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 180:sc= -0.745 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 170:sc= -1.8 USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLY A 7 37.244 9.097 8.562 1.00 0.00 N ATOM 77 CA GLY A 7 37.202 9.536 7.173 1.00 0.00 C ATOM 78 C GLY A 7 38.556 9.337 6.501 1.00 0.00 C ATOM 79 O GLY A 7 38.682 8.554 5.559 1.00 0.00 O ATOM 0 HA2 GLY A 7 36.437 8.977 6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.920 10.588 7.128 1.00 0.00 H new ATOM 83 N VAL A 8 39.572 10.035 6.998 1.00 0.00 N ATOM 84 CA VAL A 8 40.909 9.898 6.433 1.00 0.00 C ATOM 85 C VAL A 8 41.409 8.470 6.649 1.00 0.00 C ATOM 86 O VAL A 8 41.944 7.844 5.735 1.00 0.00 O ATOM 87 CB VAL A 8 41.864 10.918 7.069 1.00 0.00 C ATOM 88 CG1 VAL A 8 41.913 10.725 8.592 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.266 10.738 6.477 1.00 0.00 C ATOM 0 H VAL A 8 39.498 10.690 7.777 1.00 0.00 H new ATOM 0 HA VAL A 8 40.872 10.098 5.362 1.00 0.00 H new ATOM 0 HB VAL A 8 41.504 11.925 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 8 42.594 11.455 9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 8 40.915 10.864 9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.264 9.719 8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 8 43.946 11.461 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 8 43.621 9.728 6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.229 10.896 5.399 1.00 0.00 H new ATOM 99 N LEU A 9 41.192 7.950 7.856 1.00 0.00 N ATOM 100 CA LEU A 9 41.589 6.584 8.184 1.00 0.00 C ATOM 101 C LEU A 9 40.982 5.609 7.160 1.00 0.00 C ATOM 102 O LEU A 9 41.677 4.752 6.599 1.00 0.00 O ATOM 103 CB LEU A 9 41.077 6.247 9.605 1.00 0.00 C ATOM 104 CG LEU A 9 42.180 6.431 10.671 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.358 5.449 10.439 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.682 7.882 10.641 1.00 0.00 C ATOM 0 H LEU A 9 40.744 8.454 8.621 1.00 0.00 H new ATOM 0 HA LEU A 9 42.675 6.492 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.228 6.886 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.718 5.218 9.627 1.00 0.00 H new ATOM 0 HG LEU A 9 41.755 6.211 11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.117 5.604 11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.993 4.423 10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.793 5.629 9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.460 8.013 11.393 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.088 8.106 9.655 1.00 0.00 H new ATOM 0 HD23 LEU A 9 41.854 8.558 10.854 1.00 0.00 H new ATOM 118 N ALA A 10 39.681 5.753 6.910 1.00 0.00 N ATOM 119 CA ALA A 10 39.008 4.889 5.948 1.00 0.00 C ATOM 120 C ALA A 10 39.710 4.994 4.601 1.00 0.00 C ATOM 121 O ALA A 10 39.898 4.006 3.884 1.00 0.00 O ATOM 122 CB ALA A 10 37.544 5.309 5.798 1.00 0.00 C ATOM 0 H ALA A 10 39.082 6.449 7.354 1.00 0.00 H new ATOM 0 HA ALA A 10 39.045 3.859 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.051 4.657 5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.042 5.229 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.495 6.340 5.448 1.00 0.00 H new ATOM 128 N GLY A 11 40.113 6.206 4.272 1.00 0.00 N ATOM 129 CA GLY A 11 40.809 6.443 3.019 1.00 0.00 C ATOM 130 C GLY A 11 42.105 5.645 2.982 1.00 0.00 C ATOM 131 O GLY A 11 42.525 5.161 1.926 1.00 0.00 O ATOM 0 H GLY A 11 39.973 7.036 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.173 6.158 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.024 7.506 2.909 1.00 0.00 H new ATOM 135 N ILE A 12 42.742 5.508 4.142 1.00 0.00 N ATOM 136 CA ILE A 12 43.991 4.769 4.213 1.00 0.00 C ATOM 137 C ILE A 12 43.770 3.287 3.914 1.00 0.00 C ATOM 138 O ILE A 12 44.546 2.699 3.165 1.00 0.00 O ATOM 139 CB ILE A 12 44.656 4.931 5.587 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.004 6.413 5.854 1.00 0.00 C ATOM 141 CG2 ILE A 12 45.934 4.085 5.636 1.00 0.00 C ATOM 142 CD1 ILE A 12 45.877 6.997 4.732 1.00 0.00 C ATOM 0 H ILE A 12 42.418 5.893 5.029 1.00 0.00 H new ATOM 0 HA ILE A 12 44.656 5.183 3.455 1.00 0.00 H new ATOM 0 HB ILE A 12 43.960 4.595 6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.086 6.994 5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.528 6.499 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.408 4.198 6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.683 3.037 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.621 4.418 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 12 46.103 8.040 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 12 46.806 6.432 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.342 6.934 3.784 1.00 0.00 H new ATOM 154 N VAL A 13 42.726 2.667 4.478 1.00 0.00 N ATOM 155 CA VAL A 13 42.513 1.244 4.185 1.00 0.00 C ATOM 156 C VAL A 13 42.327 1.067 2.684 1.00 0.00 C ATOM 157 O VAL A 13 42.882 0.141 2.082 1.00 0.00 O ATOM 158 CB VAL A 13 41.330 0.636 4.980 1.00 0.00 C ATOM 159 CG1 VAL A 13 41.220 1.316 6.348 1.00 0.00 C ATOM 160 CG2 VAL A 13 40.002 0.786 4.219 1.00 0.00 C ATOM 0 H VAL A 13 42.048 3.099 5.107 1.00 0.00 H new ATOM 0 HA VAL A 13 43.396 0.695 4.511 1.00 0.00 H new ATOM 0 HB VAL A 13 41.526 -0.428 