USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 368 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 20 THR OG1 : rot 74:sc= -0.506 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 110:sc= -5.47! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLY A 7 37.595 9.659 8.448 1.00 0.00 N ATOM 77 CA GLY A 7 37.663 9.988 7.029 1.00 0.00 C ATOM 78 C GLY A 7 39.050 9.694 6.470 1.00 0.00 C ATOM 79 O GLY A 7 39.190 8.942 5.505 1.00 0.00 O ATOM 0 HA2 GLY A 7 36.916 9.413 6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.423 11.041 6.884 1.00 0.00 H new ATOM 83 N VAL A 8 40.075 10.279 7.084 1.00 0.00 N ATOM 84 CA VAL A 8 41.440 10.050 6.629 1.00 0.00 C ATOM 85 C VAL A 8 41.818 8.584 6.839 1.00 0.00 C ATOM 86 O VAL A 8 42.369 7.947 5.946 1.00 0.00 O ATOM 87 CB VAL A 8 42.410 10.978 7.375 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.399 10.666 8.877 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.827 10.792 6.818 1.00 0.00 C ATOM 0 H VAL A 8 39.988 10.905 7.885 1.00 0.00 H new ATOM 0 HA VAL A 8 41.506 10.275 5.565 1.00 0.00 H new ATOM 0 HB VAL A 8 42.093 12.011 7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 8 43.091 11.332 9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.394 10.812 9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.704 9.632 9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.515 11.451 7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 8 44.138 9.756 6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.835 11.037 5.756 1.00 0.00 H new ATOM 99 N LEU A 9 41.485 8.046 8.011 1.00 0.00 N ATOM 100 CA LEU A 9 41.767 6.642 8.317 1.00 0.00 C ATOM 101 C LEU A 9 41.142 5.745 7.228 1.00 0.00 C ATOM 102 O LEU A 9 41.802 4.858 6.666 1.00 0.00 O ATOM 103 CB LEU A 9 41.163 6.309 9.704 1.00 0.00 C ATOM 104 CG LEU A 9 42.222 6.382 10.828 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.326 5.316 10.625 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.840 7.786 10.863 1.00 0.00 C ATOM 0 H LEU A 9 41.022 8.557 8.762 1.00 0.00 H new ATOM 0 HA LEU A 9 42.842 6.465 8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.353 7.004 9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.728 5.310 9.680 1.00 0.00 H new ATOM 0 HG LEU A 9 41.731 6.178 11.780 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.057 5.391 11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.878 4.322 10.633 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.822 5.483 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.586 7.835 11.656 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.314 7.999 9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.059 8.523 11.053 1.00 0.00 H new ATOM 118 N ALA A 10 39.868 5.997 6.920 1.00 0.00 N ATOM 119 CA ALA A 10 39.173 5.226 5.893 1.00 0.00 C ATOM 120 C ALA A 10 39.906 5.369 4.564 1.00 0.00 C ATOM 121 O ALA A 10 40.022 4.424 3.775 1.00 0.00 O ATOM 122 CB ALA A 10 37.737 5.732 5.745 1.00 0.00 C ATOM 0 H ALA A 10 39.303 6.722 7.363 1.00 0.00 H new ATOM 0 HA ALA A 10 39.153 4.176 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.224 5.152 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.213 5.621 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.749 6.783 5.458 1.00 0.00 H new ATOM 128 N GLY A 11 40.420 6.563 4.335 1.00 0.00 N ATOM 129 CA GLY A 11 41.156 6.835 3.113 1.00 0.00 C ATOM 130 C GLY A 11 42.389 5.949 3.040 1.00 0.00 C ATOM 131 O GLY A 11 42.785 5.492 1.964 1.00 0.00 O ATOM 0 H GLY A 11 40.343 7.355 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.518 6.657 2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.450 7.884 3.082 1.00 0.00 H new ATOM 135 N ILE A 12 42.998 5.706 4.194 1.00 0.00 N ATOM 136 CA ILE A 12 44.186 4.873 4.241 1.00 0.00 C ATOM 137 C ILE A 12 43.855 3.429 3.873 1.00 0.00 C ATOM 138 O ILE A 12 44.592 2.813 3.109 1.00 0.00 O ATOM 139 CB ILE A 12 44.837 4.929 5.630 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.336 6.359 5.935 1.00 0.00 C ATOM 141 CG2 ILE A 12 46.012 3.944 5.686 1.00 0.00 C ATOM 142 CD1 ILE A 12 46.324 6.855 4.867 1.00 0.00 C ATOM 0 H ILE A 12 42.692 6.070 5.097 1.00 0.00 H new ATOM 0 HA ILE A 12 44.894 5.262 3.509 1.00 0.00 H new ATOM 0 HB ILE A 12 44.095 4.653 6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.485 7.038 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.818 6.376 6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.474 3.984 6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.649 2.934 5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.749 4.213 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 12 46.653 7.864 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 12 47.187 6.190 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.834 6.863 3.894 1.00 0.00 H new ATOM 154 N VAL A 13 42.753 2.877 4.394 1.00 0.00 N ATOM 155 CA VAL A 13 42.425 1.493 4.033 1.00 0.00 C ATOM 156 C VAL A 13 42.319 1.397 2.514 1.00 0.00 C ATOM 157 O VAL A 13 42.830 0.460 1.899 1.00 0.00 O ATOM 158 CB VAL A 13 41.130 0.974 4.717 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.929 1.671 6.057 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.887 1.200 3.841 1.00 0.00 C ATOM 0 H VAL A 13 42.104 3.337 5.033 1.00 0.00 