 -14.312 1.00 0.00 C ATOM 0 H LEU A 90 27.477 -12.624 -11.459 1.00 0.00 H new ATOM 0 HA LEU A 90 29.424 -12.647 -13.448 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.292 -10.775 -11.908 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.756 -10.991 -10.969 1.00 0.00 H new ATOM 0 HG LEU A 90 29.928 -9.114 -12.535 1.00 0.00 H new ATOM 0 HD11 LEU A 90 32.075 -9.735 -13.570 1.00 0.00 H new ATOM 0 HD12 LEU A 90 31.959 -10.314 -11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 90 31.732 -11.450 -13.242 1.00 0.00 H new ATOM 0 HD21 LEU A 90 30.049 -9.528 -14.962 1.00 0.00 H new ATOM 0 HD22 LEU A 90 29.626 -11.235 -14.687 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.454 -9.954 -14.299 1.00 0.00 H new ATOM 325 N ILE A 91 30.591 -13.420 -10.449 1.00 0.00 N ATOM 326 CA ILE A 91 31.707 -14.051 -9.757 1.00 0.00 C ATOM 327 C ILE A 91 31.987 -15.441 -10.317 1.00 0.00 C ATOM 328 O ILE A 91 33.083 -15.715 -10.806 1.00 0.00 O ATOM 329 CB ILE A 91 31.440 -14.164 -8.244 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.788 -12.849 -7.543 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.238 -15.315 -7.650 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.453 -11.621 -8.360 1.00 0.00 C ATOM 0 H ILE A 91 29.821 -13.140 -9.841 1.00 0.00 H new ATOM 0 HA ILE A 91 32.578 -13.415 -9.918 1.00 0.00 H new ATOM 0 HB ILE A 91 30.380 -14.366 -8.091 1.00 0.00 H new ATOM 0 HG12 ILE A 91 31.254 -12.800 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 91 32.853 -12.841 -7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.039 -15.382 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 91 31.946 -16.248 -8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.302 -15.141 -7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.727 -10.726 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 91 32.007 -11.646 -9.298 1.00 0.00 H new ATOM 0 HD13 ILE A 91 30.384 -11.605 -8.570 1.00 0.00 H new ATOM 344 N SER A 92 30.988 -16.315 -10.244 1.00 0.00 N ATOM 345 CA SER A 92 31.127 -17.678 -10.743 1.00 0.00 C ATOM 346 C SER A 92 31.601 -17.681 -12.193 1.00 0.00 C ATOM 347 O SER A 92 32.277 -18.610 -12.635 1.00 0.00 O ATOM 348 CB SER A 92 29.796 -18.424 -10.629 1.00 0.00 C ATOM 349 OG SER A 92 28.846 -17.916 -11.550 1.00 0.00 O ATOM 0 H SER A 92 30.074 -16.103 -9.844 1.00 0.00 H new ATOM 0 HA SER A 92 31.874 -18.186 -10.134 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.954 -19.487 -10.814 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.409 -18.331 -9.614 1.00 0.00 H new ATOM 0 HG SER A 92 29.035 -16.971 -11.727 1.00 0.00 H new ATOM 355 N TYR A 93 31.242 -16.634 -12.928 1.00 0.00 N ATOM 356 CA TYR A 93 31.628 -16.515 -14.329 1.00 0.00 C ATOM 357 C TYR A 93 33.141 -16.381 -14.468 1.00 0.00 C ATOM 358 O TYR A 93 33.755 -17.005 -15.333 1.00 0.00 O ATOM 359 CB TYR A 93 30.937 -15.311 -14.970 1.00 0.00 C ATOM 360 CG TYR A 93 30.995 -15.312 -16.481 1.00 0.00 C ATOM 361 CD1 TYR A 93 30.033 -15.978 -17.231 1.00 0.00 C ATOM 362 CD2 TYR A 93 32.011 -14.649 -17.158 1.00 0.00 C ATOM 363 CE1 TYR A 93 30.082 -15.983 -18.612 1.00 0.00 C ATOM 364 CE2 TYR A 93 32.067 -14.648 -18.538 1.00 0.00 C ATOM 365 CZ TYR A 93 31.101 -15.316 -19.260 1.00 0.00 C ATOM 366 OH TYR A 93 31.154 -15.318 -20.636 1.00 0.00 O ATOM 0 H TYR A 93 30.684 -15.856 -12.577 1.00 0.00 H new ATOM 0 HA TYR A 93 31.313 -17.423 -14.844 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.894 -15.292 -14.655 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.399 -14.397 -14.598 1.00 0.00 H new ATOM 0 HD1 TYR A 93 29.234 -16.500 -16.726 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.770 -14.125 -16.596 1.00 