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 13 40.387 0.885 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 13 42.144 1.164 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 13 41.051 2.384 6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.195 0.349 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.797 1.843 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.072 0.273 3.260 1.00 0.00 H new ATOM 170 N VAL A 14 41.584 1.978 2.062 1.00 0.00 N ATOM 171 CA VAL A 14 41.406 1.897 0.621 1.00 0.00 C ATOM 172 C VAL A 14 42.791 1.855 -0.018 1.00 0.00 C ATOM 173 O VAL A 14 43.055 1.071 -0.933 1.00 0.00 O ATOM 174 CB VAL A 14 40.622 3.106 0.109 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.585 3.085 -1.421 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.194 3.048 0.656 1.00 0.00 C ATOM 0 H VAL A 14 41.110 2.757 2.518 1.00 0.00 H new ATOM 0 HA VAL A 14 40.840 1.002 0.362 1.00 0.00 H new ATOM 0 HB VAL A 14 41.106 4.023 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.026 3.948 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.602 3.123 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.100 2.170 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.630 3.908 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.712 2.130 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.221 3.064 1.746 1.00 0.00 H new ATOM 186 N GLY A 15 43.682 2.691 0.511 1.00 0.00 N ATOM 187 CA GLY A 15 45.054 2.740 0.027 1.00 0.00 C ATOM 188 C GLY A 15 45.757 1.401 0.255 1.00 0.00 C ATOM 189 O GLY A 15 46.603 0.995 -0.539 1.00 0.00 O ATOM 0 H GLY A 15 43.477 3.340 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.061 2.984 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.597 3.533 0.540 1.00 0.00 H new ATOM 193 N ASP A 16 45.403 0.716 1.344 1.00 0.00 N ATOM 194 CA ASP A 16 46.014 -0.576 1.647 1.00 0.00 C ATOM 195 C ASP A 16 45.766 -1.545 0.503 1.00 0.00 C ATOM 196 O ASP A 16 46.692 -2.183 -0.001 1.00 0.00 O ATOM 197 CB ASP A 16 45.436 -1.154 2.942 1.00 0.00 C ATOM 198 CG ASP A 16 46.256 -2.361 3.383 1.00 0.00 C ATOM 199 OD1 ASP A 16 47.289 -2.158 4.000 1.00 0.00 O ATOM 200 OD2 ASP A 16 45.838 -3.472 3.096 1.00 0.00 O ATOM 0 H ASP A 16 44.707 1.029 2.021 1.00 0.00 H new ATOM 0 HA ASP A 16 47.087 -0.430 1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.442 -0.394 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.397 -1.446 2.788 1.00 0.00 H new ATOM 205 N LEU A 17 44.510 -1.639 0.085 1.00 0.00 N ATOM 206 CA LEU A 17 44.158 -2.527 -1.016 1.00 0.00 C ATOM 207 C LEU A 17 44.902 -2.099 -2.280 1.00 0.00 C ATOM 208 O LEU A 17 45.367 -2.939 -3.055 1.00 0.00 O ATOM 209 CB LEU A 17 42.640 -2.494 -1.258 1.00 0.00 C ATOM 210 CG LEU A 17 41.930 -3.414 -0.257 1.00 0.00 C ATOM 211 CD1 LEU A 17 42.144 -2.890 1.164 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.430 -3.440 -0.565 1.00 0.00 C ATOM 0 H LEU A 17 43.728 -1.120 0.485 1.00 0.00 H new ATOM 0 HA LEU A 17 44.448 -3.546 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.269 -1.474 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.419 -2.812 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 17 42.340 -4.421 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.639 -3.545 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.211 -2.868 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.735 -1.883 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.924 -4.093 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.024 -2.432 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.273 -3.813 -1.577 1.00 0.00 H new ATOM 224 N VAL A 18 45.015 -0.787 -2.478 1.00 0.00 N ATOM 225 CA VAL A 18 45.709 -0.259 -3.651 1.00 0.00 C ATOM 226 C VAL A 18 47.170 -0.713 -3.669 1.00 0.00 C ATOM 227 O VAL A 18 47.692 -1.083 -4.716 1.00 0.00 O ATOM 228 CB VAL A 18 45.640 1.272 -3.659 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.524 1.827 -4.780 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.194 1.713 -3.894 1.00 0.00 C ATOM 0 H VAL A 18 44.640 -0.077 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 18 45.215 -0.646 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 18 45.992 1.652 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.471 2.916 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.556 1.514 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.176 1.446 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.142 2.802 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.847 1.328 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.561 1.324 -3.097 1.00 0.00 H new ATOM 240 N LEU A 19 47.828 -0.675 -2.513 1.00 0.00 N ATOM 241 CA LEU A 19 49.230 -1.086 -2.425 1.00 0.00 C ATOM 242 C LEU A 19 49.382 -2.566 -2.759 1.00 0.00 C ATOM 243 O LEU A 19 50.298 -2.957 -3.476 1.00 0.00 O ATOM 244 CB LEU A 19 49.764 -0.841 -1.011 1.00 0.00 C ATOM 245 CG LEU A 19 49.841 0.666 -0.719 1.00 0.00 C ATOM 246 CD1 LEU A 19 49.995 0.873 0.790 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.041 1.302 -1.444 1.00 0.00 C ATOM 0 H LEU A 19 47.419 -0.367 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 19 49.798 -0.495 