H new ATOM 0 HA VAL A 13 43.226 0.849 4.398 1.00 0.00 H new ATOM 0 HB VAL A 13 41.252 -0.099 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 13 40.019 1.300 6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.781 1.467 6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.843 2.746 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.004 0.823 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.767 2.266 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.008 0.672 2.895 1.00 0.00 H new ATOM 170 N VAL A 14 41.681 2.391 1.903 1.00 0.00 N ATOM 171 CA VAL A 14 41.570 2.388 0.452 1.00 0.00 C ATOM 172 C VAL A 14 42.974 2.293 -0.140 1.00 0.00 C ATOM 173 O VAL A 14 43.220 1.537 -1.085 1.00 0.00 O ATOM 174 CB VAL A 14 40.873 3.661 -0.034 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.817 3.671 -1.564 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.449 3.703 0.520 1.00 0.00 C ATOM 0 H VAL A 14 41.246 3.185 2.374 1.00 0.00 H new ATOM 0 HA VAL A 14 40.973 1.535 0.130 1.00 0.00 H new ATOM 0 HB VAL A 14 41.432 4.530 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.320 4.579 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.830 3.640 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.261 2.801 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.951 4.609 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.897 2.830 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.482 3.700 1.609 1.00 0.00 H new ATOM 186 N GLY A 15 43.898 3.051 0.447 1.00 0.00 N ATOM 187 CA GLY A 15 45.283 3.037 -0.006 1.00 0.00 C ATOM 188 C GLY A 15 45.896 1.649 0.169 1.00 0.00 C ATOM 189 O GLY A 15 46.750 1.239 -0.615 1.00 0.00 O ATOM 0 H GLY A 15 43.713 3.677 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.331 3.331 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.862 3.769 0.557 1.00 0.00 H new ATOM 193 N ASP A 16 45.455 0.926 1.198 1.00 0.00 N ATOM 194 CA ASP A 16 45.971 -0.417 1.447 1.00 0.00 C ATOM 195 C ASP A 16 45.652 -1.315 0.264 1.00 0.00 C ATOM 196 O ASP A 16 46.520 -2.029 -0.239 1.00 0.00 O ATOM 197 CB ASP A 16 45.354 -1.004 2.721 1.00 0.00 C ATOM 198 CG ASP A 16 46.052 -2.311 3.083 1.00 0.00 C ATOM 199 OD1 ASP A 16 45.749 -3.314 2.458 1.00 0.00 O ATOM 200 OD2 ASP A 16 46.876 -2.291 3.984 1.00 0.00 O ATOM 0 H ASP A 16 44.751 1.243 1.864 1.00 0.00 H new ATOM 0 HA ASP A 16 47.051 -0.356 1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.447 -0.293 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.289 -1.180 2.572 1.00 0.00 H new ATOM 205 N LEU A 17 44.403 -1.262 -0.189 1.00 0.00 N ATOM 206 CA LEU A 17 43.992 -2.066 -1.334 1.00 0.00 C ATOM 207 C LEU A 17 44.815 -1.666 -2.556 1.00 0.00 C ATOM 208 O LEU A 17 45.213 -2.512 -3.360 1.00 0.00 O ATOM 209 CB LEU A 17 42.491 -1.861 -1.614 1.00 0.00 C ATOM 210 CG LEU A 17 41.659 -2.787 -0.720 1.00 0.00 C ATOM 211 CD1 LEU A 17 41.927 -2.463 0.749 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.171 -2.582 -1.019 1.00 0.00 C ATOM 0 H LEU A 17 43.668 -0.680 0.212 1.00 0.00 H new ATOM 0 HA LEU A 17 44.163 -3.120 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.217 -0.822 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.277 -2.066 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 17 41.935 -3.822 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.334 -3.123 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.985 -2.607 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.653 -1.427 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.578 -3.240 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.900 -1.545 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 17 39.975 -2.815 -2.066 1.00 0.00 H new ATOM 224 N VAL A 18 45.068 -0.365 -2.685 1.00 0.00 N ATOM 225 CA VAL A 18 45.848 0.146 -3.808 1.00 0.00 C ATOM 226 C VAL A 18 47.272 -0.419 -3.787 1.00 0.00 C ATOM 227 O VAL A 18 47.811 -0.791 -4.825 1.00 0.00 O ATOM 228 CB VAL A 18 45.895 1.677 -3.751 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.825 2.209 -4.846 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.486 2.240 -3.966 1.00 0.00 C ATOM 0 H VAL A 18 44.747 0.349 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 18 45.367 -0.170 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 18 46.270 1.988 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.855 3.298 -4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.829 1.812 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.454 1.896 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.519 3.329 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.113 1.924 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.822 1.868 -3.185 1.00 0.00 H new ATOM 240 N LEU A 19 47.876 -0.475 -2.600 1.00 0.00 N ATOM 241 CA LEU A 19 49.239 -0.995 -2.462 1.00 0.00 C ATOM 242 C LEU A 19 49.292 -2.484 -2.808 1.00 0.00 C ATOM 243 O LEU A 19 50.190 -2.933 -3.519 1.00 0.00 O ATOM 244 CB LEU A 19 49.729 -0.795 -1.016 1.00 0.00 C ATOM 245 CG LEU A 19 50.252 0.640 -0.812 1.00 0.00 C ATOM 246 CD1 LEU A 19 50.261 0.973 0.692 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.677 0.781 -1.383 1.00 0.00 C ATOM 0 H LEU A 19 47.448 -0.170 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 19 