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= -1.08! 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 55:sc= -0.783! 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 9.461 -5.089 -4.221 1.00 0.00 N ATOM 79 CA LEU A 75 10.701 -4.409 -4.582 1.00 0.00 C ATOM 80 C LEU A 75 11.890 -5.022 -3.849 1.00 0.00 C ATOM 81 O LEU A 75 12.982 -5.140 -4.407 1.00 0.00 O ATOM 82 CB LEU A 75 10.601 -2.918 -4.257 1.00 0.00 C ATOM 83 CG LEU A 75 9.457 -2.160 -4.931 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.190 -0.846 -4.212 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.772 -1.912 -6.399 1.00 0.00 C ATOM 0 HA LEU A 75 10.855 -4.531 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.497 -2.808 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.541 -2.442 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 75 8.557 -2.772 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.373 -0.321 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.918 -1.047 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.087 -0.228 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.946 -1.371 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.684 -1.321 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.912 -2.866 -6.907 1.00 0.00 H new ATOM 97 N ILE A 76 11.671 -5.411 -2.598 1.00 0.00 N ATOM 98 CA ILE A 76 12.724 -6.015 -1.791 1.00 0.00 C ATOM 99 C ILE A 76 13.144 -7.368 -2.356 1.00 0.00 C ATOM 100 O ILE A 76 14.332 -7.686 -2.413 1.00 0.00 O ATOM 101 CB ILE A 76 12.277 -6.199 -0.328 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.820 -4.863 0.260 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.407 -6.791 0.501 1.00 0.00 C ATOM 104 CD1 ILE A 76 11.060 -5.004 1.561 1.00 0.00 C ATOM 0 H ILE A 76 10.774 -5.319 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 76 13.573 -5.333 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 76 11.435 -6.891 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.692 -4.230 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.188 -4.352 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.076 -6.915 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.689 -7.761 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.267 -6.122 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.767 -4.017 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.169 -5.610 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.696 -5.486 2.303 1.00 0.00 H new ATOM 116 N ILE A 77 12.161 -8.158 -2.776 1.00 0.00 N ATOM 117 CA ILE A 77 12.429 -9.475 -3.340 1.00 0.00 C ATOM 118 C ILE A 77 13.179 -9.364 -4.663 1.00 0.00 C ATOM 119 O ILE A 77 14.270 -9.914 -4.818 1.00 0.00 O ATOM 120 CB ILE A 77 11.127 -10.265 -3.566 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.541 -10.719 -2.228 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.384 -11.461 -4.471 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.377 -11.767 -1.526 1.00 0.00 C ATOM 0 H ILE A 77 11.173 -7.909 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 77 13.048 -10.008 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 77 10.404 -9.612 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.435 -9.853 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.540 -11.117 -2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.454 -12.010 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.761 -11.115 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.121 -12.116 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.901 -12.041 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.462 -12.649 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.371 -11.366 -1.327 1.00 0.00 H new ATOM 135 N PHE A 78 12.589 -8.646 -5.613 1.00 0.00 N ATOM 136 CA PHE A 78 13.202 -8.462 -6.923 1.00 0.00 C ATOM 137 C PHE A 78 14.558 -7.772 -6.797 1.00 0.00 C ATOM 138 O PHE A 78 15.463 -8.009 -7.596 1.00 0.00 O ATOM 139 CB PHE A 78 12.282 -7.641 -7.829 1.00 0.00 C ATOM 140 CG PHE A 78 12.925 -7.233 -9.124 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.650 -6.055 -9.213 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.803 -8.026 -10.253 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.242 -5.677 -10.403 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.393 -7.654 -11.446 1.00 0.00 C ATOM 145 CZ PHE A 78 14.113 -6.477 -11.521 1.00 0.00 C ATOM 0 H PHE A 78 11.688 -8.182 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 78 13.354 -9.446 -7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.385 -8.222 -8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.962 -6.747 