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 19 49.115 -1.326 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.752 -1.289 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 19 48.928 1.142 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.051 1.940 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.137 0.442 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.907 0.385 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.076 2.369 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 19 51.963 0.831 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 19 50.935 1.157 -2.519 1.00 0.00 H new ATOM 259 N THR A 20 48.490 -3.387 -2.224 1.00 0.00 N ATOM 260 CA THR A 20 48.557 -4.824 -2.466 1.00 0.00 C ATOM 261 C THR A 20 48.491 -5.138 -3.958 1.00 0.00 C ATOM 262 O THR A 20 49.333 -5.867 -4.489 1.00 0.00 O ATOM 263 CB THR A 20 47.399 -5.524 -1.749 1.00 0.00 C ATOM 264 OG1 THR A 20 47.314 -5.047 -0.413 1.00 0.00 O ATOM 265 CG2 THR A 20 47.637 -7.034 -1.740 1.00 0.00 C ATOM 0 H THR A 20 47.719 -3.089 -1.626 1.00 0.00 H new ATOM 0 HA THR A 20 49.509 -5.187 -2.079 1.00 0.00 H new ATOM 0 HB THR A 20 46.467 -5.311 -2.272 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.572 -5.493 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.811 -7.529 -1.229 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.700 -7.398 -2.765 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.569 -7.252 -1.219 1.00 0.00 H new ATOM 273 N VAL A 21 47.484 -4.593 -4.627 1.00 0.00 N ATOM 274 CA VAL A 21 47.310 -4.836 -6.055 1.00 0.00 C ATOM 275 C VAL A 21 48.376 -4.122 -6.881 1.00 0.00 C ATOM 276 O VAL A 21 48.722 -4.568 -7.974 1.00 0.00 O ATOM 277 CB VAL A 21 45.926 -4.358 -6.496 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.727 -4.665 -7.982 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.851 -5.077 -5.679 1.00 0.00 C ATOM 0 H VAL A 21 46.780 -3.984 -4.209 1.00 0.00 H new ATOM 0 HA VAL A 21 47.409 -5.908 -6.224 1.00 0.00 H new ATOM 0 HB VAL A 21 45.847 -3.283 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.740 -4.324 -8.295 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.491 -4.151 -8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.808 -5.740 -8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.865 -4.735 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.931 -6.152 -5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.990 -4.856 -4.621 1.00 0.00 H new ATOM 289 N LEU A 22 48.871 -3.003 -6.370 1.00 0.00 N ATOM 290 CA LEU A 22 49.873 -2.225 -7.091 1.00 0.00 C ATOM 291 C LEU A 22 51.230 -2.924 -7.112 1.00 0.00 C ATOM 292 O LEU A 22 51.826 -3.086 -8.175 1.00 0.00 O ATOM 293 CB LEU A 22 50.007 -0.837 -6.452 1.00 0.00 C ATOM 294 CG LEU A 22 51.141 -0.038 -7.119 1.00 0.00 C ATOM 295 CD1 LEU A 22 50.941 0.000 -8.642 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.132 1.394 -6.571 1.00 0.00 C ATOM 0 H LEU A 22 48.599 -2.615 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 22 49.540 -2.126 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.067 -0.294 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.207 -0.940 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 22 52.095 -0.518 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 22 51.750 0.568 -9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 50.943 -1.017 -9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 22 49.988 0.476 -8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.933 1.967 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.173 1.862 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.284 1.372 -5.492 1.00 0.00 H new ATOM 308 N ILE A 23 51.727 -3.327 -5.947 1.00 0.00 N ATOM 309 CA ILE A 23 53.024 -3.992 -5.894 1.00 0.00 C ATOM 310 C ILE A 23 52.923 -5.381 -6.510 1.00 0.00 C ATOM 311 O ILE A 23 53.842 -5.831 -7.185 1.00 0.00 O ATOM 312 CB ILE A 23 53.542 -4.119 -4.454 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.414 -2.773 -3.701 1.00 0.00 C ATOM 314 CG2 ILE A 23 55.014 -4.582 -4.493 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.555 -1.809 -4.054 1.00 0.00 C ATOM 0 H ILE A 23 51.264 -3.209 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 23 53.727 -3.379 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 23 52.941 -4.854 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.458 -2.310 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.413 -2.957 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.393 -4.676 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 23 55.079 -5.548 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.611 -3.850 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.427 -0.877 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.510 -2.261 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.540 -1.604 -5.124 1.00 0.00 H new ATOM 327 N ALA A 24 51.810 -6.066 -6.264 1.00 0.00 N ATOM 328 CA ALA A 24 51.631 -7.409 -6.800 1.00 0.00 C ATOM 329 C ALA A 24 51.511 -7.385 -8.322 1.00 0.00 C ATOM 330 O ALA A 24 52.117 -8.206 -9.011 1.00 0.00 O ATOM 331 CB ALA A 24 50.380 -8.051 -6.197 1.00 0.00 C ATOM 0 H ALA A 24 51.030 -5.719 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 