49.883 -0.450 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 19 48.914 -0.993 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.520 -1.511 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 19 49.596 1.333 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.631 1.988 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.248 0.895 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.910 0.272 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 19 52.031 1.801 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.344 0.085 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.665 0.557 -2.450 1.00 0.00 H new ATOM 259 N THR A 20 48.340 -3.243 -2.284 1.00 0.00 N ATOM 260 CA THR A 20 48.305 -4.681 -2.525 1.00 0.00 C ATOM 261 C THR A 20 48.249 -4.990 -4.018 1.00 0.00 C ATOM 262 O THR A 20 49.037 -5.788 -4.525 1.00 0.00 O ATOM 263 CB THR A 20 47.083 -5.291 -1.836 1.00 0.00 C ATOM 264 OG1 THR A 20 46.989 -4.789 -0.511 1.00 0.00 O ATOM 265 CG2 THR A 20 47.223 -6.815 -1.796 1.00 0.00 C ATOM 0 H THR A 20 47.586 -2.892 -1.693 1.00 0.00 H new ATOM 0 HA THR A 20 49.218 -5.114 -2.117 1.00 0.00 H new ATOM 0 HB THR A 20 46.183 -5.026 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.671 -3.862 -0.534 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.351 -7.248 -1.305 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.295 -7.201 -2.813 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.122 -7.083 -1.242 1.00 0.00 H new ATOM 273 N VAL A 21 47.305 -4.368 -4.711 1.00 0.00 N ATOM 274 CA VAL A 21 47.142 -4.599 -6.143 1.00 0.00 C ATOM 275 C VAL A 21 48.280 -3.984 -6.955 1.00 0.00 C ATOM 276 O VAL A 21 48.665 -4.517 -7.995 1.00 0.00 O ATOM 277 CB VAL A 21 45.810 -4.008 -6.610 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.632 -4.253 -8.110 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.661 -4.671 -5.846 1.00 0.00 C ATOM 0 H VAL A 21 46.643 -3.703 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 21 47.158 -5.676 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 21 45.806 -2.935 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.682 -3.830 -8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.448 -3.778 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.639 -5.325 -8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.712 -4.250 -6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.669 -5.744 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.783 -4.492 -4.778 1.00 0.00 H new ATOM 289 N LEU A 22 48.791 -2.851 -6.497 1.00 0.00 N ATOM 290 CA LEU A 22 49.858 -2.165 -7.217 1.00 0.00 C ATOM 291 C LEU A 22 51.143 -2.991 -7.253 1.00 0.00 C ATOM 292 O LEU A 22 51.669 -3.281 -8.330 1.00 0.00 O ATOM 293 CB LEU A 22 50.125 -0.803 -6.560 1.00 0.00 C ATOM 294 CG LEU A 22 51.334 -0.113 -7.208 1.00 0.00 C ATOM 295 CD1 LEU A 22 51.145 -0.029 -8.727 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.461 1.302 -6.633 1.00 0.00 C ATOM 0 H LEU A 22 48.489 -2.389 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 22 49.533 -2.023 -8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.244 -0.169 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.306 -0.938 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 22 52.235 -0.689 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.009 0.462 -9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 22 51.046 -1.034 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 22 50.245 0.544 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.317 1.803 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.554 1.866 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.603 1.245 -5.554 1.00 0.00 H new ATOM 308 N ILE A 23 51.655 -3.370 -6.085 1.00 0.00 N ATOM 309 CA ILE A 23 52.877 -4.146 -6.047 1.00 0.00 C ATOM 310 C ILE A 23 52.607 -5.538 -6.612 1.00 0.00 C ATOM 311 O ILE A 23 53.414 -6.076 -7.364 1.00 0.00 O ATOM 312 CB ILE A 23 53.420 -4.270 -4.613 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.337 -2.919 -3.858 1.00 0.00 C ATOM 314 CG2 ILE A 23 54.883 -4.753 -4.672 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.494 -1.988 -4.235 1.00 0.00 C ATOM 0 H ILE A 23 51.249 -3.155 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 23 53.627 -3.633 -6.649 1.00 0.00 H new ATOM 0 HB ILE A 23 52.809 -4.990 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.389 -2.432 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.351 -3.101 -2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.277 -4.844 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 23 54.926 -5.723 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.481 -4.034 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.401 -1.051 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.441 -2.464 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.464 -1.785 -5.306 1.00 0.00 H new ATOM 327 N ALA A 24 51.462 -6.116 -6.243 1.00 0.00 N ATOM 328 CA ALA A 24 51.108 -7.447 -6.725 1.00 0.00 C ATOM 329 C ALA A 24 51.126 -7.487 -8.247 1.00 0.00 C ATOM 330 O ALA A 24 51.587 -8.459 -8.843 1.00 0.00 O ATOM 331 CB ALA A 24 49.721 -7.838 -6.219 1.00 0.00 C ATOM 0 H ALA A 24 50.775 -5.689 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 24 51.844 -8.156 