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.753 -5.425 -8.342 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.240 -8.946 -10.200 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.805 -4.757 -10.459 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.291 -8.282 -12.319 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.574 -6.183 -12.452 1.00 0.00 H new ATOM 155 N GLY A 79 14.689 -6.918 -5.787 1.00 0.00 N ATOM 156 CA GLY A 79 15.936 -6.206 -5.574 1.00 0.00 C ATOM 157 C GLY A 79 17.056 -7.122 -5.124 1.00 0.00 C ATOM 158 O GLY A 79 18.048 -7.297 -5.832 1.00 0.00 O ATOM 0 H GLY A 79 13.954 -6.706 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.228 -5.707 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.784 -5.428 -4.826 1.00 0.00 H new ATOM 162 N VAL A 80 16.900 -7.708 -3.941 1.00 0.00 N ATOM 163 CA VAL A 80 17.907 -8.611 -3.396 1.00 0.00 C ATOM 164 C VAL A 80 18.190 -9.762 -4.356 1.00 0.00 C ATOM 165 O VAL A 80 19.324 -10.227 -4.465 1.00 0.00 O ATOM 166 CB VAL A 80 17.468 -9.187 -2.037 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.522 -10.141 -1.496 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.195 -8.064 -1.047 1.00 0.00 C ATOM 0 H VAL A 80 16.086 -7.574 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 80 18.816 -8.025 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 80 16.544 -9.748 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.194 -10.538 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.664 -10.962 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.463 -9.607 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.886 -8.488 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.101 -7.475 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.402 -7.423 -1.433 1.00 0.00 H new ATOM 178 N MET A 81 17.151 -10.216 -5.049 1.00 0.00 N ATOM 179 CA MET A 81 17.289 -11.312 -6.001 1.00 0.00 C ATOM 180 C MET A 81 18.176 -10.905 -7.173 1.00 0.00 C ATOM 181 O MET A 81 19.081 -11.643 -7.564 1.00 0.00 O ATOM 182 CB MET A 81 15.914 -11.746 -6.514 1.00 0.00 C ATOM 183 CG MET A 81 15.153 -12.629 -5.538 1.00 0.00 C ATOM 184 SD MET A 81 15.622 -14.365 -5.661 1.00 0.00 S ATOM 185 CE MET A 81 14.170 -15.157 -4.973 1.00 0.00 C ATOM 0 H MET A 81 16.205 -9.842 -4.969 1.00 0.00 H new ATOM 0 HA MET A 81 17.759 -12.150 -5.487 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.319 -10.859 -6.729 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.039 -12.282 -7.455 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.333 -12.279 -4.521 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.083 -12.532 -5.724 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.307 -16.238 -4.980 1.00 0.00 H new ATOM 0 HE2 MET A 81 14.021 -14.817 -3.948 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.296 -14.898 -5.571 1.00 0.00 H new ATOM 195 N ALA A 82 17.911 -9.728 -7.731 1.00 0.00 N ATOM 196 CA ALA A 82 18.687 -9.224 -8.857 1.00 0.00 C ATOM 197 C ALA A 82 20.145 -9.009 -8.466 1.00 0.00 C ATOM 198 O ALA A 82 21.054 -9.273 -9.252 1.00 0.00 O ATOM 199 CB ALA A 82 18.081 -7.929 -9.377 1.00 0.00 C ATOM 0 H ALA A 82 17.164 -9.106 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 82 18.658 -9.971 -9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.670 -7.563 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.057 -8.112 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.081 -7.183 -8.583 1.00 0.00 H new ATOM 205 N GLY A 83 20.361 -8.526 -7.246 1.00 0.00 N ATOM 206 CA GLY A 83 21.711 -8.282 -6.773 1.00 0.00 C ATOM 207 C GLY A 83 22.453 -9.564 -6.453 1.00 0.00 C ATOM 208 O GLY A 83 23.528 -9.821 -6.995 1.00 0.00 O ATOM 0 H GLY A 83 19.625 -8.299 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.263 -7.726 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.673 -7.656 -5.882 1.00 0.00 H new ATOM 212 N VAL A 84 21.880 -10.373 -5.567 1.00 0.00 N ATOM 213 CA VAL A 84 22.494 -11.635 -5.174 1.00 0.00 C ATOM 214 C VAL A 84 22.789 -12.505 -6.391 1.00 0.00 C ATOM 215 O VAL A 84 23.896 -13.022 -6.543 1.00 0.00 O ATOM 216 CB VAL A 84 21.593 -12.420 -4.202 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.211 -13.770 -3.872 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.346 -11.613 -2.936 1.00 0.00 C ATOM 0 H VAL A 84 20.991 -10.176 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 84 23.429 -11.388 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 84 20.633 -12.597 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.560 -14.310 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.331 -14.349 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.185 -13.620 