0.00 H new ATOM 0 HE1 TYR A 93 29.327 -16.506 -19.181 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.863 -14.127 -19.049 1.00 0.00 H new ATOM 0 HH TYR A 93 31.932 -14.802 -20.934 1.00 0.00 H new ATOM 547 N LEU B 75 13.733 0.849 -0.991 1.00 0.00 N ATOM 548 CA LEU B 75 13.721 -0.592 -0.767 1.00 0.00 C ATOM 549 C LEU B 75 14.598 -1.309 -1.789 1.00 0.00 C ATOM 550 O LEU B 75 15.259 -2.297 -1.470 1.00 0.00 O ATOM 551 CB LEU B 75 12.291 -1.129 -0.839 1.00 0.00 C ATOM 552 CG LEU B 75 11.257 -0.402 0.022 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.874 -0.507 -0.601 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.252 -0.964 1.436 1.00 0.00 C ATOM 0 HA LEU B 75 14.123 -0.783 0.228 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.962 -1.090 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.303 -2.179 -0.547 1.00 0.00 H new ATOM 0 HG LEU B 75 11.530 0.652 0.072 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.152 0.016 0.026 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.887 -0.056 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.590 -1.556 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.511 -0.435 2.035 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.004 -2.025 1.405 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.238 -0.835 1.882 1.00 0.00 H new ATOM 566 N ILE B 76 14.598 -0.804 -3.018 1.00 0.00 N ATOM 567 CA ILE B 76 15.395 -1.394 -4.086 1.00 0.00 C ATOM 568 C ILE B 76 16.886 -1.268 -3.793 1.00 0.00 C ATOM 569 O ILE B 76 17.648 -2.218 -3.977 1.00 0.00 O ATOM 570 CB ILE B 76 15.093 -0.735 -5.445 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.604 -0.855 -5.775 1.00 0.00 C ATOM 572 CG2 ILE B 76 15.937 -1.369 -6.540 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.143 0.109 -6.845 1.00 0.00 C ATOM 0 H ILE B 76 14.055 0.012 -3.299 1.00 0.00 H new ATOM 0 HA ILE B 76 15.124 -2.449 -4.135 1.00 0.00 H new ATOM 0 HB ILE B 76 15.348 0.323 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.393 -1.874 -6.100 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.024 -0.683 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE B 76 15.712 -0.893 -7.494 1.00 0.00 H new ATOM 0 HG22 ILE B 76 16.994 -1.236 -6.308 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.711 -2.433 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.078 -0.032 -7.028 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.322 1.132 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.697 -0.077 -7.765 1.00 0.00 H new ATOM 585 N ILE B 77 17.296 -0.090 -3.334 1.00 0.00 N ATOM 586 CA ILE B 77 18.695 0.159 -3.012 1.00 0.00 C ATOM 587 C ILE B 77 19.148 -0.695 -1.832 1.00 0.00 C ATOM 588 O ILE B 77 20.101 -1.467 -1.940 1.00 0.00 O ATOM 589 CB ILE B 77 18.942 1.643 -2.682 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.800 2.498 -3.943 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.319 1.826 -2.063 1.00 0.00 C ATOM 592 CD1 ILE B 77 19.879 2.243 -4.971 1.00 0.00 C ATOM 0 H ILE B 77 16.679 0.707 -3.177 1.00 0.00 H new ATOM 0 HA ILE B 77 19.274 -0.109 -3.895 1.00 0.00 H new ATOM 0 HB ILE B 77 18.195 1.969 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE B 77 17.827 2.306 -4.395 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.819 3.551 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.478 2.880 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.386 1.242 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.081 1.487 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE B 77 19.715 2.884 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE B 77 20.854 2.463 -4.537 1.00 0.00 H new ATOM 0 HD13 ILE B 77 19.847 1.198 -5.281 1.00 0.00 H new ATOM 604 N PHE B 78 18.458 -0.552 -0.706 1.00 0.00 N ATOM 605 CA PHE B 78 18.788 -1.310 0.495 1.00 0.00 C ATOM 606 C PHE B 78 18.678 -2.810 0.238 1.00 0.00 C ATOM 607 O PHE B 78 19.386 -3.609 0.850 1.00 0.00 O ATOM 608 CB PHE B 78 17.865 -0.909 1.647 1.00 0.00 C ATOM 609 CG PHE B 78 17.991 -1.795 2.853 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.220 -2.940 2.971 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.882 -1.484 3.868 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.334 -3.757 4.080 1.00 0.00 C ATOM 613 CE2 PHE B 78 19.000 -2.297 4.979 1.00 0.00 C ATOM 614 CZ PHE B 78 18.226 -3.436 5.085 1.00 0.00 C ATOM 0 H PHE B 78 17.666 0.082 -0.600 1.00 0.00 H new ATOM 0 HA PHE B 78 19.818 -1.080 0.768 1.00 0.00 H new ATOM 0 HB2 PHE B 78 18.084 0.119 1.937 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.832 -0.928 1.298 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.522 -3.197 2.188 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.491 -0.596 3.790 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.726 -4.646 4.161 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.697 -2.042 5.764 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.318 -4.074 5.951 1.00 0.00 H new ATOM 624 N GLY B 79 17.783 -3.185 -0.671 1.00 0.00 N ATOM 625 CA GLY B 79 17.595 -4.587 -0.992 1.00 0.00 C ATOM 626 C GLY B 79 18.780 -5.177 -1.730 1.00 0.00 C ATOM 627 O GLY B 79 19.449 -6.078 -1.224 1.00 0.00 O ATOM 0 H GLY B 79 17.185 -2.542 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.428 -5.148 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.698 -4.700 -1.602 1.00 0.00 H new ATOM 631 N VAL B 80 19.041 -4.670 -2.930 1.00 0.00 N ATOM 632 CA VAL B 80 20.154 -5.152 -3.739 1.00 0.00 C ATOM 633 C VAL B 80 21.474 -5.026 -2.989 1.00 0.00 C ATOM 634 O VAL B 80 22.354 -5.877 -3.113 1.00 0.00 O ATOM 635 CB VAL B 80 20.256 -4.382 -5.069 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.445 -4.873 -5.881 1.00 0.00 C ATOM 637 CG2 VAL B 80 18.966 -4.518 -5.864 1.00 0.00 C ATOM 0 H VAL B 80 18.496 -3.925 -3.364 1.00 0.00 H new ATOM 0 HA VAL B 80 19.959 -6.203 -3.950 1.00 0.00 H new ATOM 0 HB VAL B 80 20.409 -3.326 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.501 -4.317 -6.817 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.362 -4.719 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.325 -5.935 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.056 -3.968 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.780 -5.570 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.137 -4.113 -5.284 1.00 0.00 H new ATOM 647 N MET B 81 21.605 -3.958 -2.209 1.00 0.00 N ATOM 648 CA MET B 81 22.819 -3.721 -1.436 1.00 0.00 C ATOM 649 C MET B 81 23.003 -4.796 -0.369 1.00 0.00 C ATOM 650 O MET B 81 24.091 -5.350 -0.214 1.00 0.00 O ATOM 651 CB MET B 81 22.771 -2.339 -0.781 1.00 0.00 C ATOM 652 CG MET B 81 23.192 -1.212 -1.709 1.00 0.00 C ATOM 653 SD MET B 81 24.603 -0.283 -1.079 1.00 0.00 S ATOM 654 CE MET B 81 24.993 0.743 -2.494 1.00 0.00 C ATOM 0 H MET B 81 20.886 -3.243 -2.095 1.00 0.00 H new ATOM 0 HA MET B 81 23.668 -3.762 -2.118 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.758 -2.148 -0.428 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.419 -2.339 0.095 1.00 0.00 H new ATOM 0 HG2 MET B 81 23.441 -1.625 -2.686 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.351 -0.534 -1.855 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.848 1.377 -2.259 1.00 0.00 H new ATOM 0 HE2 MET B 81 25.235 0.109 -3.347 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.134 1.368 -2.738 1.00 0.00 H new ATOM 664 N ALA B 82 21.933 -5.085 0.364 1.00 0.00 N ATOM 665 CA ALA B 82 21.976 -6.094 1.415 1.00 0.00 C ATOM 666 C ALA B 82 22.288 -7.472 0.840 1.00 0.00 C ATOM 667 O ALA B 82 23.024 -8.254 1.440 1.00 0.00 O ATOM 668 CB ALA B 82 20.658 -6.124 2.173 1.00 0.00 C ATOM 0 H ALA B 82 21.025 -4.634 0.249 1.00 0.00 H new ATOM 0 HA ALA B 82 22.775 -5.827 2.107 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.705 -6.882 2.955 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.475 -5.149 2.624 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.848 -6.363 1.484 1.00 0.00 H new ATOM 674 N GLY B 83 21.723 -7.763 -0.328 1.00 0.00 N ATOM 675 CA GLY B 83 21.952 -9.047 -0.963 1.00 0.00 C ATOM 676 C GLY B 83 23.345 -9.163 -1.550 1.00 0.00 C ATOM 677 O GLY B 83 24.095 -10.079 -1.212 1.00 0.00 O ATOM 0 H GLY B 83 21.111 -7.132 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.801 -9.842 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.215 -9.195 -1.752 1.00 0.00 H new ATOM 681 N VAL B 84 23.693 -8.233 -2.434 1.00 0.00 N ATOM 682 CA VAL B 84 25.005 -8.234 -3.069 1.00 0.00 C ATOM 683 C VAL B 84 26.120 -8.246 -2.030 1.00 0.00 C ATOM 684 O VAL B 84 27.048 -9.051 -2.109 1.00 0.00 O ATOM 685 CB VAL B 84 25.186 -7.010 -3.986 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.588 -6.986 -4.575 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.136 -7.009 -5.087 1.00 0.00 C ATOM 0 H VAL B 84 23.084 -7.469 -2.727 1.00 0.00 H new ATOM 0 HA VAL B 84 25.064 -9.141 -3.670 1.00 0.00 H new ATOM 0 HB VAL B 84 25.054 -6.108 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.697 -6.114 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.320 -6.935 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.753 -7.892 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.279 -6.137 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.234 -7.916 -5.684 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.142 -6.973 -4.642 1.00 0.00 H new ATOM 697 N ILE B 85 26.021 -7.349 -1.054 1.00 0.00 N ATOM 698 CA ILE B 85 27.021 -7.257 0.003 1.00 0.00 C ATOM 699 C ILE B 85 27.062 -8.536 0.832 1.00 0.00 C ATOM 700 O ILE B 85 28.129 -9.100 1.071 1.00 0.00 O ATOM 701 CB ILE B 85 26.746 -6.063 0.935 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.879 -4.747 0.166 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.698 -6.087 2.121 1.00 0.00 C ATOM 704 CD1 ILE B 85 26.281 -3.561 0.890 1.00 0.00 C ATOM 0 H ILE B 85 25.259 -6.676 -0.973 1.00 0.00 H new ATOM 0 HA ILE B 85 27.985 -7.112 -0.485 1.00 0.00 H new ATOM 0 HB ILE B 85 25.726 -6.142 1.311 1.00 0.00 H new ATOM 0 HG12 ILE B 85 27.934 -4.552 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.394 -4.852 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.491 -5.237 2.771 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.560 -7.013 2.680 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.726 -6.029 1.764 1.00 0.00 H new ATOM 0 HD11 ILE B 85 26.412 -2.663 0.287 1.00 0.00 H new ATOM 0 HD12 ILE B 85 25.218 -3.735 1.057 1.00 0.00 H new ATOM 0 HD13 ILE B 85 26.782 -3.430 1.849 1.00 0.00 H new ATOM 716 N GLY B 86 25.891 -8.991 1.268 1.00 0.00 N ATOM 717 CA GLY B 86 25.815 -10.201 2.065 1.00 0.00 C ATOM 718 C GLY B 86 26.358 -11.412 1.333 1.00 0.00 C ATOM 719 O GLY B 86 26.967 -12.294 1.941 1.00 0.00 O ATOM 0 H GLY B 86 24.994 -8.543 1.083 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.374 -10.059 2.990 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.777 -10.384 2.344 1.00 0.00 H new ATOM 723 N THR B 87 26.137 -11.458 0.023 1.00 0.00 N ATOM 724 CA THR B 87 26.606 -12.572 -0.793 1.00 0.00 C ATOM 725 C THR B 87 28.127 -12.573 -0.899 1.00 0.00 C ATOM 726 O THR