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.467 -8.833 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 24 49.719 -7.841 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.986 -7.120 -6.582 1.00 0.00 H new ATOM 337 N LEU A 25 50.629 -6.429 -8.874 1.00 0.00 N ATOM 338 CA LEU A 25 50.614 -6.373 -10.326 1.00 0.00 C ATOM 339 C LEU A 25 52.042 -6.253 -10.847 1.00 0.00 C ATOM 340 O LEU A 25 52.391 -6.830 -11.876 1.00 0.00 O ATOM 341 CB LEU A 25 49.773 -5.181 -10.804 1.00 0.00 C ATOM 342 CG LEU A 25 49.824 -5.061 -12.336 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.388 -6.383 -12.992 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.882 -3.937 -12.779 1.00 0.00 C ATOM 0 H LEU A 25 50.237 -5.611 -8.407 1.00 0.00 H new ATOM 0 HA LEU A 25 50.167 -7.288 -10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.740 -5.304 -10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.144 -4.262 -10.350 1.00 0.00 H new ATOM 0 HG LEU A 25 50.845 -4.838 -12.644 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.429 -6.282 -14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 25 50.057 -7.184 -12.676 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.369 -6.621 -12.688 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.911 -3.844 -13.865 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.865 -4.168 -12.462 1.00 0.00 H new ATOM 0 HD23 LEU A 25 49.198 -2.997 -12.326 1.00 0.00 H new ATOM 356 N ALA A 26 52.861 -5.487 -10.128 1.00 0.00 N ATOM 357 CA ALA A 26 54.251 -5.284 -10.529 1.00 0.00 C ATOM 358 C ALA A 26 55.026 -6.603 -10.574 1.00 0.00 C ATOM 359 O ALA A 26 55.646 -6.921 -11.589 1.00 0.00 O ATOM 360 CB ALA A 26 54.941 -4.319 -9.562 1.00 0.00 C ATOM 0 H ALA A 26 52.589 -5.001 -9.273 1.00 0.00 H new ATOM 0 HA ALA A 26 54.244 -4.860 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.977 -4.174 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.422 -3.361 -9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.916 -4.734 -8.554 1.00 0.00 H new ATOM 366 N VAL A 27 55.012 -7.365 -9.476 1.00 0.00 N ATOM 367 CA VAL A 27 55.747 -8.629 -9.444 1.00 0.00 C ATOM 368 C VAL A 27 55.149 -9.653 -10.409 1.00 0.00 C ATOM 369 O VAL A 27 55.876 -10.360 -11.108 1.00 0.00 O ATOM 370 CB VAL A 27 55.767 -9.202 -8.016 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.032 -8.075 -7.014 1.00 0.00 C ATOM 372 CG2 VAL A 27 54.422 -9.866 -7.686 1.00 0.00 C ATOM 0 H VAL A 27 54.512 -7.135 -8.617 1.00 0.00 H new ATOM 0 HA VAL A 27 56.769 -8.423 -9.763 1.00 0.00 H new ATOM 0 HB VAL A 27 56.558 -9.949 -7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.046 -8.483 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 27 56.995 -7.613 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.244 -7.326 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.453 -10.266 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 27 53.624 -9.128 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.234 -10.676 -8.390 1.00 0.00 H new ATOM 382 N TYR A 28 53.826 -9.739 -10.429 1.00 0.00 N ATOM 383 CA TYR A 28 53.145 -10.695 -11.294 1.00 0.00 C ATOM 384 C TYR A 28 53.489 -10.461 -12.762 1.00 0.00 C ATOM 385 O TYR A 28 53.820 -11.401 -13.486 1.00 0.00 O ATOM 386 CB TYR A 28 51.632 -10.583 -11.104 1.00 0.00 C ATOM 387 CG TYR A 28 50.941 -11.558 -12.025 1.00 0.00 C ATOM 388 CD1 TYR A 28 50.765 -12.889 -11.630 1.00 0.00 C ATOM 389 CD2 TYR A 28 50.479 -11.131 -13.275 1.00 0.00 C ATOM 390 CE1 TYR A 28 50.128 -13.795 -12.487 1.00 0.00 C ATOM 391 CE2 TYR A 28 49.843 -12.036 -14.132 1.00 0.00 C ATOM 392 CZ TYR A 28 49.667 -13.367 -13.739 1.00 0.00 C ATOM 393 OH TYR A 28 49.040 -14.261 -14.584 1.00 0.00 O ATOM 0 H TYR A 28 53.205 -9.163 -9.860 1.00 0.00 H new ATOM 0 HA TYR A 28 53.481 -11.694 -11.017 1.00 0.00 H new ATOM 0 HB2 TYR A 28 51.367 -10.794 -10.068 1.00 0.00 H new ATOM 0 HB3 TYR A 28 51.301 -9.567 -11.317 1.00 0.00 H new ATOM 0 HD1 TYR A 28 51.120 -13.217 -10.664 1.00 0.00 H new ATOM 0 HD2 TYR A 28 50.613 -10.103 -13.578 1.00 0.00 H new ATOM 0 HE1 TYR A 28 49.992 -14.822 -12.183 1.00 0.00 H new ATOM 0 HE2 TYR A 28 49.488 -11.707 -15.097 1.00 0.00 H new ATOM 0 HH TYR A 28 48.781 -13.803 -15.411 1.00 0.00 H new ATOM 403 N PHE A 29 53.395 -9.211 -13.205 1.00 0.00 N ATOM 404 CA PHE A 29 53.686 -8.885 -14.598 1.00 0.00 C ATOM 405 C PHE A 29 55.169 -9.071 -14.908 1.00 0.00 C ATOM 406 O PHE A 29 55.530 -9.823 -15.813 1.00 0.00 O ATOM 407 CB PHE A 29 53.279 -7.440 -14.887 1.00 0.00 C ATOM 408 CG PHE A 29 53.542 -7.124 -16.342 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.723 -7.675 -17.334 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.604 -6.283 -16.699 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.963 -7.386 -18.682 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.845 -5.994 -18.047 1.00 0.00 C ATOM 413 CZ PHE A 29 54.024 -6.546 -19.039 1.00 0.00 C ATOM 0 H PHE A 29 53.123 -8.415 -12.628 1.00 0.00 H new ATOM 0 HA PHE A 29 53.115 -9.563 -15.233 1.00 0.00 H new ATOM 0 HB2 PHE A 29 52.223 -7.295 -14.657 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.840 -6.758 -14.248 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.905 -8.324 -17.059 1.00 0.00 H new ATOM 0 HD2 PHE