24 52.509 -7.997 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 24 50.254 -9.055 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 24 50.487 -8.109 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.506 -7.448 -6.444 1.00 0.00 H new ATOM 337 N LEU A 25 50.729 -6.447 -8.845 1.00 0.00 N ATOM 338 CA LEU A 25 50.550 -6.346 -10.289 1.00 0.00 C ATOM 339 C LEU A 25 51.830 -5.843 -10.949 1.00 0.00 C ATOM 340 O LEU A 25 52.167 -6.245 -12.062 1.00 0.00 O ATOM 341 CB LEU A 25 49.386 -5.396 -10.606 1.00 0.00 C ATOM 342 CG LEU A 25 49.226 -5.220 -12.126 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.041 -6.585 -12.807 1.00 0.00 C ATOM 344 CD2 LEU A 25 47.999 -4.343 -12.398 1.00 0.00 C ATOM 0 H LEU A 25 50.215 -5.755 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 25 50.321 -7.336 -10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.463 -5.790 -10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.563 -4.427 -10.139 1.00 0.00 H new ATOM 0 HG LEU A 25 50.122 -4.748 -12.529 1.00 0.00 H new ATOM 0 HD11 LEU A 25 48.929 -6.443 -13.882 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.913 -7.210 -12.612 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.150 -7.072 -12.411 1.00 0.00 H new ATOM 0 HD21 LEU A 25 47.877 -4.212 -13.473 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.111 -4.823 -11.987 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.136 -3.370 -11.927 1.00 0.00 H new ATOM 356 N ALA A 26 52.526 -4.946 -10.260 1.00 0.00 N ATOM 357 CA ALA A 26 53.756 -4.376 -10.792 1.00 0.00 C ATOM 358 C ALA A 26 54.884 -5.405 -10.844 1.00 0.00 C ATOM 359 O ALA A 26 55.548 -5.543 -11.872 1.00 0.00 O ATOM 360 CB ALA A 26 54.196 -3.184 -9.940 1.00 0.00 C ATOM 0 H ALA A 26 52.261 -4.600 -9.338 1.00 0.00 H new ATOM 0 HA ALA A 26 53.548 -4.048 -11.811 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.117 -2.766 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.416 -2.422 -9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.369 -3.513 -8.915 1.00 0.00 H new ATOM 366 N VAL A 27 55.122 -6.114 -9.739 1.00 0.00 N ATOM 367 CA VAL A 27 56.201 -7.095 -9.719 1.00 0.00 C ATOM 368 C VAL A 27 55.886 -8.280 -10.627 1.00 0.00 C ATOM 369 O VAL A 27 56.745 -8.739 -11.379 1.00 0.00 O ATOM 370 CB VAL A 27 56.438 -7.586 -8.291 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.743 -6.385 -7.379 1.00 0.00 C ATOM 372 CG2 VAL A 27 55.192 -8.338 -7.783 1.00 0.00 C ATOM 0 H VAL A 27 54.596 -6.030 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 27 57.104 -6.610 -10.090 1.00 0.00 H new ATOM 0 HB VAL A 27 57.288 -8.268 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.912 -6.735 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.635 -5.872 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.899 -5.696 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.367 -8.686 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 27 54.332 -7.668 -7.795 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.994 -9.193 -8.429 1.00 0.00 H new ATOM 382 N TYR A 28 54.657 -8.776 -10.549 1.00 0.00 N ATOM 383 CA TYR A 28 54.255 -9.914 -11.368 1.00 0.00 C ATOM 384 C TYR A 28 54.311 -9.567 -12.853 1.00 0.00 C ATOM 385 O TYR A 28 54.838 -10.335 -13.659 1.00 0.00 O ATOM 386 CB TYR A 28 52.837 -10.353 -11.000 1.00 0.00 C ATOM 387 CG TYR A 28 52.497 -11.617 -11.752 1.00 0.00 C ATOM 388 CD1 TYR A 28 52.790 -12.865 -11.188 1.00 0.00 C ATOM 389 CD2 TYR A 28 51.892 -11.543 -13.012 1.00 0.00 C ATOM 390 CE1 TYR A 28 52.478 -14.039 -11.885 1.00 0.00 C ATOM 391 CE2 TYR A 28 51.580 -12.717 -13.709 1.00 0.00 C ATOM 392 CZ TYR A 28 51.872 -13.963 -13.146 1.00 0.00 C ATOM 393 OH TYR A 28 51.566 -15.120 -13.834 1.00 0.00 O ATOM 0 H TYR A 28 53.928 -8.413 -9.934 1.00 0.00 H new ATOM 0 HA TYR A 28 54.951 -10.730 -11.174 1.00 0.00 H new ATOM 0 HB2 TYR A 28 52.764 -10.524 -9.926 1.00 0.00 H new ATOM 0 HB3 TYR A 28 52.124 -9.566 -11.247 1.00 0.00 H new ATOM 0 HD1 TYR A 28 53.257 -12.922 -10.216 1.00 0.00 H new ATOM 0 HD2 TYR A 28 51.666 -10.581 -13.447 1.00 0.00 H new ATOM 0 HE1 TYR A 28 52.704 -15.002 -11.451 1.00 0.00 H new ATOM 0 HE2 TYR A 28 51.114 -12.660 -14.682 1.00 0.00 H new ATOM 0 HH TYR A 28 51.149 -14.891 -14.691 1.00 0.00 H new ATOM 403 N PHE A 29 53.759 -8.413 -13.212 1.00 0.00 N ATOM 404 CA PHE A 29 53.747 -7.986 -14.608 1.00 0.00 C ATOM 405 C PHE A 29 55.168 -7.808 -15.137 1.00 0.00 C ATOM 406 O PHE A 29 55.525 -8.363 -16.175 1.00 0.00 O ATOM 407 CB PHE A 29 52.980 -6.669 -14.745 1.00 0.00 C ATOM 408 CG PHE A 29 52.982 -6.233 -16.193 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.148 -6.875 -17.116 1.00 0.00 C ATOM 410 CD2 PHE A 29 53.819 -5.190 -16.612 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.149 -6.474 -18.457 1.00 0.00 C ATOM 412 CE2 PHE A 29 53.820 -4.790 -17.954 1.00 0.00 C ATOM 413 CZ PHE A 29 52.985 -5.431 -18.876 1.00 0.00 C ATOM 0 H PHE A 29 53.318 -7.761 -12.563 1.00 0.00 H new ATOM 0 HA PHE A 29 53.253 -8.760 -15.196 1.00 0.00 H new ATOM 0 HB2 PHE A 29 51.956 -6.794 -14.393 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.440 -5.902 -14.122 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.504 -7.680 -16.793 1.00 0.00 H new ATOM 0 HD2 PHE A 29 54.463 -4.695 -15.900 1.00 0.00 H new ATOM 0 HE1 PHE A 29 51.505 -6.969 -19.169 1.00 0.00 H new ATOM 0 HE2 PHE A 29 54.465 -3.987 -18.277 1.00 0.00 H new ATOM 0 HZ PHE A 29 52.985 -5.122 -19.911 1.00 0.00 H new ATOM 567 N GLY B 7 40.255 2.131 16.663 1.00 0.00 N ATOM 568 CA GLY B 7 41.660 1.772 16.818 1.00 0.00 C ATOM 569 C GLY B 7 42.108 0.838 15.700 1.00 0.00 C ATOM 570 O GLY B 7 43.231 0.940 15.204 1.00 0.00 O ATOM 0 HA2 GLY B 7 42.273 2.673 16.812 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.812 1.290 17.784 1.00 0.00 H new ATOM 574 N VAL B 8 41.223 -0.072 15.308 1.00 0.00 N ATOM 575 CA VAL B 8 41.546 -1.016 14.246 1.00 0.00 C ATOM 576 C VAL B 8 42.022 -0.259 13.010 1.00 0.00 C ATOM 577 O VAL B 8 43.004 -0.648 12.378 1.00 0.00 O ATOM 578 CB VAL B 8 40.321 -1.879 13.917 1.00 0.00 C ATOM 579 CG1 VAL B 8 39.194 -1.003 13.362 1.00 0.00 C ATOM 580 CG2 VAL B 8 40.704 -2.942 12.882 1.00 0.00 C ATOM 0 H VAL B 8 40.289 -0.175 15.704 1.00 0.00 H new ATOM 0 HA VAL B 8 42.348 -1.674 14.581 1.00 0.00 H new ATOM 0 HB VAL B 8 39.975 -2.367 14.828 1.00 0.00 H new ATOM 0 HG11 VAL B 8 38.329 -1.625 13.132 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.915 -0.255 14.104 1.00 0.00 H new ATOM 0 HG13 VAL B 8 39.534 -0.504 12.454 1.00 0.00 H new ATOM 0 HG21 VAL B 8 39.833 -3.554 12.650 1.00 0.00 H new ATOM 0 HG22 VAL B 8 41.058 -2.454 11.974 1.00 0.00 H new ATOM 0 HG23 VAL B 8 41.495 -3.575 13.286 1.00 0.00 H new ATOM 590 N LEU B 9 41.346 0.844 12.688 1.00 0.00 N ATOM 591 CA LEU B 9 41.743 1.656 11.538 1.00 0.00 C ATOM 592 C LEU B 9 43.243 1.976 11.637 1.00 0.00 C ATOM 593 O LEU B 9 44.012 1.737 10.699 1.00 0.00 O ATOM 594 CB LEU B 9 40.931 2.967 11.529 1.00 0.00 C ATOM 595 CG LEU B 9 39.656 2.846 10.666 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.007 2.784 9.155 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.857 1.599 11.083 1.00 0.00 C ATOM 0 H LEU B 9 40.534 1.192 13.198 1.00 0.00 H new ATOM 0 HA LEU B 9 41.549 1.107 10.617 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.655 3.231 12.550 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.553 3.777 11.147 1.00 0.00 H new ATOM 0 HG LEU B 9 39.044 3.733 10.831 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.090 2.699 8.572 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.537 3.692 8.867 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.640 1.918 8.964 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.959 1.520 10.470 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.471 0.710 10.943 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.574 1.682 12.132 1.00 0.00 H new ATOM 609 N ALA B 10 43.652 2.506 12.789 1.00 0.00 N ATOM 610 CA ALA B 10 45.056 2.837 13.005 1.00 0.00 C ATOM 611 C ALA B 10 45.907 1.601 12.761 1.00 0.00 C ATOM 612 O ALA B 10 47.022 1.670 12.240 1.00 0.00 O ATOM 613 CB ALA B 10 45.266 3.330 14.439 1.00 0.00 C ATOM 0 H ALA B 10 43.038 2.713 13.577 1.00 0.00 H new ATOM 0 HA ALA B 10 45.348 3.627 12.314 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.318 3.574 14.589 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.659 4.219 14.611 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.971 2.548 15.139 1.00 0.00 H new ATOM 619 N GLY B 11 45.357 0.460 13.127 1.00 0.00 N ATOM 620 CA GLY B 11 46.060 -0.796 12.934 1.00 0.00 C ATOM 621 C GLY B 11 46.287 -1.043 11.449 1.00 0.00 C ATOM 622 O GLY B 11 47.303 -1.616 11.045 1.00 0.00 O ATOM 0 H GLY B 11 44.435 0.375 13.555 1.00 0.00 H new ATOM 0 HA2 GLY B 11 47.016 -0.771 13.457 1.00 0.00 H new ATOM 0 HA3 GLY B 11 45.483 -1.615 13.363 1.00 0.00 H new ATOM 626 N ILE B 12 45.334 -0.606 10.632 1.00 0.00 N ATOM 627 CA ILE B 12 45.454 -0.793 9.197 1.00 0.00 C ATOM 628 C ILE B 12 46.532 0.128 8.613 1.00 0.00 C ATOM 629 O ILE B 12 47.256 -0.295 7.726 1.00 0.00 O ATOM 630 CB ILE B 12 44.094 -0.580 8.485 1.00 0.00 C ATOM 631 CG1 ILE B 12 43.231 -1.858 8.576 1.00 0.00 C ATOM 632 CG2 ILE B 12 44.321 -0.255 7.001 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.707 -2.046 9.997 1.00 0.00 C ATOM 0 H ILE B 12 44.485 -0.128 10.935 1.00 0.00 H new ATOM 0 HA ILE B 12 45.760 -1.824 9.021 1.00 0.00 H new ATOM 0 HB ILE B 12 43.582 0.247 8.977 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.395 -1.791 7.879 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.822 -2.725 8.282 1.00 0.00 H new ATOM 0 HG21 ILE B 12 43.359 -0.107 6.510 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.916 0.654 6.915 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.849 -1.081 6.524 1.00 0.00 H new ATOM 0 HD11 ILE B 12 42.101 -2.951 10.045 1.00 0.00 H new ATOM 0 HD12 ILE B 12 43.547 -2.135 10.686 1.00 0.00 H new ATOM 0 HD13 ILE B 12 42.098 -1.186 10.277 1.00 0.00 H new ATOM 645 N VAL B 13 46.644 1.380 9.074 1.00 0.00 N ATOM 646 CA VAL B 13 47.676 2.253 8.493 1.00 0.00 C ATOM 647 C VAL B 13 49.069 1.697 8.788 1.00 0.00 C ATOM 648 O VAL B 13 49.916 1.618 7.892 1.00 0.00 O ATOM 649 CB VAL B 13 47.556 3.724 8.955 1.00 0.00 C ATOM 650 CG1 VAL B 13 46.076 4.121 9.066 1.00 0.00 C ATOM 651 CG2 VAL B 13 48.267 3.947 10.302 1.00 0.00 C ATOM 0 H VAL B 13 46.069 1.796 