B 87 28.785 -13.538 -0.508 1.00 0.00 O ATOM 727 CB THR B 87 26.004 -12.523 -2.210 1.00 0.00 C ATOM 728 OG1 THR B 87 24.575 -12.563 -2.136 1.00 0.00 O ATOM 729 CG2 THR B 87 26.506 -13.686 -3.051 1.00 0.00 C ATOM 0 H THR B 87 25.636 -10.737 -0.496 1.00 0.00 H new ATOM 0 HA THR B 87 26.278 -13.486 -0.299 1.00 0.00 H new ATOM 0 HB THR B 87 26.317 -11.592 -2.682 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.242 -11.715 -1.774 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.067 -13.630 -4.047 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.592 -13.636 -3.129 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.219 -14.626 -2.580 1.00 0.00 H new ATOM 737 N ILE B 88 28.679 -11.486 -1.428 1.00 0.00 N ATOM 738 CA ILE B 88 30.123 -11.362 -1.583 1.00 0.00 C ATOM 739 C ILE B 88 30.838 -11.562 -0.250 1.00 0.00 C ATOM 740 O ILE B 88 31.906 -12.173 -0.192 1.00 0.00 O ATOM 741 CB ILE B 88 30.512 -9.988 -2.160 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.822 -9.764 -3.507 1.00 0.00 C ATOM 743 CG2 ILE B 88 32.022 -9.884 -2.308 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.981 -8.357 -4.040 1.00 0.00 C ATOM 0 H ILE B 88 28.148 -10.679 -1.756 1.00 0.00 H new ATOM 0 HA ILE B 88 30.433 -12.140 -2.280 1.00 0.00 H new ATOM 0 HB ILE B 88 30.181 -9.212 -1.469 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.226 -10.468 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.760 -9.987 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.281 -8.907 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.492 -10.005 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.376 -10.665 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.467 -8.270 -4.997 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.551 -7.649 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.040 -8.137 -4.176 1.00 0.00 H new ATOM 756 N LEU B 89 30.242 -11.044 0.818 1.00 0.00 N ATOM 757 CA LEU B 89 30.820 -11.167 2.152 1.00 0.00 C ATOM 758 C LEU B 89 30.854 -12.625 2.599 1.00 0.00 C ATOM 759 O LEU B 89 31.901 -13.142 2.991 1.00 0.00 O ATOM 760 CB LEU B 89 30.021 -10.332 3.154 1.00 0.00 C ATOM 761 CG LEU B 89 30.333 -8.836 3.180 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.398 -8.113 4.137 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.784 -8.600 3.570 1.00 0.00 C ATOM 0 H LEU B 89 29.359 -10.535 0.787 1.00 0.00 H new ATOM 0 HA LEU B 89 31.844 -10.795 2.113 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.960 -10.458 2.937 1.00 0.00 H new ATOM 0 HB3 LEU B 89 30.193 -10.736 4.152 1.00 0.00 H new ATOM 0 HG LEU B 89 30.177 -8.435 2.179 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.635 -7.049 4.143 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.367 -8.254 3.814 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.522 -8.518 5.142 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.988 -7.529 3.583 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.967 -9.016 4.561 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.439 -9.085 2.846 1.00 0.00 H new ATOM 775 N LEU B 90 29.702 -13.284 2.535 1.00 0.00 N ATOM 776 CA LEU B 90 29.599 -14.684 2.932 1.00 0.00 C ATOM 777 C LEU B 90 30.598 -15.543 2.163 1.00 0.00 C ATOM 778 O LEU B 90 31.332 -16.337 2.752 1.00 0.00 O ATOM 779 CB LEU B 90 28.178 -15.199 2.694 1.00 0.00 C ATOM 780 CG LEU B 90 27.706 -16.318 3.623 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.194 -16.278 3.780 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.154 -17.673 3.096 1.00 0.00 C ATOM 0 H LEU B 90 28.827 -12.872 2.212 1.00 0.00 H new ATOM 0 HA LEU B 90 29.831 -14.752 3.995 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.488 -14.360 2.789 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.109 -15.554 1.666 1.00 0.00 H new ATOM 0 HG LEU B 90 28.157 -16.165 4.604 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.876 -17.081 4.444 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.897 -15.318 4.203 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.723 -16.406 2.805 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.809 -18.457 3.770 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.732 -17.835 2.104 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.242 -17.698 3.036 1.00 0.00 H new ATOM 794 N ILE B 91 30.623 -15.375 0.845 1.00 0.00 N ATOM 795 CA ILE B 91 31.534 -16.133 -0.004 1.00 0.00 C ATOM 796 C ILE B 91 32.987 -15.780 0.298 1.00 0.00 C ATOM 797 O ILE B 91 33.791 -16.651 0.630 1.00 0.00 O ATOM 798 CB ILE B 91 31.256 -15.878 -1.497 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.816 -16.263 -1.843 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.239 -16.655 -2.360 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.453 -16.011 -3.289 1.00 0.00 C ATOM 0 H ILE B 91 30.023 -14.721 0.342 1.00 0.00 H new ATOM 0 HA ILE B 91 31.365 -17.188 0.214 1.00 0.00 H new ATOM 0 HB ILE B 91 31.387 -14.815 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.667 -17.319 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.135 -15.702 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.029 -16.464 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.256 -16.337 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.137 -17.721 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.418 -16.307 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.569 -14.951 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.110 -16.593 -3.936 1.00 0.00 H new ATOM 813 N SER B 92 33.316 -14.498 0.181 1.00 0.00 N ATOM 814 CA SER B 92 34.672 -14.030 0.439 1.00 0.00 C ATOM 815 C SER B 92 35.135 -14.448 1.832 1.00 0.00 C ATOM 816 O SER B 92 36.333 -14.576 2.087 1.00 0.00 O ATOM 817 CB SER B 92 34.744 -12.508 0.301 1.00 0.00 C ATOM 818 OG SER B 92 34.452 -12.102 -1.025 1.00 0.00 O ATOM 0 H SER B 92 32.661 -13.764 -0.091 1.00 0.00 H new ATOM 0 HA SER B 92 35.334 -14.486 -0.297 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.039 -12.043 0.991 1.00 0.00 H new ATOM 0 HB3 SER B 92 35.739 -12.161 0.580 1.00 0.00 H new ATOM 0 HG SER B 92 33.482 -12.007 -1.132 1.00 0.00 H new ATOM 824 N TYR B 93 34.178 -14.658 2.728 1.00 0.00 N ATOM 825 CA TYR B 93 34.486 -15.059 4.096 1.00 0.00 C ATOM 826 C TYR B 93 34.898 -16.527 4.153 1.00 0.00 C ATOM 827 O TYR B 93 35.937 -16.870 4.715 1.00 0.00 O ATOM 828 CB TYR B 93 33.278 -14.821 5.004 1.00 0.00 C ATOM 829 CG TYR B 93 33.553 -15.101 6.464 1.00 0.00 C ATOM 830 CD1 TYR B 93 34.625 -14.505 7.116 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.741 -15.962 7.191 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.881 -14.759 8.449 1.00 0.00 C ATOM 833 CE2 TYR B 93 32.988 -16.221 8.525 1.00 0.00 C ATOM 834 CZ TYR B 93 34.059 -15.617 9.150 1.00 0.00 C ATOM 835 OH TYR B 93 34.310 -15.872 10.479 1.00 0.00 O ATOM 0 H TYR B 93 33.182 -14.557 2.532 1.00 0.00 H new ATOM 0 HA TYR B 93 35.321 -14.452 4.447 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.952 -13.787 4.896 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.454 -15.452 4.671 1.00 0.00 H new ATOM 0 HD1 TYR B 93 35.269 -13.831 6.571 1.00 0.00 H new ATOM 0 HD2 TYR B 93 31.902 -16.437 6.705 1.00 0.00 H new ATOM 0 HE1 TYR B 93 35.720 -14.289 8.940 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.346 -16.893 9.076 1.00 0.00 H new ATOM 0 HH TYR B 93 33.638 -16.496 10.825 1.00 0.00 H new