A 29 55.237 -5.858 -15.934 1.00 0.00 H new ATOM 0 HE1 PHE A 29 52.330 -7.811 -19.447 1.00 0.00 H new ATOM 0 HE2 PHE A 29 55.664 -5.346 -18.322 1.00 0.00 H new ATOM 0 HZ PHE A 29 54.210 -6.323 -20.079 1.00 0.00 H new ATOM 567 N GLY B 7 40.635 1.416 16.809 1.00 0.00 N ATOM 568 CA GLY B 7 41.775 0.519 16.925 1.00 0.00 C ATOM 569 C GLY B 7 41.945 -0.270 15.639 1.00 0.00 C ATOM 570 O GLY B 7 43.064 -0.529 15.196 1.00 0.00 O ATOM 0 HA2 GLY B 7 42.679 1.091 17.133 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.629 -0.162 17.763 1.00 0.00 H new ATOM 574 N VAL B 8 40.820 -0.633 15.036 1.00 0.00 N ATOM 575 CA VAL B 8 40.847 -1.377 13.790 1.00 0.00 C ATOM 576 C VAL B 8 41.378 -0.495 12.653 1.00 0.00 C ATOM 577 O VAL B 8 42.168 -0.956 11.826 1.00 0.00 O ATOM 578 CB VAL B 8 39.446 -1.912 13.458 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.418 -0.783 13.550 1.00 0.00 C ATOM 580 CG2 VAL B 8 39.439 -2.491 12.039 1.00 0.00 C ATOM 0 H VAL B 8 39.886 -0.425 15.389 1.00 0.00 H new ATOM 0 HA VAL B 8 41.519 -2.227 13.904 1.00 0.00 H new ATOM 0 HB VAL B 8 39.187 -2.692 14.173 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.428 -1.172 13.313 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.415 -0.375 14.561 1.00 0.00 H new ATOM 0 HG13 VAL B 8 38.678 0.004 12.842 1.00 0.00 H new ATOM 0 HG21 VAL B 8 38.444 -2.870 11.806 1.00 0.00 H new ATOM 0 HG22 VAL B 8 39.707 -1.711 11.326 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.162 -3.305 11.974 1.00 0.00 H new ATOM 590 N LEU B 9 40.967 0.779 12.613 1.00 0.00 N ATOM 591 CA LEU B 9 41.457 1.667 11.553 1.00 0.00 C ATOM 592 C LEU B 9 42.961 1.915 11.730 1.00 0.00 C ATOM 593 O LEU B 9 43.741 1.768 10.783 1.00 0.00 O ATOM 594 CB LEU B 9 40.672 3.005 11.558 1.00 0.00 C ATOM 595 CG LEU B 9 39.564 3.030 10.474 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.176 2.875 9.061 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.539 1.914 10.732 1.00 0.00 C ATOM 0 H LEU B 9 40.320 1.206 13.276 1.00 0.00 H new ATOM 0 HA LEU B 9 41.296 1.186 10.588 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.223 3.159 12.539 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.363 3.832 11.390 1.00 0.00 H new ATOM 0 HG LEU B 9 39.057 3.993 10.527 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.381 2.895 8.316 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.870 3.694 8.873 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.709 1.926 8.997 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.767 1.944 9.963 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.040 0.946 10.706 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.082 2.059 11.711 1.00 0.00 H new ATOM 609 N ALA B 10 43.368 2.271 12.945 1.00 0.00 N ATOM 610 CA ALA B 10 44.782 2.511 13.214 1.00 0.00 C ATOM 611 C ALA B 10 45.574 1.236 12.933 1.00 0.00 C ATOM 612 O ALA B 10 46.752 1.269 12.560 1.00 0.00 O ATOM 613 CB ALA B 10 44.975 2.936 14.672 1.00 0.00 C ATOM 0 H ALA B 10 42.751 2.398 13.747 1.00 0.00 H new ATOM 0 HA ALA B 10 45.141 3.311 12.567 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.034 3.113 14.862 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.415 3.851 14.861 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.614 2.147 15.332 1.00 0.00 H new ATOM 619 N GLY B 11 44.908 0.107 13.104 1.00 0.00 N ATOM 620 CA GLY B 11 45.540 -1.179 12.853 1.00 0.00 C ATOM 621 C GLY B 11 45.767 -1.365 11.359 1.00 0.00 C ATOM 622 O GLY B 11 46.746 -1.982 10.934 1.00 0.00 O ATOM 0 H GLY B 11 43.937 0.053 13.413 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.491 -1.236 13.383 1.00 0.00 H new ATOM 0 HA3 GLY B 11 44.912 -1.983 13.237 1.00 0.00 H new ATOM 626 N ILE B 12 44.847 -0.832 10.563 1.00 0.00 N ATOM 627 CA ILE B 12 44.958 -0.949 9.120 1.00 0.00 C ATOM 628 C ILE B 12 46.076 -0.060 8.564 1.00 0.00 C ATOM 629 O ILE B 12 46.759 -0.464 7.630 1.00 0.00 O ATOM 630 CB ILE B 12 43.618 -0.623 8.449 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.627 -1.756 8.744 1.00 0.00 C ATOM 632 CG2 ILE B 12 43.809 -0.502 6.931 1.00 0.00 C ATOM 633 CD1 ILE B 12 41.209 -1.308 8.385 1.00 0.00 C ATOM 0 H ILE B 12 44.027 -0.321 10.890 1.00 0.00 H new ATOM 0 HA ILE B 12 45.219 -1.982 8.891 1.00 0.00 H new ATOM 0 HB ILE B 12 43.237 0.321 8.838 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.894 -2.644 8.171 1.00 0.00 H new ATOM 0 HG13 ILE B 12 42.676 -2.030 9.798 1.00 0.00 H new ATOM 0 HG21 ILE B 12 42.853 -0.270 6.461 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.521 0.295 6.716 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.189 -1.444 6.536 1.00 0.00 H new ATOM 0 HD11 ILE B 12 40.508 -2.116 8.596 1.00 0.00 H new ATOM 0 HD12 ILE B 12 40.943 -0.433 8.977 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.164 -1.056 7.325 1.00 0.00 H new ATOM 645 N VAL B 13 46.270 1.145 9.112 1.00 0.00 N ATOM 646 CA VAL B 13 47.336 2.006 8.585 1.00 0.00 C ATOM 647 C VAL B 13 48.707 1.437 8.926 1.00 0.00 C ATOM 648 O VAL B 13 49.587 1.394 8.065 1.00 0.00 O ATOM 649 CB VAL B 13 47.219 3.462 9.071 1.00 0.00 C ATOM 650 CG1 VAL B 13 45.758 3.934 8.972 1.00 0.00 C ATOM 651 CG2 VAL B 13 47.711 3.595 10.515 1.00 0.00 C ATOM 0 H VAL B 13 45.731 1.534 9.885 1.00 0.00 H new