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 76:sc= -0.54 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot -175:sc= -3.15! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLY A 7 37.745 10.293 8.911 1.00 0.00 N ATOM 77 CA GLY A 7 37.557 9.734 7.576 1.00 0.00 C ATOM 78 C GLY A 7 38.894 9.363 6.940 1.00 0.00 C ATOM 79 O GLY A 7 38.977 8.424 6.144 1.00 0.00 O ATOM 0 HA2 GLY A 7 36.922 8.850 7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.040 10.457 6.946 1.00 0.00 H new ATOM 83 N VAL A 8 39.940 10.104 7.289 1.00 0.00 N ATOM 84 CA VAL A 8 41.260 9.835 6.734 1.00 0.00 C ATOM 85 C VAL A 8 41.588 8.346 6.858 1.00 0.00 C ATOM 86 O VAL A 8 42.105 7.744 5.921 1.00 0.00 O ATOM 87 CB VAL A 8 42.315 10.703 7.446 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.057 10.703 8.954 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.725 10.165 7.165 1.00 0.00 C ATOM 0 H VAL A 8 39.901 10.885 7.944 1.00 0.00 H new ATOM 0 HA VAL A 8 41.268 10.093 5.675 1.00 0.00 H new ATOM 0 HB VAL A 8 42.242 11.722 7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 8 42.807 11.319 9.451 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.065 11.108 9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.116 9.683 9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.460 10.788 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 8 43.803 9.141 7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.914 10.184 6.092 1.00 0.00 H new ATOM 99 N LEU A 9 41.264 7.757 8.007 1.00 0.00 N ATOM 100 CA LEU A 9 41.516 6.332 8.230 1.00 0.00 C ATOM 101 C LEU A 9 40.918 5.511 7.076 1.00 0.00 C ATOM 102 O LEU A 9 41.607 4.699 6.448 1.00 0.00 O ATOM 103 CB LEU A 9 40.868 5.908 9.566 1.00 0.00 C ATOM 104 CG LEU A 9 41.856 6.031 10.745 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.040 5.042 10.594 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.365 7.477 10.844 1.00 0.00 C ATOM 0 H LEU A 9 40.829 8.239 8.794 1.00 0.00 H new ATOM 0 HA LEU A 9 42.590 6.152 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 9 39.993 6.528 9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.519 4.878 9.490 1.00 0.00 H new ATOM 0 HG LEU A 9 41.331 5.773 11.665 1.00 0.00 H new ATOM 0 HD11 LEU A 9 43.718 5.154 11.440 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.660 4.021 10.566 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.576 5.255 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.062 7.561 11.677 1.00 0.00 H new ATOM 0 HD22 LEU A 9 42.872 7.749 9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 9 41.522 8.149 11.007 1.00 0.00 H new ATOM 118 N ALA A 10 39.635 5.740 6.794 1.00 0.00 N ATOM 119 CA ALA A 10 38.964 5.031 5.710 1.00 0.00 C ATOM 120 C ALA A 10 39.771 5.198 4.429 1.00 0.00 C ATOM 121 O ALA A 10 39.913 4.275 3.616 1.00 0.00 O ATOM 122 CB ALA A 10 37.556 5.594 5.509 1.00 0.00 C ATOM 0 H ALA A 10 39.047 6.404 7.297 1.00 0.00 H new ATOM 0 HA ALA A 10 38.888 3.973 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.063 5.059 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 10 36.981 5.472 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.620 6.653 5.259 1.00 0.00 H new ATOM 128 N GLY A 11 40.317 6.390 4.272 1.00 0.00 N ATOM 129 CA GLY A 11 41.128 6.698 3.105 1.00 0.00 C ATOM 130 C GLY A 11 42.353 5.796 3.060 1.00 0.00 C ATOM 131 O GLY A 11 42.782 5.358 1.989 1.00 0.00 O ATOM 0 H GLY A 11 40.215 7.159 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.538 6.566 2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.438 7.743 3.135 1.00 0.00 H new ATOM 135 N ILE A 12 42.914 5.515 4.231 1.00 0.00 N ATOM 136 CA ILE A 12 44.088 4.661 4.303 1.00 0.00 C ATOM 137 C ILE A 12 43.760 3.243 3.855 1.00 0.00 C ATOM 138 O ILE A 12 44.533 2.642 3.118 1.00 0.00 O ATOM 139 CB ILE A 12 44.656 4.630 5.723 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.000 6.056 6.195 