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.708 -12.182 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.297 -11.404 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.856 -10.674 -3.193 1.00 0.00 H new ATOM 228 N ILE A 85 21.792 -12.661 -7.255 1.00 0.00 N ATOM 229 CA ILE A 85 21.946 -13.467 -8.459 1.00 0.00 C ATOM 230 C ILE A 85 22.997 -12.872 -9.389 1.00 0.00 C ATOM 231 O ILE A 85 23.885 -13.574 -9.871 1.00 0.00 O ATOM 232 CB ILE A 85 20.615 -13.596 -9.224 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.594 -14.369 -8.387 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.838 -14.282 -10.564 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.977 -15.813 -8.149 1.00 0.00 C ATOM 0 H ILE A 85 20.870 -12.240 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 85 22.269 -14.457 -8.136 1.00 0.00 H new ATOM 0 HB ILE A 85 20.222 -12.597 -9.411 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.473 -13.870 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.626 -14.336 -8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.888 -14.366 -11.092 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.535 -13.695 -11.162 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.250 -15.277 -10.399 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.208 -16.299 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.070 -16.327 -9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.929 -15.854 -7.621 1.00 0.00 H new ATOM 247 N GLY A 86 22.893 -11.569 -9.635 1.00 0.00 N ATOM 248 CA GLY A 86 23.842 -10.900 -10.505 1.00 0.00 C ATOM 249 C GLY A 86 25.264 -10.986 -9.987 1.00 0.00 C ATOM 250 O GLY A 86 26.211 -11.105 -10.765 1.00 0.00 O ATOM 0 H GLY A 86 22.168 -10.965 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.793 -11.343 -11.500 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.559 -9.852 -10.609 1.00 0.00 H new ATOM 254 N THR A 87 25.416 -10.925 -8.667 1.00 0.00 N ATOM 255 CA THR A 87 26.732 -10.994 -8.046 1.00 0.00 C ATOM 256 C THR A 87 27.345 -12.380 -8.207 1.00 0.00 C ATOM 257 O THR A 87 28.428 -12.529 -8.773 1.00 0.00 O ATOM 258 CB THR A 87 26.665 -10.646 -6.547 1.00 0.00 C ATOM 259 OG1 THR A 87 26.101 -9.341 -6.371 1.00 0.00 O ATOM 260 CG2 THR A 87 28.049 -10.695 -5.917 1.00 0.00 C ATOM 0 H THR A 87 24.643 -10.828 -8.008 1.00 0.00 H new ATOM 0 HA THR A 87 27.359 -10.261 -8.554 1.00 0.00 H new ATOM 0 HB THR A 87 26.032 -11.384 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.224 -9.302 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.976 -10.446 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.463 -11.697 -6.026 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.701 -9.977 -6.415 1.00 0.00 H new ATOM 268 N ILE A 88 26.645 -13.393 -7.707 1.00 0.00 N ATOM 269 CA ILE A 88 27.119 -14.768 -7.798 1.00 0.00 C ATOM 270 C ILE A 88 27.383 -15.164 -9.247 1.00 0.00 C ATOM 271 O ILE A 88 28.341 -15.879 -9.542 1.00 0.00 O ATOM 272 CB ILE A 88 26.109 -15.754 -7.183 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.819 -15.381 -5.728 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.636 -17.179 -7.275 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.664 -16.150 -5.125 1.00 0.00 C ATOM 0 H ILE A 88 25.747 -13.287 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 88 28.051 -14.818 -7.235 1.00 0.00 H new ATOM 0 HB ILE A 88 25.178 -15.694 -7.746 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.714 -15.558 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.604 -14.314 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.911 -17.864 -6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.796 -17.441 -8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.579 -17.254 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.516 -15.834 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.758 -15.954 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.885 -17.217 -5.150 1.00 0.00 H new ATOM 287 N LEU A 89 26.527 -14.694 -10.147 1.00 0.00 N ATOM 288 CA LEU A 89 26.668 -14.997 -11.567 1.00 0.00 C ATOM 289 C LEU A 89 27.944 -14.382 -12.132 1.00 0.00 C ATOM 290 O LEU A 89 28.765 -15.074 -12.736 1.00 0.00 O ATOM 291 CB LEU A 89 25.454 -14.480 -12.342 1.00 0.00 C ATOM 292 CG LEU A 89 24.252 -15.423 -12.413 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.037 -14.698 -12.970 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.581 -16.644 -13.259 1.00 0.00 C ATOM 0 H LEU A 89 25.728 -14.102 -9.919 1.00 0.00 H new ATOM 0 HA LEU A 89 26.729 -16.080 -11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.130 -13.544 -11.888 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.769 -14.248 -13.359 1.00 0.00 H new ATOM 0 HG LEU A 89 24.018 -15.758 -11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.192 -15.385 -13.013 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.788 -13.856 -12.324 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.259 -14.333 -13.973 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.714 -17.304 -13.298 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.842 -16.327 -14.269 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.423 -17.177 -12.817 1.00 0.00 H new ATOM 306 N LEU A 90 28.107 -13.079 -11.928 1.00 0.00 N ATOM 307 CA LEU A 90 29.286 -12.371 -12.415 1.00 0.00 C ATOM 308 C LEU A 90 30.565 -13.029 -11.908 1.00 0.00 C ATOM 309 O LEU A 90 31.486 -13.296 -12.681 1.00 0.00 O ATOM 310 CB LEU A 90 29.243 -10.907 -11.974 1.00 0.00 C ATOM 311 CG LEU A 90 29.925 -9.905 -12.906 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.511 -8.484 -12.558 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.438 -10.054 -12.836 1.00 0.00 C ATOM 0 H LEU A 90 27.438 -12.492 -11.429 1.00 0.00 H new ATOM 0 HA LEU A 90 29.283 -12.417 -13.504 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.200 -10.614 -11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.706 -10.831 -10.990 1.00 0.00 H new ATOM 0 HG LEU A 90 29.607 -10.114 -13.927 1.00 0.00 H new ATOM 0 HD11 LEU A 90 30.007 -7.785 -13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.431 -8.384 -12.662 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.799 -8.263 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.906 -9.333 -13.506 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.775 -9.873 -11.815 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.718 -11.063 -13.137 1.00 0.00 H new ATOM 325 N ILE A 91 30.614 -13.290 -10.606 1.00 0.00 N ATOM 326 CA ILE A 91 31.779 -13.920 -9.997 1.00 0.00 C ATOM 327 C ILE A 91 31.971 -15.340 -10.519 1.00 0.00 C ATOM 328 O ILE A 91 33.028 -15.678 -11.053 1.00 0.00 O ATOM 329 CB ILE A 91 31.658 -13.962 -8.462 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.509 -12.546 -7.902 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.869 -14.653 -7.854 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.355 -12.504 -6.398 1.00 0.00 C ATOM 0 H ILE A 91 29.861 -13.075 -9.953 1.00 0.00 H new ATOM 0 HA ILE A 91 32.644 -13.315 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 91 30.768 -14.533 -8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.382 -11.958 -8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.642 -12.072 -8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.769 -14.675 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.934 -15.673 -8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.773 -14.107 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.254 -11.469 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.466 -13.064 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.233 -12.949 -5.930 1.00 0.00 H new ATOM 344 N SER A 92 30.943 -16.167 -10.362 1.00 0.00 N ATOM 345 CA SER A 92 30.999 -17.552 -10.816 1.00 0.00 C ATOM 346 C SER A 92 31.358 -17.624 -12.297 1.00 0.00 C ATOM 347 O SER A 92 31.890 -18.628 -12.770 1.00 0.00 O ATOM 348 CB SER A 92 29.658 -18.246 -10.571 1.00 0.00 C ATOM 349 OG SER A 92 29.640 -19.540 -11.149 1.00 0.00 O ATOM 0 H SER A 92 30.061 -15.902 -9.924 1.00 0.00 H new ATOM 0 HA SER A 92 31.775 -18.064 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.474 -18.320 -9.499 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.852 -17.645 -10.992 1.00 0.00 H new ATOM 0 HG SER A 92 28.773 -19.963 -10.977 1.00 0.00 H new ATOM 355 N TYR A 93 31.063 -16.552 -13.024 1.00 0.00 N ATOM 356 CA TYR A 93 31.352 -16.493 -14.452 1.00 0.00 C ATOM 357 C TYR A 93 32.854 -16.403 -14.700 1.00 0.00 C ATOM 358 O TYR A 93 33.418 -17.193 -15.456 1.00 0.00 O ATOM 359 CB TYR A 93 30.646 -15.293 -15.087 1.00 0.00 C ATOM 360 CG TYR A 93 30.796 -15.229 -16.590 1.00 0.00 C ATOM 361 CD1 TYR A 93 31.933 -14.683 -17.172 1.00 0.00 C ATOM 362 CD2 TYR A 93 29.800 -15.714 -17.429 1.00 0.00 C ATOM 363 CE1 TYR A 93 32.074 -14.621 -18.545 1.00 0.00 C ATOM 364 CE2 TYR A 93 29.933 -15.659 -18.803 1.00 0.00 C ATOM 365 CZ TYR A 93 31.072 -15.111 -19.356 1.00 0.00 C ATOM 366 OH TYR A 93 31.208 -15.052 -20.724 1.00 0.00 O ATOM 0 H TYR A 93 30.624 -15.712 -12.648 1.00 0.00 H new ATOM 0 HA TYR A 93 30.981 -17.409 -14.911 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.586 -15.332 -14.837 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.043 -14.376 -14.651 1.00 0.00 H new ATOM 0 HD1 TYR A 93 32.721 -14.300 -16.540 