ATOM 0 HA VAL B 13 47.218 2.023 7.502 1.00 0.00 H new ATOM 0 HB VAL B 13 47.844 4.087 8.434 1.00 0.00 H new ATOM 0 HG11 VAL B 13 45.685 4.965 9.318 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.426 3.874 7.936 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.127 3.297 9.592 1.00 0.00 H new ATOM 0 HG21 VAL B 13 47.619 4.632 10.837 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.110 2.959 11.164 1.00 0.00 H new ATOM 0 HG23 VAL B 13 48.755 3.289 10.573 1.00 0.00 H new ATOM 661 N VAL B 14 48.900 0.978 10.162 1.00 0.00 N ATOM 662 CA VAL B 14 50.197 0.404 10.508 1.00 0.00 C ATOM 663 C VAL B 14 50.456 -0.816 9.624 1.00 0.00 C ATOM 664 O VAL B 14 51.560 -1.006 9.100 1.00 0.00 O ATOM 665 CB VAL B 14 50.247 0.015 11.986 1.00 0.00 C ATOM 666 CG1 VAL B 14 49.083 -0.914 12.309 1.00 0.00 C ATOM 667 CG2 VAL B 14 51.568 -0.700 12.284 1.00 0.00 C ATOM 0 H VAL B 14 48.208 0.990 10.911 1.00 0.00 H new ATOM 0 HA VAL B 14 50.973 1.150 10.337 1.00 0.00 H new ATOM 0 HB VAL B 14 50.175 0.914 12.598 1.00 0.00 H new ATOM 0 HG11 VAL B 14 49.120 -1.191 13.363 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.142 -0.405 12.100 1.00 0.00 H new ATOM 0 HG13 VAL B 14 49.153 -1.812 11.696 1.00 0.00 H new ATOM 0 HG21 VAL B 14 51.602 -0.977 13.338 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.642 -1.598 11.670 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.401 -0.035 12.056 1.00 0.00 H new ATOM 677 N GLY B 15 49.418 -1.629 9.439 1.00 0.00 N ATOM 678 CA GLY B 15 49.532 -2.814 8.597 1.00 0.00 C ATOM 679 C GLY B 15 49.760 -2.418 7.142 1.00 0.00 C ATOM 680 O GLY B 15 50.370 -3.158 6.374 1.00 0.00 O ATOM 0 H GLY B 15 48.498 -1.490 9.857 1.00 0.00 H new ATOM 0 HA2 GLY B 15 50.357 -3.435 8.944 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.625 -3.414 8.679 1.00 0.00 H new ATOM 684 N ASP B 16 49.266 -1.241 6.771 1.00 0.00 N ATOM 685 CA ASP B 16 49.423 -0.749 5.409 1.00 0.00 C ATOM 686 C ASP B 16 50.893 -0.496 5.124 1.00 0.00 C ATOM 687 O ASP B 16 51.428 -0.919 4.097 1.00 0.00 O ATOM 688 CB ASP B 16 48.632 0.547 5.225 1.00 0.00 C ATOM 689 CG ASP B 16 48.560 0.903 3.746 1.00 0.00 C ATOM 690 OD1 ASP B 16 48.902 0.056 2.940 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.165 2.017 3.442 1.00 0.00 O ATOM 0 H ASP B 16 48.756 -0.613 7.392 1.00 0.00 H new ATOM 0 HA ASP B 16 49.043 -1.498 4.714 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.627 0.431 5.630 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.107 1.356 5.780 1.00 0.00 H new ATOM 696 N LEU B 17 51.547 0.177 6.060 1.00 0.00 N ATOM 697 CA LEU B 17 52.964 0.463 5.929 1.00 0.00 C ATOM 698 C LEU B 17 53.722 -0.851 5.817 1.00 0.00 C ATOM 699 O LEU B 17 54.648 -0.989 5.014 1.00 0.00 O ATOM 700 CB LEU B 17 53.442 1.243 7.159 1.00 0.00 C ATOM 701 CG LEU B 17 52.917 2.707 7.100 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.496 3.177 8.503 1.00 0.00 C ATOM 703 CD2 LEU B 17 54.016 3.637 6.563 1.00 0.00 C ATOM 0 H LEU B 17 51.119 0.533 6.915 1.00 0.00 H new ATOM 0 HA LEU B 17 53.145 1.064 5.038 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.087 0.757 8.068 1.00 0.00 H new ATOM 0 HB3 LEU B 17 54.531 1.240 7.201 1.00 0.00 H new ATOM 0 HG LEU B 17 52.054 2.740 6.435 1.00 0.00 H new ATOM 0 HD11 LEU B 17 52.131 4.202 8.449 1.00 0.00 H new ATOM 0 HD12 LEU B 17 51.705 2.529 8.882 1.00 0.00 H new ATOM 0 HD13 LEU B 17 53.354 3.133 9.174 1.00 0.00 H new ATOM 0 HD21 LEU B 17 53.641 4.660 6.525 1.00 0.00 H new ATOM 0 HD22 LEU B 17 54.884 3.593 7.221 1.00 0.00 H new ATOM 0 HD23 LEU B 17 54.305 3.319 5.561 1.00 0.00 H new ATOM 715 N VAL B 18 53.302 -1.822 6.622 1.00 0.00 N ATOM 716 CA VAL B 18 53.925 -3.139 6.612 1.00 0.00 C ATOM 717 C VAL B 18 53.641 -3.861 5.294 1.00 0.00 C ATOM 718 O VAL B 18 54.388 -4.752 4.894 1.00 0.00 O ATOM 719 CB VAL B 18 53.391 -3.972 7.780 1.00 0.00 C ATOM 720 CG1 VAL B 18 53.972 -5.385 7.713 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.798 -3.316 9.103 1.00 0.00 C ATOM 0 H VAL B 18 52.535 -1.721 7.287 1.00 0.00 H new ATOM 0 HA VAL B 18 55.003 -3.013 6.715 1.00 0.00 H new ATOM 0 HB VAL B 18 52.304 -4.025 7.718 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.590 -5.975 8.546 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.682 -5.854 6.773 1.00 0.00 H new ATOM 0 HG13 VAL B 18 55.059 -5.335 7.773 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.418 -3.909 9.935 1.00 0.00 H new ATOM 0 HG22 VAL B 18 54.885 -3.262 9.163 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.381 -2.310 9.154 1.00 0.00 H new ATOM 731 N LEU B 19 52.551 -3.480 4.631 1.00 0.00 N ATOM 732 CA LEU B 19 52.174 -4.102 3.365 1.00 0.00 C ATOM 733 C LEU B 19 53.141 -3.674 2.261 1.00 0.00 C ATOM 734 O LEU B 19 53.729 -4.513 1.571 1.00 0.00 O ATOM 735 CB LEU B 19 50.732 -3.685 3.014 1.00 0.00 C ATOM 736 CG LEU B 19 50.047 -4.747 2.139 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.556 -4.421 2.013 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.679 -4.758 0.745 1.00 0.00 C ATOM 0 H LEU B 19 51.916 -2.747 4.948 1.00 0.00 H new ATOM 0 HA LEU B 19 52.224 -5.187 3.457 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.159 -3.539 3.930 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.744 -2.730 