9.806 1.00 0.00 H new ATOM 0 HA VAL B 13 47.515 2.260 7.415 1.00 0.00 H new ATOM 0 HB VAL B 13 48.043 4.353 8.210 1.00 0.00 H new ATOM 0 HG11 VAL B 13 46.001 5.158 9.392 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.596 4.010 8.094 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.580 3.476 9.791 1.00 0.00 H new ATOM 0 HG21 VAL B 13 48.164 4.991 10.599 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.817 3.308 11.061 1.00 0.00 H new ATOM 0 HG23 VAL B 13 49.324 3.701 10.201 1.00 0.00 H new ATOM 661 N VAL B 14 49.319 1.271 10.021 1.00 0.00 N ATOM 662 CA VAL B 14 50.628 0.700 10.301 1.00 0.00 C ATOM 663 C VAL B 14 50.803 -0.520 9.404 1.00 0.00 C ATOM 664 O VAL B 14 51.896 -0.797 8.893 1.00 0.00 O ATOM 665 CB VAL B 14 50.763 0.318 11.778 1.00 0.00 C ATOM 666 CG1 VAL B 14 49.569 -0.530 12.199 1.00 0.00 C ATOM 667 CG2 VAL B 14 52.053 -0.478 11.985 1.00 0.00 C ATOM 0 H VAL B 14 48.669 1.306 10.806 1.00 0.00 H new ATOM 0 HA VAL B 14 51.407 1.435 10.096 1.00 0.00 H new ATOM 0 HB VAL B 14 50.794 1.224 12.383 1.00 0.00 H new ATOM 0 HG11 VAL B 14 49.667 -0.801 13.250 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.650 0.038 12.055 1.00 0.00 H new ATOM 0 HG13 VAL B 14 49.534 -1.435 11.593 1.00 0.00 H new ATOM 0 HG21 VAL B 14 52.148 -0.749 13.036 1.00 0.00 H new ATOM 0 HG22 VAL B 14 52.024 -1.383 11.378 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.907 0.130 11.688 1.00 0.00 H new ATOM 677 N GLY B 15 49.696 -1.227 9.189 1.00 0.00 N ATOM 678 CA GLY B 15 49.701 -2.398 8.328 1.00 0.00 C ATOM 679 C GLY B 15 49.976 -2.007 6.877 1.00 0.00 C ATOM 680 O GLY B 15 50.546 -2.786 6.127 1.00 0.00 O ATOM 0 H GLY B 15 48.789 -1.007 9.600 1.00 0.00 H new ATOM 0 HA2 GLY B 15 50.460 -3.102 8.669 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.740 -2.908 8.395 1.00 0.00 H new ATOM 684 N ASP B 16 49.565 -0.798 6.490 1.00 0.00 N ATOM 685 CA ASP B 16 49.776 -0.320 5.126 1.00 0.00 C ATOM 686 C ASP B 16 51.267 -0.189 4.858 1.00 0.00 C ATOM 687 O ASP B 16 51.775 -0.677 3.844 1.00 0.00 O ATOM 688 CB ASP B 16 49.076 1.035 4.924 1.00 0.00 C ATOM 689 CG ASP B 16 49.427 1.636 3.566 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.605 1.731 3.263 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.510 2.009 2.854 1.00 0.00 O ATOM 0 H ASP B 16 49.086 -0.136 7.100 1.00 0.00 H new ATOM 0 HA ASP B 16 49.349 -1.037 4.424 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.996 0.905 5.000 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.371 1.722 5.717 1.00 0.00 H new ATOM 696 N LEU B 17 51.970 0.457 5.781 1.00 0.00 N ATOM 697 CA LEU B 17 53.410 0.623 5.627 1.00 0.00 C ATOM 698 C LEU B 17 54.070 -0.754 5.538 1.00 0.00 C ATOM 699 O LEU B 17 54.946 -0.988 4.699 1.00 0.00 O ATOM 700 CB LEU B 17 53.986 1.406 6.821 1.00 0.00 C ATOM 701 CG LEU B 17 53.822 2.916 6.596 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.337 3.275 6.547 1.00 0.00 C ATOM 703 CD2 LEU B 17 54.487 3.675 7.746 1.00 0.00 C ATOM 0 H LEU B 17 51.576 0.867 6.628 1.00 0.00 H new ATOM 0 HA LEU B 17 53.612 1.184 4.714 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.477 1.111 7.738 1.00 0.00 H new ATOM 0 HB3 LEU B 17 55.041 1.163 6.950 1.00 0.00 H new ATOM 0 HG LEU B 17 54.291 3.191 5.651 1.00 0.00 H new ATOM 0 HD11 LEU B 17 52.227 4.348 6.387 1.00 0.00 H new ATOM 0 HD12 LEU B 17 51.859 2.735 5.729 1.00 0.00 H new ATOM 0 HD13 LEU B 17 51.864 2.998 7.489 1.00 0.00 H new ATOM 0 HD21 LEU B 17 54.372 4.747 7.589 1.00 0.00 H new ATOM 0 HD22 LEU B 17 54.016 3.394 8.688 1.00 0.00 H new ATOM 0 HD23 LEU B 17 55.547 3.425 7.782 1.00 0.00 H new ATOM 715 N VAL B 18 53.638 -1.661 6.410 1.00 0.00 N ATOM 716 CA VAL B 18 54.186 -3.013 6.429 1.00 0.00 C ATOM 717 C VAL B 18 53.814 -3.786 5.161 1.00 0.00 C ATOM 718 O VAL B 18 54.511 -4.719 4.775 1.00 0.00 O ATOM 719 CB VAL B 18 53.668 -3.763 7.658 1.00 0.00 C ATOM 720 CG1 VAL B 18 54.242 -5.181 7.673 1.00 0.00 C ATOM 721 CG2 VAL B 18 54.103 -3.023 8.927 1.00 0.00 C ATOM 0 H VAL B 18 52.915 -1.486 7.108 1.00 0.00 H new ATOM 0 HA VAL B 18 55.272 -2.935 6.472 1.00 0.00 H new ATOM 0 HB VAL B 18 52.580 -3.813 7.620 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.872 -5.714 8.549 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.933 -5.708 6.770 1.00 0.00 H new ATOM 0 HG13 VAL B 18 55.330 -5.133 7.710 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.735 -3.556 9.803 1.00 0.00 H new ATOM 0 HG22 VAL B 18 55.191 -2.972 8.964 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.693 -2.013 8.918 1.00 0.00 H new ATOM 731 N LEU B 19 52.709 -3.404 4.527 1.00 0.00 N ATOM 732 CA LEU B 19 52.255 -4.081 3.312 1.00 0.00 C ATOM 733 C LEU B 19 53.192 -3.765 2.149 1.00 0.00 C ATOM 734 O LEU B 19 53.668 -4.668 1.452 1.00 0.00 O ATOM 735 CB LEU B 19 50.814 -3.624 2.990 1.00 0.00 C ATOM 736 CG LEU B 19 50.033 -4.715 2.236 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.535 -4.407 2.294 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.477 -4.754 0.775 1.00 0.00 C ATOM 0 H LEU B 19 52.113 -2.634 4.831 1.00 0.00 H new ATOM 0 HA LEU B 19 52.264 -5.160 3.468 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.294 -3.376 3.915 