1.00 0.00 C ATOM 141 CG2 ILE A 12 45.912 3.758 5.746 1.00 0.00 C ATOM 142 CD1 ILE A 12 45.936 6.758 5.201 1.00 0.00 C ATOM 0 H ILE A 12 42.579 5.862 5.130 1.00 0.00 H new ATOM 0 HA ILE A 12 44.837 5.079 3.631 1.00 0.00 H new ATOM 0 HB ILE A 12 43.908 4.213 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.084 6.636 6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.473 6.013 7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.320 3.734 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.658 2.745 5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.655 4.173 5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 12 46.161 7.762 5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 12 46.861 6.189 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.451 6.822 4.227 1.00 0.00 H new ATOM 154 N VAL A 13 42.620 2.699 4.289 1.00 0.00 N ATOM 155 CA VAL A 13 42.277 1.338 3.869 1.00 0.00 C ATOM 156 C VAL A 13 42.236 1.295 2.346 1.00 0.00 C ATOM 157 O VAL A 13 42.767 0.372 1.725 1.00 0.00 O ATOM 158 CB VAL A 13 40.941 0.827 4.490 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.656 1.538 5.809 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.749 1.040 3.540 1.00 0.00 C ATOM 0 H VAL A 13 41.946 3.155 4.903 1.00 0.00 H new ATOM 0 HA VAL A 13 43.045 0.660 4.241 1.00 0.00 H new ATOM 0 HB VAL A 13 41.061 -0.242 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.720 1.168 6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.468 1.344 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.576 2.611 5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 13 38.838 0.670 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.641 2.103 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 13 39.923 0.498 2.611 1.00 0.00 H new ATOM 170 N VAL A 14 41.637 2.314 1.738 1.00 0.00 N ATOM 171 CA VAL A 14 41.592 2.357 0.283 1.00 0.00 C ATOM 172 C VAL A 14 43.017 2.240 -0.248 1.00 0.00 C ATOM 173 O VAL A 14 43.290 1.490 -1.190 1.00 0.00 O ATOM 174 CB VAL A 14 40.962 3.668 -0.194 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.966 3.721 -1.724 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.522 3.749 0.310 1.00 0.00 C ATOM 0 H VAL A 14 41.189 3.098 2.213 1.00 0.00 H new ATOM 0 HA VAL A 14 40.984 1.533 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 14 41.538 4.507 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.516 4.656 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.992 3.662 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.393 2.882 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.070 4.682 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.952 2.907 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.515 3.717 1.399 1.00 0.00 H new ATOM 186 N GLY A 15 43.927 2.974 0.387 1.00 0.00 N ATOM 187 CA GLY A 15 45.331 2.940 -0.002 1.00 0.00 C ATOM 188 C GLY A 15 45.908 1.539 0.183 1.00 0.00 C ATOM 189 O GLY A 15 46.784 1.117 -0.567 1.00 0.00 O ATOM 0 H GLY A 15 43.718 3.595 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.433 3.246 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.897 3.654 0.597 1.00 0.00 H new ATOM 193 N ASP A 16 45.406 0.822 1.189 1.00 0.00 N ATOM 194 CA ASP A 16 45.873 -0.533 1.467 1.00 0.00 C ATOM 195 C ASP A 16 45.615 -1.431 0.266 1.00 0.00 C ATOM 196 O ASP A 16 46.509 -2.143 -0.192 1.00 0.00 O ATOM 197 CB ASP A 16 45.154 -1.098 2.695 1.00 0.00 C ATOM 198 CG ASP A 16 45.874 -2.346 3.193 1.00 0.00 C ATOM 199 OD1 ASP A 16 45.933 -3.309 2.447 1.00 0.00 O ATOM 200 OD2 ASP A 16 46.356 -2.321 4.313 1.00 0.00 O ATOM 0 H ASP A 16 44.679 1.157 1.821 1.00 0.00 H new ATOM 0 HA ASP A 16 46.944 -0.498 1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.121 -0.347 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.122 -1.340 2.443 1.00 0.00 H new ATOM 205 N LEU A 17 44.392 -1.382 -0.250 1.00 0.00 N ATOM 206 CA LEU