1.00 0.00 H new ATOM 0 HD2 TYR A 93 28.906 -16.141 -16.999 1.00 0.00 H new ATOM 0 HE1 TYR A 93 32.964 -14.191 -18.981 1.00 0.00 H new ATOM 0 HE2 TYR A 93 29.150 -16.043 -19.440 1.00 0.00 H new ATOM 0 HH TYR A 93 30.415 -15.440 -21.149 1.00 0.00 H new ATOM 547 N LEU B 75 13.795 0.902 -1.290 1.00 0.00 N ATOM 548 CA LEU B 75 13.732 -0.543 -1.099 1.00 0.00 C ATOM 549 C LEU B 75 14.658 -1.262 -2.075 1.00 0.00 C ATOM 550 O LEU B 75 15.280 -2.267 -1.729 1.00 0.00 O ATOM 551 CB LEU B 75 12.297 -1.039 -1.281 1.00 0.00 C ATOM 552 CG LEU B 75 11.201 -0.159 -0.679 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.836 -0.803 -0.865 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.474 0.099 0.796 1.00 0.00 C ATOM 0 HA LEU B 75 14.061 -0.765 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.104 -1.146 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.219 -2.033 -0.841 1.00 0.00 H new ATOM 0 HG LEU B 75 11.203 0.798 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.069 -0.162 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.638 -0.935 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.821 -1.774 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.684 0.727 1.208 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.500 -0.849 1.332 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.433 0.605 0.905 1.00 0.00 H new ATOM 566 N ILE B 76 14.747 -0.739 -3.293 1.00 0.00 N ATOM 567 CA ILE B 76 15.600 -1.329 -4.317 1.00 0.00 C ATOM 568 C ILE B 76 17.074 -1.195 -3.949 1.00 0.00 C ATOM 569 O ILE B 76 17.852 -2.135 -4.110 1.00 0.00 O ATOM 570 CB ILE B 76 15.364 -0.676 -5.692 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.889 -0.782 -6.085 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.247 -1.326 -6.746 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.427 -2.204 -6.318 1.00 0.00 C ATOM 0 H ILE B 76 14.239 0.092 -3.595 1.00 0.00 H new ATOM 0 HA ILE B 76 15.337 -2.385 -4.376 1.00 0.00 H new ATOM 0 HB ILE B 76 15.628 0.380 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.279 -0.334 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.720 -0.200 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.068 -0.854 -7.712 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.294 -1.203 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE B 76 16.012 -2.388 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.372 -2.203 -6.593 1.00 0.00 H new ATOM 0 HD12 ILE B 76 14.012 -2.649 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.564 -2.785 -5.406 1.00 0.00 H new ATOM 585 N ILE B 77 17.449 -0.021 -3.453 1.00 0.00 N ATOM 586 CA ILE B 77 18.829 0.235 -3.059 1.00 0.00 C ATOM 587 C ILE B 77 19.230 -0.628 -1.867 1.00 0.00 C ATOM 588 O ILE B 77 20.189 -1.396 -1.938 1.00 0.00 O ATOM 589 CB ILE B 77 19.047 1.717 -2.702 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.994 2.582 -3.963 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.376 1.900 -1.984 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.154 2.348 -4.905 1.00 0.00 C ATOM 0 H ILE B 77 16.817 0.768 -3.314 1.00 0.00 H new ATOM 0 HA ILE B 77 19.454 -0.020 -3.915 1.00 0.00 H new ATOM 0 HB ILE B 77 18.248 2.034 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.062 2.383 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.978 3.633 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.515 2.953 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.378 1.310 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.188 1.568 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE B 77 20.051 2.994 -5.777 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.089 2.575 -4.394 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.159 1.306 -5.225 1.00 0.00 H new ATOM 604 N PHE B 78 18.487 -0.497 -0.773 1.00 0.00 N ATOM 605 CA PHE B 78 18.764 -1.265 0.435 1.00 0.00 C ATOM 606 C PHE B 78 18.646 -2.762 0.167 1.00 0.00 C ATOM 607 O PHE B 78 19.336 -3.572 0.786 1.00 0.00 O ATOM 608 CB PHE B 78 17.803 -0.859 1.555 1.00 0.00 C ATOM 609 CG PHE B 78 17.893 -1.738 2.770 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.128 -2.889 2.866 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.742 -1.412 3.815 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.209 -3.700 3.983 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.827 -2.219 4.934 1.00 0.00 C ATOM 614 CZ PHE B 78 18.058 -3.364 5.019 1.00 0.00 C ATOM 0 H PHE B 78 17.689 0.134 -0.698 1.00 0.00 H new ATOM 0 HA PHE B 78 19.786 -1.049 0.746 1.00 0.00 H new ATOM 0 HB2 PHE B 78 18.010 0.171 1.845 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.782 -0.883 1.174 