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 79:sc= 0.455 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 56:sc= -0.714! USER MOD Single : B 92 SER OG : rot -30:sc= 0.349 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.707 -4.963 -4.299 1.00 0.00 N ATOM 79 CA LEU A 75 10.982 -4.328 -4.614 1.00 0.00 C ATOM 80 C LEU A 75 12.125 -4.992 -3.853 1.00 0.00 C ATOM 81 O LEU A 75 13.230 -5.136 -4.376 1.00 0.00 O ATOM 82 CB LEU A 75 10.928 -2.837 -4.277 1.00 0.00 C ATOM 83 CG LEU A 75 9.803 -2.039 -4.937 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.503 -0.779 -4.141 1.00 0.00 C ATOM 85 CD2 LEU A 75 10.169 -1.691 -6.373 1.00 0.00 C ATOM 0 HA LEU A 75 11.165 -4.447 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.834 -2.733 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.880 -2.387 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 75 8.905 -2.657 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.700 -0.225 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.197 -1.051 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.397 -0.157 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.357 -1.123 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.080 -1.092 -6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.332 -2.608 -6.939 1.00 0.00 H new ATOM 97 N ILE A 76 11.850 -5.397 -2.618 1.00 0.00 N ATOM 98 CA ILE A 76 12.854 -6.049 -1.787 1.00 0.00 C ATOM 99 C ILE A 76 13.239 -7.410 -2.356 1.00 0.00 C ATOM 100 O ILE A 76 14.419 -7.758 -2.416 1.00 0.00 O ATOM 101 CB ILE A 76 12.356 -6.232 -0.341 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.992 -4.878 0.272 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.413 -6.933 0.499 1.00 0.00 C ATOM 104 CD1 ILE A 76 13.179 -3.958 0.452 1.00 0.00 C ATOM 0 H ILE A 76 10.940 -5.285 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 76 13.729 -5.399 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 76 11.461 -6.854 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.255 -4.387 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.519 -5.042 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.046 -7.055 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.627 -7.912 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.324 -6.335 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.847 -3.017 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.908 -4.429 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.639 -3.764 -0.517 1.00 0.00 H new ATOM 116 N ILE A 77 12.236 -8.175 -2.775 1.00 0.00 N ATOM 117 CA ILE A 77 12.471 -9.497 -3.342 1.00 0.00 C ATOM 118 C ILE A 77 13.225 -9.402 -4.664 1.00 0.00 C ATOM 119 O ILE A 77 14.307 -9.969 -4.816 1.00 0.00 O ATOM 120 CB ILE A 77 11.149 -10.254 -3.572 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.542 -10.682 -2.234 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.379 -11.462 -4.467 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.349 -11.742 -1.517 1.00 0.00 C ATOM 0 H ILE A 77 11.254 -7.902 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 77 13.075 -10.047 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 77 10.447 -9.586 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.451 -9.808 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.533 -11.058 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.436 -11.986 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.771 -11.133 -5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.095 -12.134 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.860 -11.997 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.419 -12.632 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.350 -11.362 -1.314 1.00 0.00 H new ATOM 135 N PHE A 78 12.647 -8.680 -5.618 1.00 0.00 N ATOM 136 CA PHE A 78 13.265 -8.509 -6.928 1.00 0.00 C ATOM 137 C PHE A 78 14.621 -7.820 -6.804 1.00 0.00 C ATOM 138 O PHE A 78 15.524 -8.055 -7.606 1.00 0.00 O ATOM 139 CB PHE A 78 12.349 -7.696 -7.845 1.00 0.00 C ATOM 140 CG PHE A 78 12.995 -7.305 -9.144 1.00 0.00 C ATOM 141 CD1 PHE A 78 12.915 -8.135 -10.250 1.00 0.00 C ATOM 142 CD2 PHE A 78 13.681 -6.107 -9.258 1.00 0.00 C ATOM 143 CE1 PHE A 78 13.509 -7.777 -11.446 1.00 0.00 C ATOM 144 CE2 PHE A 78 14.277 -5.744 -10.451 1.00 0.00 C ATOM 145 CZ PHE A 78 14.190 -6.580 -11.547 1.00 0.00 C ATOM 0 H PHE A 78 11.752 -8.204 -5.509 1.00 0.00 H new ATOM 0 HA PHE A 78 13.418 -9.497 -7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.451 -8.277 -8.055 1.00 0.00 H new ATOM 0 HB3 PHE A 78 12.031 -6.795 -7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 78 12.383 -9.072 -10.177 1.00 