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.845 -2.715 2.389 1.00 0.00 H new ATOM 0 HG LEU B 19 50.230 -5.680 2.704 1.00 0.00 H new ATOM 0 HD11 LEU B 19 47.984 -5.181 1.760 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.209 -4.381 3.334 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.344 -3.439 1.830 1.00 0.00 H new ATOM 0 HD21 LEU B 19 49.921 -5.528 0.246 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.284 -3.787 0.310 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.543 -4.975 0.725 1.00 0.00 H new ATOM 750 N THR B 20 53.461 -2.480 1.952 1.00 0.00 N ATOM 751 CA THR B 20 54.348 -2.056 0.875 1.00 0.00 C ATOM 752 C THR B 20 55.749 -2.621 1.079 1.00 0.00 C ATOM 753 O THR B 20 56.371 -3.117 0.140 1.00 0.00 O ATOM 754 CB THR B 20 54.421 -0.528 0.829 1.00 0.00 C ATOM 755 OG1 THR B 20 53.138 -0.005 0.525 1.00 0.00 O ATOM 756 CG2 THR B 20 55.417 -0.094 -0.248 1.00 0.00 C ATOM 0 H THR B 20 53.082 -1.720 2.517 1.00 0.00 H new ATOM 0 HA THR B 20 53.947 -2.433 -0.066 1.00 0.00 H new ATOM 0 HB THR B 20 54.749 -0.151 1.797 1.00 0.00 H new ATOM 0 HG1 THR B 20 53.142 0.967 0.653 1.00 0.00 H new ATOM 0 HG21 THR B 20 55.468 0.994 -0.279 1.00 0.00 H new ATOM 0 HG22 THR B 20 56.403 -0.497 -0.015 1.00 0.00 H new ATOM 0 HG23 THR B 20 55.091 -0.470 -1.218 1.00 0.00 H new ATOM 764 N VAL B 21 56.244 -2.527 2.307 1.00 0.00 N ATOM 765 CA VAL B 21 57.582 -3.019 2.615 1.00 0.00 C ATOM 766 C VAL B 21 57.652 -4.542 2.539 1.00 0.00 C ATOM 767 O VAL B 21 58.700 -5.102 2.224 1.00 0.00 O ATOM 768 CB VAL B 21 57.994 -2.565 4.017 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.383 -3.116 4.345 1.00 0.00 C ATOM 770 CG2 VAL B 21 58.028 -1.037 4.073 1.00 0.00 C ATOM 0 H VAL B 21 55.746 -2.119 3.098 1.00 0.00 H new ATOM 0 HA VAL B 21 58.265 -2.607 1.872 1.00 0.00 H new ATOM 0 HB VAL B 21 57.272 -2.939 4.743 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.676 -2.792 5.344 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.360 -4.205 4.308 1.00 0.00 H new ATOM 0 HG13 VAL B 21 60.103 -2.743 3.617 1.00 0.00 H new ATOM 0 HG21 VAL B 21 58.322 -0.716 5.072 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.748 -0.662 3.345 1.00 0.00 H new ATOM 0 HG23 VAL B 21 57.039 -0.642 3.841 1.00 0.00 H new ATOM 780 N LEU B 22 56.548 -5.208 2.850 1.00 0.00 N ATOM 781 CA LEU B 22 56.523 -6.669 2.832 1.00 0.00 C ATOM 782 C LEU B 22 56.642 -7.221 1.415 1.00 0.00 C ATOM 783 O LEU B 22 57.481 -8.078 1.154 1.00 0.00 O ATOM 784 CB LEU B 22 55.228 -7.175 3.487 1.00 0.00 C ATOM 785 CG LEU B 22 55.098 -8.700 3.334 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.362 -9.391 3.863 1.00 0.00 C ATOM 787 CD2 LEU B 22 53.883 -9.177 4.137 1.00 0.00 C ATOM 0 H LEU B 22 55.666 -4.769 3.115 1.00 0.00 H new ATOM 0 HA LEU B 22 57.384 -7.025 3.397 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.222 -6.909 4.544 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.368 -6.685 3.030 1.00 0.00 H new ATOM 0 HG LEU B 22 54.972 -8.950 2.281 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.261 -10.470 3.751 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.228 -9.047 3.298 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.496 -9.147 4.917 1.00 0.00 H new ATOM 0 HD21 LEU B 22 53.781 -10.257 4.036 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.019 -8.922 5.188 1.00 0.00 H new ATOM 0 HD23 LEU B 22 52.984 -8.691 3.759 1.00 0.00 H new ATOM 799 N ILE B 23 55.797 -6.748 0.508 1.00 0.00 N ATOM 800 CA ILE B 23 55.839 -7.242 -0.867 1.00 0.00 C ATOM 801 C ILE B 23 57.087 -6.731 -1.580 1.00 0.00 C ATOM 802 O ILE B 23 57.727 -7.473 -2.324 1.00 0.00 O ATOM 803 CB ILE B 23 54.564 -6.835 -1.620 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.354 -7.347 -0.832 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.547 -7.464 -3.028 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.073 -6.724 -1.382 1.00 0.00 C ATOM 0 H ILE B 23 55.088 -6.038 0.691 1.00 0.00 H new ATOM 0 HA ILE B 23 55.886 -8.331 -0.847 1.00 0.00 H new ATOM 0 HB ILE B 23 54.532 -5.750 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.298 -8.433 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.465 -7.099 0.224 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.637 -7.166 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.416 -7.121 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.576 -8.550 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.217 -7.093 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.128 -5.639 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE B 23 51.958 -6.995 -2.432 1.00 0.00 H new ATOM 818 N ALA B 24 57.439 -5.469 -1.352 1.00 0.00 N ATOM 819 CA ALA B 24 58.623 -4.906 -1.988 1.00 0.00 C ATOM 820 C ALA B 24 59.878 -5.633 -1.513 1.00 0.00 C ATOM 821 O ALA B 24 60.776 -5.919 -2.306 1.00 0.00 O ATOM 822 CB ALA B 24 58.737 -3.415 -1.663 1.00 0.00 C ATOM 0 H ALA B 24 56.931 -4.828 -0.743 1.00 0.00 H new ATOM 0 HA ALA B 24 58.528 -5.031 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.625 -3.005 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.853 -2.894 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.814 -3.283 -0.584 1.00 