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.461 -3.156 2.060 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.344 -0.517 3.755 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.609 -4.596 4.045 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.494 -1.955 5.741 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.121 -3.995 5.894 1.00 0.00 H new ATOM 624 N GLY B 79 17.766 -3.124 -0.762 1.00 0.00 N ATOM 625 CA GLY B 79 17.572 -4.522 -1.097 1.00 0.00 C ATOM 626 C GLY B 79 18.770 -5.119 -1.808 1.00 0.00 C ATOM 627 O GLY B 79 19.425 -6.022 -1.287 1.00 0.00 O ATOM 0 H GLY B 79 17.184 -2.473 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.375 -5.087 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.691 -4.622 -1.730 1.00 0.00 H new ATOM 631 N VAL B 80 19.057 -4.616 -3.005 1.00 0.00 N ATOM 632 CA VAL B 80 20.184 -5.106 -3.790 1.00 0.00 C ATOM 633 C VAL B 80 21.489 -4.986 -3.011 1.00 0.00 C ATOM 634 O VAL B 80 22.371 -5.837 -3.124 1.00 0.00 O ATOM 635 CB VAL B 80 20.319 -4.338 -5.118 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.519 -4.839 -5.906 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.043 -4.463 -5.937 1.00 0.00 C ATOM 0 H VAL B 80 18.525 -3.870 -3.452 1.00 0.00 H new ATOM 0 HA VAL B 80 19.988 -6.156 -4.005 1.00 0.00 H new ATOM 0 HB VAL B 80 20.478 -3.283 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.598 -4.284 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.426 -4.692 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.395 -5.900 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.156 -3.914 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.851 -5.514 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.207 -4.050 -5.373 1.00 0.00 H new ATOM 647 N MET B 81 21.605 -3.924 -2.221 1.00 0.00 N ATOM 648 CA MET B 81 22.803 -3.694 -1.421 1.00 0.00 C ATOM 649 C MET B 81 22.965 -4.779 -0.361 1.00 0.00 C ATOM 650 O MET B 81 24.050 -5.334 -0.189 1.00 0.00 O ATOM 651 CB MET B 81 22.741 -2.318 -0.755 1.00 0.00 C ATOM 652 CG MET B 81 23.128 -1.177 -1.681 1.00 0.00 C ATOM 653 SD MET B 81 24.914 -0.973 -1.822 1.00 0.00 S ATOM 654 CE MET B 81 25.255 0.031 -0.379 1.00 0.00 C ATOM 0 H MET B 81 20.885 -3.209 -2.117 1.00 0.00 H new ATOM 0 HA MET B 81 23.666 -3.729 -2.086 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.730 -2.148 -0.385 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.403 -2.312 0.111 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.708 -1.358 -2.670 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.688 -0.250 -1.313 1.00 0.00 H new ATOM 0 HE1 MET B 81 26.323 0.242 -0.327 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.703 0.968 -0.449 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.947 -0.506 0.519 1.00 0.00 H new ATOM 664 N ALA B 82 21.880 -5.075 0.347 1.00 0.00 N ATOM 665 CA ALA B 82 21.903 -6.094 1.389 1.00 0.00 C ATOM 666 C ALA B 82 22.218 -7.468 0.807 1.00 0.00 C ATOM 667 O ALA B 82 22.939 -8.259 1.412 1.00 0.00 O ATOM 668 CB ALA B 82 20.573 -6.124 2.128 1.00 0.00 C ATOM 0 H ALA B 82 20.974 -4.624 0.218 1.00 0.00 H new ATOM 0 HA ALA B 82 22.693 -5.838 2.095 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.605 -6.890 2.903 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.389 -5.152 2.585 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.771 -6.352 1.425 1.00 0.00 H new ATOM 674 N GLY B 83 21.671 -7.745 -0.373 1.00 0.00 N ATOM 675 CA GLY B 83 21.904 -9.024 -1.017 1.00 0.00 C ATOM 676 C GLY B 83 23.306 -9.142 -1.582 1.00 0.00 C ATOM 677 O GLY B 83 24.045 -10.065 -1.241 1.00 0.00 O ATOM 0 H GLY B 83 21.071 -7.106 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.737 -9.825 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.179 -9.160 -1.820 1.00 0.00 H new ATOM 681 N VAL B 84 23.674 -8.204 -2.449 1.00 0.00 N ATOM 682 CA VAL B 84 24.996 -8.207 -3.063 1.00 0.00 C ATOM 683 C VAL B 84 26.093 -8.238 -2.005 1.00 0.00 C ATOM 684 O VAL B 84 27.020 -9.045 -2.081 1.00 0.00 O ATOM 685 CB VAL B 84 25.200 -6.973 -3.962 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.614 -6.947 -4.522 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.173 -6.956 -5.085 1.00 0.00 C ATOM 0 H VAL B 84 23.075 -7.432 -2.742 1.00 0.00 H new ATOM 0 HA VAL B 84 25.059 -9.107 -3.674 1.00 0.00 H new ATOM 0 HB VAL B 84 25.058 -6.078 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.739 -6.068 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.330 -6.908 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.788 -7.847 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.332 -6.077 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.281 -7.856 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.170 -6.922 -4.660 1.00 0.00 H new ATOM 697 N ILE B 85 25.981 -7.354 -1.019 1.00 0.00 N ATOM 698 CA ILE B 85 26.963 -7.282 0.056 1.00 0.00 C ATOM 699 C ILE B 85 26.983 -8.571 0.871 1.00 0.00 C ATOM 700 O ILE B 85 28.043 -9.135 1.135 1.00 0.00 O ATOM 701 CB ILE B 85 26.681 -6.096 0.998 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.851 -4.772 0.251 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.601 -6.151 2.208 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.273 -4.507 -0.192 1.00 0.00 C ATOM 0 H ILE B 85 25.221 -6.678 -0.942 1.00 0.00 H new ATOM 0 HA ILE B 85 27.936 -7.138 -0.415 1.00 0.00 H new ATOM 0 HB ILE B 85 25.651 -6.164 1.347 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.200 -4.771 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.521 -3.956 0.894 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.390 -5.307 2.864 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.434 -7.082 2.750 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.639 -6.104 1.878 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.319 -3.552 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.926 -4.475 0.680 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.600 -5.303 -0.861 1.00 0.00 H new ATOM 716 N GLY B 86 25.800 -9.033 1.266 1.00 0.00 N ATOM 717 CA GLY B 86 25.703 -10.253 2.045 1.00 0.00 C ATOM 718 C GLY B 86 26.254 -11.457 1.308 1.00 0.00 C ATOM 719 O GLY B 86 26.856 -12.344 1.913 1.00 0.00 O ATOM 0 H GLY B 86 24.908 -8.584 1.060 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.244 -10.126 2.982 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.659 -10.434 2.302 1.00 0.00 H new ATOM 723 N THR B 87 26.047 -11.491 -0.005 1.00 0.00 N ATOM 724 CA THR B 87 26.525 -12.597 -0.826 1.00 0.00 C ATOM 725 C THR B 87 28.047 -12.603 -0.907 1.00 0.00 C ATOM 726 O THR B 87 28.693 -13.588 -0.549 1.00 0.00 O ATOM 727 CB THR B 87 25.946 -12.529 -2.252 1.00 0.00 C ATOM 728 OG1 THR B 87 24.515 -12.534 -2.200 1.00 0.00 O ATOM 729 CG2 THR B 87 26.432 -13.703 -3.089 1.00 0.00 C ATOM 0 H THR B 87 25.551 -10.765 -0.523 1.00 0.00 H new ATOM 0 HA THR B 87 26.186 -13.516 -0.348 1.00 0.00 H new ATOM 0 HB THR B 87 26.289 -11.605 -2.717 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.206 -11.807 -1.620 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.010 -13.634 -4.092 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.520 -13.680 -3.150 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.114 -14.637 -2.625 1.00 0.00 H new ATOM 737 N ILE B 88 28.614 -11.498 -1.380 1.00 0.00 N ATOM 738 CA ILE B 88 30.061 -11.377 -1.506 1.00 0.00 C ATOM 739 C ILE B 88 30.750 -11.588 -0.162 1.00 0.00 C ATOM 740 O ILE B 88 31.821 -12.191 -0.089 1.00 0.00 O ATOM 741 CB ILE B 88 30.463 -9.999 -2.065 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.799 -9.762 -3.423 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.977 -9.898 -2.185 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.979 -8.353 -3.945 1.00 0.00 C ATOM 0 H ILE B 88 28.094 -10.674 -1.682 1.00 0.00 H new ATOM 0 HA ILE B 88 30.383 -12.152 -2.202 1.00 0.00 H new ATOM 0 HB ILE B 88 30.120 -9.229 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.211 -10.465 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.734 -9.977 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.246 -8.919 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.429 -10.028 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.341 -10.674 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.483 -8.257 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.542 -7.645 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.042 -8.141 -4.060 1.00 0.00 H new ATOM 756 N LEU B 89 30.127 -11.091 0.900 1.00 0.00 N ATOM 757 CA LEU B 89 30.679 -11.227 2.244 1.00 0.00 C ATOM 758 C LEU B 89 30.716 -12.690 2.672 1.00 0.00 C ATOM 759 O LEU B 89 31.759 -13.203 3.080 1.00 0.00 O ATOM 760 CB LEU B 89 29.851 -10.413 3.241 1.00 0.00 C ATOM 761 CG LEU B 89 30.232 -8.939 3.383 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.182 -8.193 4.193 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.603 -8.801 4.028 1.00 0.00 C ATOM 0 H LEU B 89 29.239 -10.590 0.857 1.00 0.00 H new ATOM 0 HA LEU B 89 31.700 -10.846 2.231 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.804 -10.470 2.945 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.932 -10.885 4.220 1.00 0.00 H new ATOM 0 HG LEU B 89 30.276 -8.497 2.387 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.469 -7.145 4.284 