0.00 H new ATOM 0 HD2 PHE A 78 13.751 -5.449 -8.405 1.00 0.00 H new ATOM 0 HE1 PHE A 78 13.440 -8.433 -12.301 1.00 0.00 H new ATOM 0 HE2 PHE A 78 14.810 -4.808 -10.526 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.654 -6.298 -12.481 1.00 0.00 H new ATOM 155 N GLY A 79 14.754 -6.968 -5.793 1.00 0.00 N ATOM 156 CA GLY A 79 16.002 -6.257 -5.582 1.00 0.00 C ATOM 157 C GLY A 79 17.122 -7.173 -5.130 1.00 0.00 C ATOM 158 O GLY A 79 18.112 -7.352 -5.840 1.00 0.00 O ATOM 0 H GLY A 79 14.021 -6.757 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.294 -5.760 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.851 -5.477 -4.835 1.00 0.00 H new ATOM 162 N VAL A 80 16.968 -7.753 -3.944 1.00 0.00 N ATOM 163 CA VAL A 80 17.975 -8.656 -3.398 1.00 0.00 C ATOM 164 C VAL A 80 18.249 -9.814 -4.350 1.00 0.00 C ATOM 165 O VAL A 80 19.381 -10.281 -4.466 1.00 0.00 O ATOM 166 CB VAL A 80 17.541 -9.220 -2.032 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.590 -10.180 -1.493 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.284 -8.089 -1.047 1.00 0.00 C ATOM 0 H VAL A 80 16.156 -7.614 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 80 18.887 -8.073 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 80 16.612 -9.774 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.266 -10.568 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.720 -11.007 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.537 -9.654 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.978 -8.505 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.196 -7.506 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.494 -7.444 -1.431 1.00 0.00 H new ATOM 178 N MET A 81 17.204 -10.273 -5.031 1.00 0.00 N ATOM 179 CA MET A 81 17.332 -11.377 -5.975 1.00 0.00 C ATOM 180 C MET A 81 18.206 -10.979 -7.161 1.00 0.00 C ATOM 181 O MET A 81 19.103 -11.721 -7.559 1.00 0.00 O ATOM 182 CB MET A 81 15.953 -11.818 -6.468 1.00 0.00 C ATOM 183 CG MET A 81 15.204 -12.693 -5.476 1.00 0.00 C ATOM 184 SD MET A 81 15.865 -14.369 -5.391 1.00 0.00 S ATOM 185 CE MET A 81 15.264 -14.888 -3.785 1.00 0.00 C ATOM 0 H MET A 81 16.259 -9.898 -4.947 1.00 0.00 H new ATOM 0 HA MET A 81 17.808 -12.210 -5.458 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.354 -10.934 -6.685 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.068 -12.362 -7.405 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.252 -12.237 -4.487 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.152 -12.735 -5.757 1.00 0.00 H new ATOM 0 HE1 MET A 81 15.592 -15.908 -3.586 1.00 0.00 H new ATOM 0 HE2 MET A 81 15.659 -14.224 -3.016 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.175 -14.848 -3.774 1.00 0.00 H new ATOM 195 N ALA A 82 17.936 -9.805 -7.721 1.00 0.00 N ATOM 196 CA ALA A 82 18.699 -9.308 -8.859 1.00 0.00 C ATOM 197 C ALA A 82 20.162 -9.093 -8.488 1.00 0.00 C ATOM 198 O ALA A 82 21.061 -9.368 -9.282 1.00 0.00 O ATOM 199 CB ALA A 82 18.089 -8.015 -9.380 1.00 0.00 C ATOM 0 H ALA A 82 17.194 -9.180 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 82 18.658 -10.059 -9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.669 -7.655 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.061 -8.198 -9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.099 -7.264 -8.590 1.00 0.00 H new ATOM 205 N GLY A 83 20.394 -8.597 -7.276 1.00 0.00 N ATOM 206 CA GLY A 83 21.750 -8.352 -6.822 1.00 0.00 C ATOM 207 C GLY A 83 22.493 -9.633 -6.497 1.00 0.00 C ATOM 208 O GLY A 83 23.562 -9.896 -7.049 1.00 0.00 O ATOM 0 H GLY A 83 19.667 -8.361 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.294 -7.805 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.724 -7.716 -5.937 1.00 0.00 H new ATOM 212 N VAL A 84 21.928 -10.431 -5.598 1.00 0.00 N ATOM 213 CA VAL A 84 22.544 -11.691 -5.199 1.00 0.00 C ATOM 214 C VAL A 84 22.820 -12.575 -6.411 1.00 0.00 C ATOM 215 O VAL A 84 23.927 -13.089 -6.577 1.00 0.00 O ATOM 216 CB VAL A 84 21.653 -12.463 -4.208 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.269 -13.813 -3.875 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.429 -11.644 -2.945 1.00 0.00 C ATOM 0 H VAL A 84 21.044 -10.228 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 84 23.486 -11.442 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 84 20.685 -12.639 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.625 -14.344 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.373 -14.400 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.251 -13.664 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.797 -12.204 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.388 -11.436 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.941 -10.704 -3.203 1.00 0.00 H new ATOM 228 N ILE A 85 21.808 -12.746 -7.255 1.00 0.00 N ATOM 229 CA ILE A 85 21.943 -13.566 -8.452 1.00 0.00 C ATOM 230 C ILE A 85 22.986 -12.986 -9.401 1.00 0.00 C ATOM 231 O ILE A 85 23.880 -13.692 -9.864 1.00 0.00 O ATOM 232 CB ILE A 85 20.602 -13.697 -9.198 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.589 -14.460 -8.342 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.806 -14.395 -10.535 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.974 -15.901 -8.091 1.00 0.00 C ATOM 0 H ILE A 85 20.886 -12.328 -7.132 1.00 0.00 H new ATOM 0 HA ILE A 85 22.265 -14.554 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 85 20.209 -12.698 -9.387 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.477 -13.950 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.616 -14.433 -8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.849 -14.480 -11.051 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.497 -13.815 -11.146 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.217 -15.390 -10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.211 -16.380 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.058 -16.426 -9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.932 -15.937 -7.572 1.00 0.00 H new ATOM 247 N GLY A 86 22.865 -11.693 -9.686 1.00 0.00 N ATOM 248 CA GLY A 86 23.804 -11.038 -10.577 1.00 0.00 C ATOM 249 C GLY A 86 25.231 -11.108 -10.069 1.00 0.00 C ATOM 250 O GLY A 86 26.174 -11.217 -10.853 1.00 0.00 O ATOM 0 H GLY A 86 22.133 -11.087 -9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.749 -11.501 -11.562 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.516 -9.994 -10.699 1.00 0.00 H new ATOM 254 N THR A 87 25.391 -11.044 -8.751 1.00 0.00 N ATOM 255 CA THR A 87 26.713 -11.098 -8.138 1.00 0.00 C ATOM 256 C THR A 87 27.337 -12.480 -8.298 1.00 0.00 C ATOM 257 O THR A 87 28.405 -12.623 -8.894 1.00 0.00 O ATOM 258 CB THR A 87 26.652 -10.745 -6.640 1.00 0.00 C ATOM 259 OG1 THR A 87 26.149 -9.415 -6.470 1.00 0.00 O ATOM 260 CG2 THR A 87 28.029 -10.858 -6.002 1.00 0.00 C ATOM 0 H THR A 87 24.622 -10.955 -8.087 1.00 0.00 H new ATOM 0 HA THR A 87 27.331 -10.362 -8.652 1.00 0.00 H new ATOM 0 HB THR A 87 25.982 -11.451 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.174 -9.418 -6.571 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.962 -10.604 -4.944 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.396 -11.879 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.717 -10.172 -6.497 1.00 0.00 H new ATOM 268 N ILE A 88 26.664 -13.493 -7.764 1.00 0.00 N ATOM 269 CA ILE A 88 27.153 -14.864 -7.850 1.00 0.00 C ATOM 270 C ILE A 88 27.414 -15.265 -9.298 1.00 0.00 C ATOM 271 O ILE A 88 28.382 -15.965 -9.595 1.00 0.00 O ATOM 272 CB ILE A 88 26.156 -15.857 -7.226 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.903 -15.505 -5.759 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.678 -17.281 -7.352 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.914 -16.426 -5.078 1.00 0.00 C ATOM 0 H ILE A 88 25.779 -13.391 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 88 28.088 -14.901 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 88 25.211 -15.788 -7.765 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.849 -15.537 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.535 -14.481 -5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.962 -17.972 -6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.812 -17.527 -8.405 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.634 -17.365 -6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.784 -16.117 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.955 -16.377 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 88 25.290 -17.449 -5.107 1.00 0.00 H new ATOM 287 N LEU A 89 26.545 -14.814 -10.196 1.00 0.00 N ATOM 288 CA LEU A 89 26.681 -15.124 -11.615 1.00 0.00 C ATOM 289 C LEU A 89 27.947 -14.497 -12.190 1.00 0.00 C ATOM 290 O LEU A 89 28.786 -15.186 -12.772 1.00 0.00 O ATOM 291 CB LEU A 89 25.457 -14.627 -12.386 1.00 0.00 C ATOM 292 CG LEU A 89 24.261 -15.578 -12.431 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.076 -14.913 -13.114 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.633 -16.870 -13.142 1.00 0.00 C ATOM 0 H LEU A 89 25.739 -14.233 -9.967 1.00 0.00 H new ATOM 0 HA LEU A 89 26.753 -16.207 -11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.131 -13.686 -11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.761 -14.409 -13.410 1.00 0.00 H new ATOM 0 HG LEU A 89 23.975 -15.820 -11.407 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.234 -15.605 -13.137 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.794 -14.016 -12.562 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.349 -14.641 -14.133 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.769 -17.535 -13.164 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.946 -16.647 -14.162 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.451 -17.356 -12.610 1.00 0.00 H new ATOM 306 N LEU A 90 28.081 -13.186 -12.022 1.00 0.00 N ATOM 307 CA LEU A 90 29.247 -12.465 -12.522 1.00 0.00 C ATOM 308 C LEU A 90 30.538 -13.096 -12.010 1.00 0.00 C ATOM 309 O LEU A 90 31.458 -13.364 -12.783 1.00 0.00 O ATOM 310 CB LEU A 90 29.182 -10.996 -12.101 1.00 0.00 C ATOM 311 CG LEU A 90 29.842 -9.996 -13.050 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.146 -8.646 -12.972 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.323 -9.854 -12.729 1.00 0.00 C ATOM 0 H LEU A 90 27.397 -12.600 -11.543 1.00 0.00 H new ATOM 0 HA LEU A 90 29.242 -12.525 -13.610 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.134 -10.718 -11.984 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.649 -10.899 -11.121 1.00 0.00 H new ATOM 0 HG LEU A 90 29.746 -10.373 -14.068 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.630 -7.947 -13.654 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.099 -8.760 -13.252 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.210 -8.262 -11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.777 -9.138 -13.414 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.441 -9.501 -11.705 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.813 -10.821 -12.838 1.00 0.00 H new ATOM 325 N ILE A 91 30.598 -13.332 -10.704 1.00 0.00 N ATOM 326 CA ILE A 91 31.775 -13.934 -10.090 1.00 0.00 C ATOM 327 C ILE A 91 31.997 -15.353 -10.603 1.00 0.00 C ATOM 328 O ILE A 91 33.063 -15.674 -11.127 1.00 0.00 O ATOM 329 CB ILE A 91 31.654 -13.968 -8.555 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.473 -12.552 -8.005 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.880 -14.628 -7.942 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.304 -12.504 -6.502 1.00 0.00 C ATOM 0 H ILE A 91 29.845 -13.116 -10.051 1.00 0.00 H new ATOM 0 HA ILE A 91 32.627 -13.313 -10.365 1.00 0.00 H new ATOM 0 HB ILE A 91 30.777 -14.556 -8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.337 -11.949 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.601 -12.097 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.780 -14.645 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.968 -15.649 -8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.772 -14.064 -8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.181 -11.469 -6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.423 -13.079 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.186 -12.929 -6.023 1.00 0.00 H new ATOM 344 N SER A 92 30.982 -16.197 -10.449 1.00 0.00 N ATOM 345 CA SER A 92 31.067 -17.583 -10.894 1.00 0.00 C ATOM 346 C SER A 92 31.453 -17.657 -12.369 1.00 0.00 C ATOM 347 O SER A 92 32.021 -18.650 -12.824 1.00 0.00 O ATOM 348 CB SER A 92 29.732 -18.296 -10.668 1.00 0.00 C ATOM 349 OG SER A 92 29.694 -19.537 -11.353 1.00 0.00 O ATOM 0 H SER A 92 30.092 -15.945 -10.020 1.00 0.00 H new ATOM 0 HA SER A 92 31.840 -18.080 -10.308 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.580 -18.461 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.915 -17.662 -11.012 1.00 0.00 H new ATOM 0 HG SER A 92 28.832 -19.974 -11.191 1.00 0.00 H new ATOM 355 N TYR A 93 31.140 -16.600 -13.109 1.00 0.00 N ATOM 356 CA TYR A 93 31.451 -16.545 -14.532 1.00 0.00 C ATOM 357 C TYR A 93 32.960 -16.535 -14.761 1.00 0.00 C ATOM 358 O TYR A 93 33.469 -17.218 -15.648 1.00 0.00 O ATOM 359 CB TYR A 93 30.821 -15.303 -15.166 1.00 0.00 C ATOM 360 CG TYR A 93 30.810 -15.334 -16.678 1.00 0.00 C ATOM 361 CD1 TYR A 93 29.982 -16.209 -17.369 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.628 -14.486 -17.415 1.00 0.00 C ATOM 363 CE1 TYR A 93 29.970 -16.241 -18.750 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.621 -14.510 -18.796 1.00 0.00 C ATOM 365 CZ TYR A 93 30.791 -15.389 -19.459 1.00 0.00 C ATOM 366 OH TYR A 93 30.781 -15.417 -20.835 1.00 0.00 O ATOM 0 H TYR A 93 30.671 -15.770 -12.747 1.00 0.00 H new ATOM 0 HA TYR A 93 31.036 -17.436 -15.002 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.797 -15.201 -14.806 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.366 -14.419 -14.833 1.00 0.00 H new ATOM 0 HD1 TYR A 93 29.336 -16.876 -16.817 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.280 -13.797 -16.899 1.00 0.00 H new ATOM 0 HE1 TYR A 93 29.321 -16.929 -19.272 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.262 -13.844 -19.354 1.00 0.00 H new ATOM 0 HH TYR A 93 31.415 -14.755 -21.180 1.00 0.00 H new ATOM 547 N LEU B 75 13.708 0.971 -1.198 1.00 0.00 N ATOM 548 CA LEU B 75 13.622 -0.472 -1.004 1.00 0.00 C ATOM 549 C LEU B 75 14.531 -1.208 -1.984 1.00 0.00 C ATOM 550 O LEU B 75 15.152 -2.212 -1.635 1.00 0.00 O ATOM 551 CB LEU B 75 12.178 -0.944 -1.177 1.00 0.00 C ATOM 552 CG LEU B 75 11.101 -0.052 -0.559 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.720 -0.649 -0.781 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.364 0.151 0.926 1.00 0.00 C ATOM 0 HA LEU B 75 13.953 -0.698 0.010 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.974 -1.040 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.088 -1.940 -0.744 1.00 0.00 H new ATOM 0 HG LEU B 75 11.137 0.920 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.967 0.000 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.531 -0.741 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.671 -1.634 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.588 0.788 1.349 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.357 -0.814 1.432 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.336 0.625 1.062 1.00 0.00 H new ATOM 566 N ILE B 76 14.604 -0.701 -3.210 1.00 0.00 N ATOM 567 CA ILE B 76 15.439 -1.308 -4.239 1.00 0.00 C ATOM 568 C ILE B 76 16.918 -1.185 -3.889 1.00 0.00 C ATOM 569 O ILE B 76 17.686 -2.134 -4.054 1.00 0.00 O ATOM 570 CB ILE B 76 15.193 -0.664 -5.616 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.705 -0.711 -5.967 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.017 -1.368 -6.684 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.341 0.126 -7.174 1.00 0.00 C ATOM 0 H ILE B 76 14.095 0.129 -3.515 1.00 0.00 H new ATOM 0 HA ILE B 76 15.166 -2.362 -4.287 1.00 0.00 H new ATOM 0 HB ILE B 76 15.504 0.380 -5.573 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.416 -1.746 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.127 -0.367 -5.109 1.00 0.00 H new ATOM 0 HG21 ILE B 76 15.833 -0.902 -7.652 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.076 -1.288 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.734 -2.420 -6.728 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.271 0.045 -7.364 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.598 1.168 -6.985 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.892 -0.231 -8.044 1.00 0.00 H new ATOM 585 N ILE B 77 17.310 -0.012 -3.405 1.00 0.00 N ATOM 586 CA ILE B 77 18.697 0.234 -3.030 1.00 0.00 C ATOM 587 C ILE B 77 19.104 -0.625 -1.838 1.00 0.00 C ATOM 588 O ILE B 77 20.063 -1.394 -1.912 1.00 0.00 O ATOM 589 CB ILE B 77 18.933 1.716 -2.684 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.888 2.571 -3.952 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.264 1.888 -1.969 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.049 2.322 -4.890 1.00 0.00 C ATOM 0 H ILE B 77 16.687 0.783 -3.263 1.00 0.00 H new ATOM 0 HA ILE B 77 19.309 -0.031 -3.892 1.00 0.00 H new ATOM 0 HB ILE B 77 18.139 2.049 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE B 77 17.955 2.374 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.878 3.624 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.416 2.941 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.260 1.305 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.071 1.542 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE B 77 19.952 2.962 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE B 77 20.985 2.547 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.048 1.277 -5.201 1.00 0.00 H new ATOM 604 N PHE B 78 18.369 -0.491 -0.739 1.00 0.00 N ATOM 605 CA PHE B 78 18.652 -1.255 0.469 1.00 0.00 C ATOM 606 C PHE B 78 18.548 -2.754 0.202 1.00 0.00 C ATOM 607 O PHE B 78 19.247 -3.556 0.820 1.00 0.00 O ATOM 608 CB PHE B 78 17.688 -0.857 1.588 1.00 0.00 C ATOM 609 CG PHE B 78 17.777 -1.741 2.799 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.012 -2.893 2.891 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.626 -1.420 3.847 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.092 -3.708 4.004 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.710 -2.232 4.962 1.00 0.00 C ATOM 614 CZ PHE B 78 17.942 -3.377 5.041 1.00 0.00 C ATOM 0 H PHE B 78 17.572 0.141 -0.661 1.00 0.00 H new ATOM 0 HA PHE B 78 19.672 -1.029 0.780 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.892 0.172 1.884 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.668 -0.882 1.204 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.345 -3.157 2.083 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.228 -0.525 3.791 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.490 -4.603 4.063 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.376 -1.971 5.771 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.006 -4.012 5.912 1.00 0.00 H new ATOM 624 N GLY B 79 17.668 -3.124 -0.724 1.00 0.00 N ATOM 625 CA GLY B 79 17.487 -4.525 -1.057 1.00 0.00 C ATOM 626 C GLY B 79 18.690 -5.112 -1.768 1.00 0.00 C ATOM 627 O GLY B 79 19.355 -6.006 -1.244 1.00 0.00 O ATOM 0 H GLY B 79 17.078 -2.479 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.296 -5.090 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.606 -4.634 -1.690 1.00 0.00 H new ATOM 631 N VAL B 80 18.971 -4.610 -2.966 1.00 0.00 N ATOM 632 CA VAL B 80 20.102 -5.091 -3.751 1.00 0.00 C ATOM 633 C VAL B 80 21.406 -4.963 -2.971 1.00 0.00 C ATOM 634 O VAL B 80 22.295 -5.806 -3.086 1.00 0.00 O ATOM 635 CB VAL B 80 20.233 -4.321 -5.078 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.436 -4.814 -5.866 1.00 0.00 C ATOM 637 CG2 VAL B 80 18.958 -4.452 -5.898 1.00 0.00 C ATOM 0 H VAL B 80 18.431 -3.870 -3.415 1.00 0.00 H new ATOM 0 HA VAL B 80 19.913 -6.142 -3.967 1.00 0.00 H new ATOM 0 HB VAL B 80 20.386 -3.266 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.512 -4.258 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.342 -4.663 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.318 -5.875 -6.084 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.068 -3.902 -6.832 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.772 -5.504 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.119 -4.045 -5.334 1.00 0.00 H new ATOM 647 N MET B 81 21.512 -3.902 -2.177 1.00 0.00 N ATOM 648 CA MET B 81 22.707 -3.664 -1.376 1.00 0.00 C ATOM 649 C MET B 81 22.878 -4.750 -0.318 1.00 0.00 C ATOM 650 O MET B 81 23.966 -5.300 -0.150 1.00 0.00 O ATOM 651 CB MET B 81 22.634 -2.291 -0.707 1.00 0.00 C ATOM 652 CG MET B 81 23.017 -1.144 -1.628 1.00 0.00 C ATOM 653 SD MET B 81 24.548 -0.333 -1.129 1.00 0.00 S ATOM 654 CE MET B 81 24.325 1.288 -1.855 1.00 0.00 C ATOM 0 H MET B 81 20.785 -3.194 -2.071 1.00 0.00 H new ATOM 0 HA MET B 81 23.570 -3.690 -2.041 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.621 -2.128 -0.340 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.292 -2.284 0.162 1.00 0.00 H new ATOM 0 HG2 MET B 81 23.125 -1.521 -2.645 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.211 -0.411 -1.643 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.193 1.909 -1.633 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.215 1.191 -2.935 1.00 0.00 H new ATOM 0 HE3 MET B 81 23.431 1.753 -1.440 1.00 0.00 H new ATOM 664 N ALA B 82 21.796 -5.053 0.392 1.00 0.00 N ATOM 665 CA ALA B 82 21.826 -6.074 1.431 1.00 0.00 C ATOM 666 C ALA B 82 22.153 -7.444 0.846 1.00 0.00 C ATOM 667 O ALA B 82 22.880 -8.231 1.452 1.00 0.00 O ATOM 668 CB ALA B 82 20.495 -6.117 2.168 1.00 0.00 C ATOM 0 H ALA B 82 20.888 -4.606 0.266 1.00 0.00 H new ATOM 0 HA ALA B 82 22.613 -5.813 2.139 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.532 -6.884 2.941 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.302 -5.148 2.628 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.696 -6.350 1.464 1.00 0.00 H new ATOM 674 N GLY B 83 21.611 -7.723 -0.335 1.00 0.00 N ATOM 675 CA GLY B 83 21.857 -8.999 -0.981 1.00 0.00 C ATOM 676 C GLY B 83 23.261 -9.104 -1.541 1.00 0.00 C ATOM 677 O GLY B 83 24.003 -10.028 -1.206 1.00 0.00 O ATOM 0 H GLY B 83 21.006 -7.088 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.694 -9.803 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.136 -9.140 -1.787 1.00 0.00 H new ATOM 681 N VAL B 84 23.627 -8.157 -2.399 1.00 0.00 N ATOM 682 CA VAL B 84 24.952 -8.148 -3.008 1.00 0.00 C ATOM 683 C VAL B 84 26.045 -8.181 -1.945 1.00 0.00 C ATOM 684 O VAL B 84 26.977 -8.983 -2.023 1.00 0.00 O ATOM 685 CB VAL B 84 25.153 -6.906 -3.897 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.572 -6.864 -4.443 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.136 -6.892 -5.028 1.00 0.00 C ATOM 0 H VAL B 84 23.025 -7.386 -2.688 1.00 0.00 H new ATOM 0 HA VAL B 84 25.023 -9.043 -3.626 1.00 0.00 H new ATOM 0 HB VAL B 84 24.998 -6.015 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.695 -5.980 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.279 -6.824 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.760 -7.758 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.292 -6.008 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.257 -7.787 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.129 -6.870 -4.612 1.00 0.00 H new ATOM 697 N ILE B 85 25.925 -7.305 -0.953 1.00 0.00 N ATOM 698 CA ILE B 85 26.902 -7.235 0.126 1.00 0.00 C ATOM 699 C ILE B 85 26.930 -8.532 0.927 1.00 0.00 C ATOM 700 O ILE B 85 27.993 -9.099 1.174 1.00 0.00 O ATOM 701 CB ILE B 85 26.606 -6.062 1.079 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.746 -4.729 0.341 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.536 -6.109 2.282 1.00 0.00 C ATOM 704 CD1 ILE B 85 26.020 -3.586 1.016 1.00 0.00 C ATOM 0 H ILE B 85 25.161 -6.634 -0.874 1.00 0.00 H new ATOM 0 HA ILE B 85 27.875 -7.077 -0.339 1.00 0.00 H new ATOM 0 HB ILE B 85 25.580 -6.152 1.435 1.00 0.00 H new ATOM 0 HG12 ILE B 85 27.804 -4.478 0.257 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.364 -4.843 -0.674 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.314 -5.274 2.946 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.391 -7.047 2.818 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.570 -6.040 1.945 1.00 0.00 H new ATOM 0 HD11 ILE B 85 26.163 -2.673 0.438 1.00 0.00 H new ATOM 0 HD12 ILE B 85 24.956 -3.815 1.076 1.00 0.00 H new ATOM 0 HD13 ILE B 85 26.418 -3.445 2.021 1.00 0.00 H new ATOM 716 N GLY B 86 25.751 -8.998 1.330 1.00 0.00 N ATOM 717 CA GLY B 86 25.662 -10.226 2.098 1.00 0.00 C ATOM 718 C GLY B 86 26.228 -11.418 1.352 1.00 0.00 C ATOM 719 O GLY B 86 26.828 -12.310 1.954 1.00 0.00 O ATOM 0 H GLY B 86 24.857 -8.547 1.138 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.198 -10.102 3.039 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.619 -10.420 2.348 1.00 0.00 H new ATOM 723 N THR B 87 26.036 -11.437 0.037 1.00 0.00 N ATOM 724 CA THR B 87 26.528 -12.530 -0.792 1.00 0.00 C ATOM 725 C THR B 87 28.051 -12.522 -0.865 1.00 0.00 C ATOM 726 O THR B 87 28.705 -13.492 -0.481 1.00 0.00 O ATOM 727 CB THR B 87 25.957 -12.453 -2.221 1.00 0.00 C ATOM 728 OG1 THR B 87 24.526 -12.482 -2.178 1.00 0.00 O ATOM 729 CG2 THR B 87 26.468 -13.607 -3.070 1.00 0.00 C ATOM 0 H THR B 87 25.543 -10.707 -0.477 1.00 0.00 H new ATOM 0 HA THR B 87 26.194 -13.456 -0.324 1.00 0.00 H new ATOM 0 HB THR B 87 26.288 -11.517 -2.672 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.201 -11.754 -1.608 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.052 -13.532 -4.075 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.556 -13.565 -3.124 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.163 -14.552 -2.621 1.00 0.00 H new ATOM 737 N ILE B 88 28.609 -11.422 -1.358 1.00 0.00 N ATOM 738 CA ILE B 88 30.056 -11.288 -1.478 1.00 0.00 C ATOM 739 C ILE B 88 30.742 -11.515 -0.136 1.00 0.00 C ATOM 740 O ILE B 88 31.811 -12.124 -0.068 1.00 0.00 O ATOM 741 CB ILE B 88 30.450 -9.900 -2.016 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.787 -9.647 -3.372 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.963 -9.786 -2.129 1.00 0.00 C ATOM 744 CD1 ILE B 88 30.011 -8.248 -3.902 1.00 0.00 C ATOM 0 H ILE B 88 28.082 -10.611 -1.681 1.00 0.00 H new ATOM 0 HA ILE B 88 30.386 -12.049 -2.185 1.00 0.00 H new ATOM 0 HB ILE B 88 30.100 -9.142 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.171 -10.367 -4.095 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.715 -9.826 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.226 -8.799 -2.511 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.413 -9.927 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.336 -10.550 -2.811 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.513 -8.140 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.602 -7.523 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.080 -8.072 -4.024 1.00 0.00 H new ATOM 756 N LEU B 89 30.121 -11.025 0.931 1.00 0.00 N ATOM 757 CA LEU B 89 30.671 -11.175 2.273 1.00 0.00 C ATOM 758 C LEU B 89 30.702 -12.643 2.687 1.00 0.00 C ATOM 759 O LEU B 89 31.744 -13.165 3.085 1.00 0.00 O ATOM 760 CB LEU B 89 29.846 -10.368 3.277 1.00 0.00 C ATOM 761 CG LEU B 89 30.173 -8.876 3.368 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.173 -8.165 4.267 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.591 -8.671 3.879 1.00 0.00 C ATOM 0 H LEU B 89 29.236 -10.520 0.893 1.00 0.00 H new ATOM 0 HA LEU B 89 31.693 -10.797 2.265 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.792 -10.474 3.019 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.979 -10.810 4.265 1.00 0.00 H new ATOM 0 HG LEU B 89 30.103 -8.446 2.369 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.421 -7.105 4.320 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.169 -8.283 3.859 