0.00 H new ATOM 828 N LEU B 25 59.932 -5.936 -0.220 1.00 0.00 N ATOM 829 CA LEU B 25 61.081 -6.638 0.337 1.00 0.00 C ATOM 830 C LEU B 25 61.063 -8.097 -0.102 1.00 0.00 C ATOM 831 O LEU B 25 62.109 -8.726 -0.257 1.00 0.00 O ATOM 832 CB LEU B 25 61.054 -6.551 1.869 1.00 0.00 C ATOM 833 CG LEU B 25 62.222 -7.339 2.480 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.561 -6.839 1.915 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.203 -7.151 4.002 1.00 0.00 C ATOM 0 H LEU B 25 59.202 -5.709 0.455 1.00 0.00 H new ATOM 0 HA LEU B 25 61.995 -6.170 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU B 25 61.111 -5.508 2.180 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.109 -6.944 2.244 1.00 0.00 H new ATOM 0 HG LEU B 25 62.114 -8.395 2.231 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.378 -7.408 2.358 1.00 0.00 H new ATOM 0 HD12 LEU B 25 63.572 -6.972 0.833 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.684 -5.782 2.152 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.028 -7.706 4.448 1.00 0.00 H new ATOM 0 HD22 LEU B 25 62.308 -6.092 4.239 1.00 0.00 H new ATOM 0 HD23 LEU B 25 61.259 -7.521 4.403 1.00 0.00 H new ATOM 847 N ALA B 26 59.860 -8.628 -0.290 1.00 0.00 N ATOM 848 CA ALA B 26 59.699 -10.015 -0.701 1.00 0.00 C ATOM 849 C ALA B 26 60.236 -10.232 -2.110 1.00 0.00 C ATOM 850 O ALA B 26 61.047 -11.131 -2.337 1.00 0.00 O ATOM 851 CB ALA B 26 58.220 -10.404 -0.651 1.00 0.00 C ATOM 0 H ALA B 26 58.985 -8.119 -0.164 1.00 0.00 H new ATOM 0 HA ALA B 26 60.267 -10.642 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.106 -11.443 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA B 26 57.847 -10.285 0.366 1.00 0.00 H new ATOM 0 HB3 ALA B 26 57.652 -9.762 -1.324 1.00 0.00 H new ATOM 857 N VAL B 27 59.783 -9.416 -3.060 1.00 0.00 N ATOM 858 CA VAL B 27 60.244 -9.563 -4.434 1.00 0.00 C ATOM 859 C VAL B 27 61.702 -9.136 -4.565 1.00 0.00 C ATOM 860 O VAL B 27 62.466 -9.729 -5.326 1.00 0.00 O ATOM 861 CB VAL B 27 59.368 -8.727 -5.360 1.00 0.00 C ATOM 862 CG1 VAL B 27 57.909 -9.167 -5.203 1.00 0.00 C ATOM 863 CG2 VAL B 27 59.508 -7.247 -4.987 1.00 0.00 C ATOM 0 H VAL B 27 59.112 -8.663 -2.907 1.00 0.00 H new ATOM 0 HA VAL B 27 60.171 -10.613 -4.716 1.00 0.00 H new ATOM 0 HB VAL B 27 59.679 -8.868 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL B 27 57.277 -8.573 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL B 27 57.817 -10.221 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL B 27 57.594 -9.021 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL B 27 58.883 -6.645 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.192 -7.101 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL B 27 60.549 -6.942 -5.094 1.00 0.00 H new ATOM 873 N TYR B 28 62.082 -8.105 -3.818 1.00 0.00 N ATOM 874 CA TYR B 28 63.452 -7.610 -3.861 1.00 0.00 C ATOM 875 C TYR B 28 64.426 -8.688 -3.394 1.00 0.00 C ATOM 876 O TYR B 28 65.434 -8.953 -4.049 1.00 0.00 O ATOM 877 CB TYR B 28 63.587 -6.375 -2.969 1.00 0.00 C ATOM 878 CG TYR B 28 65.017 -5.891 -2.991 1.00 0.00 C ATOM 879 CD1 TYR B 28 65.450 -5.032 -4.006 1.00 0.00 C ATOM 880 CD2 TYR B 28 65.910 -6.302 -1.992 1.00 0.00 C ATOM 881 CE1 TYR B 28 66.775 -4.582 -4.026 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.236 -5.851 -2.012 1.00 0.00 C ATOM 883 CZ TYR B 28 67.668 -4.992 -3.030 1.00 0.00 C ATOM 884 OH TYR B 28 68.975 -4.549 -3.050 1.00 0.00 O ATOM 0 H TYR B 28 61.466 -7.600 -3.181 1.00 0.00 H new ATOM 0 HA TYR B 28 63.691 -7.343 -4.890 1.00 0.00 H new ATOM 0 HB2 TYR B 28 62.920 -5.587 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.289 -6.616 -1.949 1.00 0.00 H new ATOM 0 HD1 TYR B 28 64.761 -4.716 -4.775 1.00 0.00 H new ATOM 0 HD2 TYR B 28 65.576 -6.965 -1.208 1.00 0.00 H new ATOM 0 HE1 TYR B 28 67.108 -3.918 -4.810 1.00 0.00 H new ATOM 0 HE2 TYR B 28 67.925 -6.166 -1.242 1.00 0.00 H new ATOM 0 HH TYR B 28 69.460 -4.927 -2.287 1.00 0.00 H new ATOM 894 N PHE B 29 64.118 -9.303 -2.257 1.00 0.00 N ATOM 895 CA PHE B 29 64.973 -10.350 -1.706 1.00 0.00 C ATOM 896 C PHE B 29 65.038 -11.548 -2.649 1.00 0.00 C ATOM 897 O PHE B 29 66.119 -12.062 -2.939 1.00 0.00 O ATOM 898 CB PHE B 29 64.432 -10.800 -0.348 1.00 0.00 C ATOM 899 CG PHE B 29 65.370 -11.817 0.256 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.449 -11.394 1.042 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.161 -13.183 0.030 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.318 -12.337 1.603 1.00 0.00 C ATOM 903 CE2 PHE B 29 66.031 -14.126 0.592 1.00 0.00 C ATOM 904 CZ PHE B 29 67.108 -13.703 1.378 1.00 0.00 C ATOM 0 H PHE B 29 63.288 -9.097 -1.701 1.00 0.00 H new ATOM 0 HA PHE B 29 65.978 -9.944 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.331 -9.943 0.317 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.438 -11.231 -0.465 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.611 -10.340 1.215 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.330 -13.509 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.150 -12.011 2.209 1.00 0.00 H new ATOM 0 HE2 PHE B 29 65.870 -15.180 0.418 1.00 0.00 H new ATOM 0 HZ PHE B 29 67.778 -14.431 1.812 1.00 0.00 H new