2.490 1.00 0.00 H new ATOM 0 HG LEU B 19 50.173 -5.726 2.602 1.00 0.00 H new ATOM 0 HD11 LEU B 19 48.070 -5.174 1.393 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.100 -4.417 3.003 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.436 -3.440 1.554 1.00 0.00 H new ATOM 0 HD21 LEU B 19 50.189 -5.513 0.129 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.558 -3.778 0.283 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.741 -4.991 0.829 1.00 0.00 H new ATOM 750 N THR B 20 53.310 -2.366 2.111 1.00 0.00 N ATOM 751 CA THR B 20 54.210 -1.832 1.095 1.00 0.00 C ATOM 752 C THR B 20 55.630 -2.332 1.320 1.00 0.00 C ATOM 753 O THR B 20 56.306 -2.759 0.384 1.00 0.00 O ATOM 754 CB THR B 20 54.212 -0.301 1.145 1.00 0.00 C ATOM 755 OG1 THR B 20 52.876 0.177 1.120 1.00 0.00 O ATOM 756 CG2 THR B 20 54.981 0.254 -0.057 1.00 0.00 C ATOM 0 H THR B 20 52.839 -1.659 2.676 1.00 0.00 H new ATOM 0 HA THR B 20 53.858 -2.171 0.121 1.00 0.00 H new ATOM 0 HB THR B 20 54.697 0.029 2.064 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.647 0.555 1.995 1.00 0.00 H new ATOM 0 HG21 THR B 20 54.980 1.343 -0.018 1.00 0.00 H new ATOM 0 HG22 THR B 20 56.008 -0.109 -0.031 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.503 -0.076 -0.979 1.00 0.00 H new ATOM 764 N VAL B 21 56.081 -2.257 2.564 1.00 0.00 N ATOM 765 CA VAL B 21 57.431 -2.685 2.904 1.00 0.00 C ATOM 766 C VAL B 21 57.612 -4.188 2.714 1.00 0.00 C ATOM 767 O VAL B 21 58.631 -4.626 2.202 1.00 0.00 O ATOM 768 CB VAL B 21 57.742 -2.313 4.356 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.131 -2.832 4.736 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.707 -0.792 4.513 1.00 0.00 C ATOM 0 H VAL B 21 55.536 -1.906 3.351 1.00 0.00 H new ATOM 0 HA VAL B 21 58.120 -2.174 2.231 1.00 0.00 H new ATOM 0 HB VAL B 21 56.996 -2.764 5.010 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.349 -2.565 5.770 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.156 -3.916 4.628 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.878 -2.385 4.081 1.00 0.00 H new ATOM 0 HG21 VAL B 21 57.928 -0.528 5.547 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.451 -0.341 3.856 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.717 -0.422 4.248 1.00 0.00 H new ATOM 780 N LEU B 22 56.634 -4.971 3.156 1.00 0.00 N ATOM 781 CA LEU B 22 56.726 -6.427 3.054 1.00 0.00 C ATOM 782 C LEU B 22 56.901 -6.894 1.608 1.00 0.00 C ATOM 783 O LEU B 22 57.855 -7.611 1.293 1.00 0.00 O ATOM 784 CB LEU B 22 55.462 -7.062 3.659 1.00 0.00 C ATOM 785 CG LEU B 22 55.443 -8.580 3.416 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.752 -9.209 3.911 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.264 -9.193 4.179 1.00 0.00 C ATOM 0 H LEU B 22 55.775 -4.628 3.585 1.00 0.00 H new ATOM 0 HA LEU B 22 57.609 -6.745 3.607 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.425 -6.860 4.730 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.575 -6.608 3.218 1.00 0.00 H new ATOM 0 HG LEU B 22 55.338 -8.773 2.348 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.729 -10.284 3.734 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.593 -8.771 3.373 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.866 -9.019 4.978 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.243 -10.270 4.012 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.377 -8.993 5.245 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.332 -8.753 3.824 1.00 0.00 H new ATOM 799 N ILE B 23 55.982 -6.507 0.729 1.00 0.00 N ATOM 800 CA ILE B 23 56.074 -6.929 -0.662 1.00 0.00 C ATOM 801 C ILE B 23 57.315 -6.317 -1.312 1.00 0.00 C ATOM 802 O ILE B 23 58.043 -6.996 -2.042 1.00 0.00 O ATOM 803 CB ILE B 23 54.796 -6.548 -1.415 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.588 -7.044 -0.609 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.786 -7.230 -2.789 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.288 -6.655 -1.317 1.00 0.00 C ATOM 0 H ILE B 23 55.181 -5.914 0.949 1.00 0.00 H new ATOM 0 HA ILE B 23 56.173 -8.014 -0.706 1.00 0.00 H new ATOM 0 HB ILE B 23 54.753 -5.467 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.638 -8.127 -0.493 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.608 -6.615 0.393 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.876 -6.958 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.654 -6.906 -3.362 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.821 -8.312 -2.659 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.437 -7.012 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.235 -5.570 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.265 -7.106 -2.309 1.00 0.00 H new ATOM 818 N ALA B 24 57.575 -5.042 -1.018 1.00 0.00 N ATOM 819 CA ALA B 24 58.755 -4.380 -1.558 1.00 0.00 C ATOM 820 C ALA B 24 60.006 -5.175 -1.175 1.00 0.00 C ATOM 821 O ALA B 24 60.988 -5.233 -1.923 1.00 0.00 O ATOM 822 CB ALA B 24 58.860 -2.958 -1.000 1.00 0.00 C ATOM 0 H ALA B 24 56.992 -4.458 -0.418 1.00 0.00 H new ATOM 0 HA ALA B 24 58.672 -4.330 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.745 -2.471 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.972 -2.391 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.938 -2.998 