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.211 -8.597 5.267 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.806 -7.604 3.937 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.689 -9.115 4.869 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.296 -9.146 3.197 1.00 0.00 H new ATOM 775 N LEU B 90 29.554 -13.304 2.590 1.00 0.00 N ATOM 776 CA LEU B 90 29.449 -14.713 2.953 1.00 0.00 C ATOM 777 C LEU B 90 30.469 -15.550 2.186 1.00 0.00 C ATOM 778 O LEU B 90 31.196 -16.351 2.774 1.00 0.00 O ATOM 779 CB LEU B 90 28.036 -15.228 2.673 1.00 0.00 C ATOM 780 CG LEU B 90 27.541 -16.356 3.579 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.022 -16.424 3.566 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.140 -17.688 3.149 1.00 0.00 C ATOM 0 H LEU B 90 28.683 -12.887 2.263 1.00 0.00 H new ATOM 0 HA LEU B 90 29.658 -14.805 4.019 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.343 -14.391 2.757 1.00 0.00 H new ATOM 0 HB3 LEU B 90 27.995 -15.574 1.640 1.00 0.00 H new ATOM 0 HG LEU B 90 27.866 -16.146 4.598 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.688 -17.233 4.216 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.612 -15.479 3.923 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.675 -16.609 2.550 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.777 -18.479 3.805 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.846 -17.905 2.122 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.227 -17.635 3.212 1.00 0.00 H new ATOM 794 N ILE B 91 30.518 -15.356 0.873 1.00 0.00 N ATOM 795 CA ILE B 91 31.451 -16.090 0.027 1.00 0.00 C ATOM 796 C ILE B 91 32.895 -15.739 0.368 1.00 0.00 C ATOM 797 O ILE B 91 33.695 -16.613 0.700 1.00 0.00 O ATOM 798 CB ILE B 91 31.203 -15.803 -1.466 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.773 -16.185 -1.850 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.208 -16.557 -2.324 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.442 -15.905 -3.300 1.00 0.00 C ATOM 0 H ILE B 91 29.923 -14.697 0.372 1.00 0.00 H new ATOM 0 HA ILE B 91 31.283 -17.150 0.217 1.00 0.00 H new ATOM 0 HB ILE B 91 31.333 -14.735 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.622 -17.246 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.076 -15.638 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.020 -16.344 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.218 -16.240 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.107 -17.628 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.412 -16.200 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.560 -14.840 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.115 -16.473 -3.943 1.00 0.00 H new ATOM 813 N SER B 92 33.221 -14.453 0.286 1.00 0.00 N ATOM 814 CA SER B 92 34.569 -13.985 0.584 1.00 0.00 C ATOM 815 C SER B 92 35.004 -14.433 1.976 1.00 0.00 C ATOM 816 O SER B 92 36.197 -14.560 2.255 1.00 0.00 O ATOM 817 CB SER B 92 34.637 -12.460 0.483 1.00 0.00 C ATOM 818 OG SER B 92 34.021 -11.847 1.602 1.00 0.00 O ATOM 0 H SER B 92 32.569 -13.716 0.015 1.00 0.00 H new ATOM 0 HA SER B 92 35.248 -14.421 -0.149 1.00 0.00 H new ATOM 0 HB2 SER B 92 35.678 -12.143 0.418 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.145 -12.131 -0.432 1.00 0.00 H new ATOM 0 HG SER B 92 33.297 -12.420 1.931 1.00 0.00 H new ATOM 824 N TYR B 93 34.029 -14.672 2.846 1.00 0.00 N ATOM 825 CA TYR B 93 34.309 -15.104 4.210 1.00 0.00 C ATOM 826 C TYR B 93 34.745 -16.566 4.239 1.00 0.00 C ATOM 827 O TYR B 93 35.778 -16.906 4.815 1.00 0.00 O ATOM 828 CB TYR B 93 33.075 -14.910 5.092 1.00 0.00 C ATOM 829 CG TYR B 93 33.321 -15.218 6.552 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.960 -14.302 7.378 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.912 -16.425 7.106 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.187 -14.580 8.712 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.133 -16.711 8.439 1.00 0.00 C ATOM 834 CZ TYR B 93 33.772 -15.785 9.238 1.00 0.00 C ATOM 835 OH TYR B 93 33.994 -16.065 10.567 1.00 0.00 O ATOM 0 H TYR B 93 33.037 -14.574 2.631 1.00 0.00 H new ATOM 0 HA TYR B 93 35.124 -14.493 4.598 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.731 -13.880 4.999 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.272 -15.549 4.725 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.285 -13.356 6.970 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.412 -17.152 6.483 1.00 0.00 H new ATOM 0 HE1 TYR B 93 34.687 -13.857 9.340 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.808 -17.654 8.854 1.00 0.00 H new ATOM 0 HH TYR B 93 33.640 -16.954 10.778 1.00 0.00 H new