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.217 -8.262 3.690 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.106 -8.636 5.186 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.857 -7.745 4.121 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.587 -9.259 5.017 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.348 -9.300 3.409 1.00 0.00 H new ATOM 775 N LEU B 90 29.572 -13.359 2.574 1.00 0.00 N ATOM 776 CA LEU B 90 29.474 -14.765 2.949 1.00 0.00 C ATOM 777 C LEU B 90 30.502 -15.603 2.194 1.00 0.00 C ATOM 778 O LEU B 90 31.232 -16.394 2.792 1.00 0.00 O ATOM 779 CB LEU B 90 28.065 -15.291 2.668 1.00 0.00 C ATOM 780 CG LEU B 90 27.573 -16.414 3.582 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.064 -16.339 3.754 1.00 0.00 C ATOM 782 CD2 LEU B 90 27.981 -17.771 3.027 1.00 0.00 C ATOM 0 H LEU B 90 28.700 -12.950 2.238 1.00 0.00 H new ATOM 0 HA LEU B 90 29.680 -14.846 4.016 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.366 -14.458 2.741 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.030 -15.646 1.638 1.00 0.00 H new ATOM 0 HG LEU B 90 28.037 -16.290 4.561 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.732 -17.146 4.407 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.795 -15.380 4.196 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.582 -16.438 2.782 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.622 -18.558 3.690 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.546 -17.905 2.037 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.067 -17.823 2.956 1.00 0.00 H new ATOM 794 N ILE B 91 30.554 -15.422 0.879 1.00 0.00 N ATOM 795 CA ILE B 91 31.495 -16.159 0.044 1.00 0.00 C ATOM 796 C ILE B 91 32.935 -15.791 0.383 1.00 0.00 C ATOM 797 O ILE B 91 33.744 -16.655 0.720 1.00 0.00 O ATOM 798 CB ILE B 91 31.247 -15.892 -1.453 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.822 -16.295 -1.836 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.262 -16.645 -2.300 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.492 -16.038 -3.290 1.00 0.00 C ATOM 0 H ILE B 91 29.956 -14.772 0.369 1.00 0.00 H new ATOM 0 HA ILE B 91 31.336 -17.218 0.247 1.00 0.00 H new ATOM 0 HB ILE B 91 31.366 -14.825 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.683 -17.355 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.117 -15.748 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.074 -16.447 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.268 -16.314 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.172 -17.715 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.466 -16.347 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.599 -14.975 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.173 -16.606 -3.924 1.00 0.00 H new ATOM 813 N SER B 92 33.248 -14.502 0.293 1.00 0.00 N ATOM 814 CA SER B 92 34.592 -14.020 0.588 1.00 0.00 C ATOM 815 C SER B 92 35.029 -14.451 1.985 1.00 0.00 C ATOM 816 O SER B 92 36.222 -14.561 2.268 1.00 0.00 O ATOM 817 CB SER B 92 34.647 -12.495 0.472 1.00 0.00 C ATOM 818 OG SER B 92 35.970 -12.018 0.644 1.00 0.00 O ATOM 0 H SER B 92 32.589 -13.773 0.018 1.00 0.00 H new ATOM 0 HA SER B 92 35.276 -14.457 -0.139 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.270 -12.188 -0.503 1.00 0.00 H new ATOM 0 HB3 SER B 92 33.995 -12.046 1.221 1.00 0.00 H new ATOM 0 HG SER B 92 35.979 -11.041 0.564 1.00 0.00 H new ATOM 824 N TYR B 93 34.055 -14.692 2.854 1.00 0.00 N ATOM 825 CA TYR B 93 34.337 -15.108 4.223 1.00 0.00 C ATOM 826 C TYR B 93 34.775 -16.569 4.269 1.00 0.00 C ATOM 827 O TYR B 93 35.802 -16.903 4.857 1.00 0.00 O ATOM 828 CB TYR B 93 33.104 -14.906 5.105 1.00 0.00 C ATOM 829 CG TYR B 93 33.350 -15.199 6.567 1.00 0.00 C ATOM 830 CD1 TYR B 93 34.435 -14.644 7.234 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.499 -16.033 7.282 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.665 -14.909 8.570 1.00 0.00 C ATOM 833 CE2 TYR B 93 32.720 -16.303 8.619 1.00 0.00 C ATOM 834 CZ TYR B 93 33.804 -15.739 9.258 1.00 0.00 C ATOM 835 OH TYR B 93 34.029 -16.007 10.589 1.00 0.00 O ATOM 0 H TYR B 93 33.062 -14.607 2.635 1.00 0.00 H new ATOM 0 HA TYR B 93 35.151 -14.491 4.602 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.759 -13.877 5.003 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.301 -15.549 4.745 1.00 0.00 H new ATOM 0 HD1 TYR B 93 35.111 -13.994 6.698 1.00 0.00 H new ATOM 0 HD2 TYR B 93 31.650 -16.478 6.784 1.00 0.00 H new ATOM 0 HE1 TYR B 93 35.514 -14.469 9.073 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.048 -16.952 9.160 1.00 0.00 H new ATOM 0 HH TYR B 93 33.331 -16.607 10.924 1.00 0.00 H new