0.086 1.00 0.00 H new ATOM 828 N LEU B 25 59.955 -5.794 0.001 1.00 0.00 N ATOM 829 CA LEU B 25 61.074 -6.593 0.481 1.00 0.00 C ATOM 830 C LEU B 25 61.199 -7.849 -0.374 1.00 0.00 C ATOM 831 O LEU B 25 62.297 -8.258 -0.738 1.00 0.00 O ATOM 832 CB LEU B 25 60.855 -6.979 1.961 1.00 0.00 C ATOM 833 CG LEU B 25 62.197 -7.126 2.708 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.139 -8.053 1.930 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.861 -5.746 2.903 1.00 0.00 C ATOM 0 H LEU B 25 59.156 -5.757 0.634 1.00 0.00 H new ATOM 0 HA LEU B 25 61.992 -6.011 0.406 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.245 -6.219 2.451 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.301 -7.916 2.016 1.00 0.00 H new ATOM 0 HG LEU B 25 61.999 -7.562 3.687 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.082 -8.148 2.468 1.00 0.00 H new ATOM 0 HD12 LEU B 25 62.679 -9.036 1.827 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.326 -7.635 0.941 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.806 -5.869 3.432 1.00 0.00 H new ATOM 0 HD22 LEU B 25 63.046 -5.290 1.930 1.00 0.00 H new ATOM 0 HD23 LEU B 25 62.201 -5.103 3.485 1.00 0.00 H new ATOM 847 N ALA B 26 60.055 -8.458 -0.680 1.00 0.00 N ATOM 848 CA ALA B 26 60.044 -9.672 -1.487 1.00 0.00 C ATOM 849 C ALA B 26 60.772 -9.450 -2.809 1.00 0.00 C ATOM 850 O ALA B 26 61.689 -10.200 -3.152 1.00 0.00 O ATOM 851 CB ALA B 26 58.602 -10.103 -1.762 1.00 0.00 C ATOM 0 H ALA B 26 59.134 -8.134 -0.384 1.00 0.00 H new ATOM 0 HA ALA B 26 60.559 -10.456 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.602 -11.011 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA B 26 58.093 -10.295 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA B 26 58.082 -9.310 -2.299 1.00 0.00 H new ATOM 857 N VAL B 27 60.371 -8.419 -3.553 1.00 0.00 N ATOM 858 CA VAL B 27 61.020 -8.140 -4.832 1.00 0.00 C ATOM 859 C VAL B 27 62.511 -7.892 -4.631 1.00 0.00 C ATOM 860 O VAL B 27 63.338 -8.387 -5.397 1.00 0.00 O ATOM 861 CB VAL B 27 60.387 -6.923 -5.514 1.00 0.00 C ATOM 862 CG1 VAL B 27 58.984 -7.281 -5.998 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.291 -5.769 -4.522 1.00 0.00 C ATOM 0 H VAL B 27 59.619 -7.778 -3.300 1.00 0.00 H new ATOM 0 HA VAL B 27 60.883 -9.012 -5.472 1.00 0.00 H new ATOM 0 HB VAL B 27 61.006 -6.627 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.534 -6.415 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.044 -8.105 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.371 -7.580 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.840 -4.905 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.675 -6.068 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.289 -5.507 -4.171 1.00 0.00 H new ATOM 873 N TYR B 28 62.854 -7.123 -3.601 1.00 0.00 N ATOM 874 CA TYR B 28 64.256 -6.826 -3.326 1.00 0.00 C ATOM 875 C TYR B 28 65.046 -8.116 -3.115 1.00 0.00 C ATOM 876 O TYR B 28 66.179 -8.248 -3.582 1.00 0.00 O ATOM 877 CB TYR B 28 64.370 -5.944 -2.083 1.00 0.00 C ATOM 878 CG TYR B 28 65.825 -5.653 -1.804 1.00 0.00 C ATOM 879 CD1 TYR B 28 66.462 -4.586 -2.451 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.537 -6.450 -0.900 1.00 0.00 C ATOM 881 CE1 TYR B 28 67.812 -4.317 -2.193 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.887 -6.181 -0.642 1.00 0.00 C ATOM 883 CZ TYR B 28 68.524 -5.115 -1.289 1.00 0.00 C ATOM 884 OH TYR B 28 69.853 -4.849 -1.035 1.00 0.00 O ATOM 0 H TYR B 28 62.191 -6.700 -2.952 1.00 0.00 H new ATOM 0 HA TYR B 28 64.671 -6.296 -4.184 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.824 -5.013 -2.234 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.917 -6.444 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR B 28 65.912 -3.971 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR B 28 66.045 -7.272 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR B 28 68.304 -3.494 -2.691 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.437 -6.796 0.056 1.00 0.00 H new ATOM 0 HH TYR B 28 70.197 -5.495 -0.384 1.00 0.00 H new ATOM 894 N PHE B 29 64.443 -9.062 -2.403 1.00 0.00 N ATOM 895 CA PHE B 29 65.091 -10.339 -2.124 1.00 0.00 C ATOM 896 C PHE B 29 65.386 -11.097 -3.415 1.00 0.00 C ATOM 897 O PHE B 29 66.475 -11.643 -3.588 1.00 0.00 O ATOM 898 CB PHE B 29 64.196 -11.192 -1.226 1.00 0.00 C ATOM 899 CG PHE B 29 64.948 -12.430 -0.797 1.00 0.00 C ATOM 900 CD1 PHE B 29 64.907 -13.585 -1.587 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.686 -12.422 0.392 1.00 0.00 C ATOM 902 CE1 PHE B 29 65.604 -14.731 -1.188 1.00 0.00 C ATOM 903 CE2 PHE B 29 66.384 -13.568 0.791 1.00 0.00 C ATOM 904 CZ PHE B 29 66.343 -14.723 0.001 1.00 0.00 C ATOM 0 H PHE B 29 63.507 -8.969 -2.009 1.00 0.00 H new ATOM 0 HA PHE B 29 66.034 -10.136 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE B 29 63.888 -10.619 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.288 -11.472 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE B 29 64.337 -13.592 -2.505 1.00 0.00 H new ATOM 0 HD2 PHE B 29 65.717 -11.531 1.002 1.00 0.00 H new ATOM 0 HE1 PHE B 29 65.572 -15.622 -1.798 1.00 0.00 H new ATOM 0 HE2 PHE B 29 66.954 -13.561 1.708 1.00 0.00 H new ATOM 0 HZ PHE B 29 66.881 -15.607 0.309 1.00 0.00 H new