A 17 44.039 -2.188 -1.413 1.00 0.00 C ATOM 207 C LEU A 17 44.902 -1.773 -2.602 1.00 0.00 C ATOM 208 O LEU A 17 45.334 -2.610 -3.393 1.00 0.00 O ATOM 209 CB LEU A 17 42.549 -2.005 -1.750 1.00 0.00 C ATOM 210 CG LEU A 17 41.696 -2.932 -0.878 1.00 0.00 C ATOM 211 CD1 LEU A 17 41.925 -2.605 0.598 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.218 -2.736 -1.220 1.00 0.00 C ATOM 0 H LEU A 17 43.637 -0.800 0.113 1.00 0.00 H new ATOM 0 HA LEU A 17 44.219 -3.240 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.256 -0.968 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.377 -2.223 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 17 41.980 -3.967 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.317 -3.266 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.978 -2.746 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.644 -1.569 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.611 -3.395 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.936 -1.700 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.053 -2.973 -2.271 1.00 0.00 H new ATOM 224 N VAL A 18 45.149 -0.471 -2.715 1.00 0.00 N ATOM 225 CA VAL A 18 45.964 0.051 -3.806 1.00 0.00 C ATOM 226 C VAL A 18 47.386 -0.512 -3.746 1.00 0.00 C ATOM 227 O VAL A 18 47.963 -0.860 -4.772 1.00 0.00 O ATOM 228 CB VAL A 18 46.008 1.582 -3.734 1.00 0.00 C ATOM 229 CG1 VAL A 18 47.003 2.125 -4.764 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.615 2.146 -4.025 1.00 0.00 C ATOM 0 H VAL A 18 44.799 0.237 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 18 45.513 -0.257 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 18 46.325 1.884 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 18 47.029 3.213 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.996 1.727 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.693 1.822 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.645 3.234 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.299 1.838 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.908 1.768 -3.287 1.00 0.00 H new ATOM 240 N LEU A 19 47.948 -0.588 -2.544 1.00 0.00 N ATOM 241 CA LEU A 19 49.306 -1.100 -2.369 1.00 0.00 C ATOM 242 C LEU A 19 49.380 -2.584 -2.717 1.00 0.00 C ATOM 243 O LEU A 19 50.318 -3.032 -3.374 1.00 0.00 O ATOM 244 CB LEU A 19 49.750 -0.908 -0.916 1.00 0.00 C ATOM 245 CG LEU A 19 49.921 0.588 -0.602 1.00 0.00 C ATOM 246 CD1 LEU A 19 49.893 0.791 0.918 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.258 1.109 -1.160 1.00 0.00 C ATOM 0 H LEU A 19 47.488 -0.303 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 19 49.964 -0.546 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 19 49.013 -1.346 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.690 -1.432 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 19 49.107 1.141 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.014 1.850 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 19 48.940 0.441 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.705 0.226 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.361 2.169 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.081 0.557 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.280 0.970 -2.241 1.00 0.00 H new ATOM 259 N THR A 20 48.396 -3.344 -2.256 1.00 0.00 N ATOM 260 CA THR A 20 48.373 -4.782 -2.506 1.00 0.00 C ATOM 261 C THR A 20 48.319 -5.084 -4.000 1.00 0.00 C ATOM 262 O THR A 20 49.111 -5.874 -4.510 1.00 0.00 O ATOM 263 CB THR A 20 47.157 -5.406 -1.820 1.00 0.00 C ATOM 264 OG1 THR A 20 47.062 -4.913 -0.494 1.00 0.00 O ATOM 265 CG2 THR A 20 47.306 -6.928 -1.792 1.00 0.00 C ATOM 0 H THR A 20 47.608 -2.994 -1.711 1.00 0.00 H new ATOM 0 HA THR A 20 49.291 -5.209 -2.101 1.00 0.00 H new ATOM 0 HB THR A 20 46.254 -5.144 -2.372 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.717 -3.996 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.438 -7.370 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.378 -7.305 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.208 -7.195 -1.241 1.00 0.00 H new ATOM 273 N VAL A 21 47.370 -4.465 -4.689 1.00 0.00 N ATOM 274 CA VAL A 21 47.202 -4.690 -6.121 1.00 0.00 C ATOM 275 C VAL A 21 48.322 -4.052 -6.939 1.00 0.00 C ATOM 276 O VAL A 21 48.687 -4.553 -8.002 1.00 0.00 O ATOM 277 CB VAL A 21 45.854 -4.117 -6.572 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.684 -4.322 -8.077 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.722 -4.831 -5.830 1.00 0.00 C ATOM 0 H VAL A 21 46.706 -3.805 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 21 47.237 -5.766 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 21 45.823 -3.051 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.724 -3.913 -8.394 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.488 -3.812 -8.607 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.718 -5.387 -8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.763 -4.424 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.756 -5.897 -6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.839 -4.681 -4.757 1.00 0.00 H new ATOM 289 N LEU A 22 48.843 -2.933 -6.459 1.00 0.00 N ATOM 290 CA LEU A 22 49.898 -2.227 -7.178 1.00 0.00 C ATOM 291 C LEU A 22 51.189 -3.038 -7.225 1.00 0.00 C ATOM 292 O LEU A 22 51.715 -3.310 -8.307 1.00 0.00 O ATOM 293 CB LEU A 22 50.150 -0.867 -6.511 1.00 0.00 C ATOM 294 CG LEU A 22 51.365 -0.170 -7.139 1.00 0.00 C ATOM 295 CD1 LEU A 22 51.205 -0.099 -8.662 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.469 1.249 -6.572 1.00 0.00 C ATOM 0 H LEU A 22 48.557 -2.496 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 22 49.568 -2.078 -8.206 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.268 -0.236 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.316 -1.006 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 22 52.267 -0.735 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.073 0.397 -9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 22 51.124 -1.108 -9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 22 50.304 0.464 -8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.329 1.754 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.562 1.804 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.590 1.200 -5.490 1.00 0.00 H new ATOM 308 N ILE A 23 51.708 -3.425 -6.064 1.00 0.00 N ATOM 309 CA ILE A 23 52.938 -4.189 -6.038 1.00 0.00 C ATOM 310 C ILE A 23 52.679 -5.581 -6.606 1.00 0.00 C ATOM 311 O ILE A 23 53.488 -6.106 -7.367 1.00 0.00 O ATOM 312 CB ILE A 23 53.491 -4.309 -4.609 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.408 -2.954 -3.858 1.00 0.00 C ATOM 314 CG2 ILE A 23 54.956 -4.786 -4.679 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.558 -2.020 -4.249 1.00 0.00 C ATOM 0 H ILE A 23 51.302 -3.225 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 23 53.679 -3.669 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 23 52.888 -5.030 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.456 -2.472 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.432 -3.131 -2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.358 -4.875 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 23 54.999 -5.756 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.547 -4.065 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.466 -1.081 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.509 -2.491 -4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.518 -1.822 -5.320 1.00 0.00 H new ATOM 327 N ALA A 24 51.542 -6.176 -6.231 1.00 0.00 N ATOM 328 CA ALA A 24 51.198 -7.511 -6.712 1.00 0.00 C ATOM 329 C ALA A 24 51.171 -7.543 -8.235 1.00 0.00 C ATOM 330 O ALA A 24 51.638 -8.499 -8.852 1.00 0.00 O ATOM 331 CB ALA A 24 49.834 -7.935 -6.168 1.00 0.00 C ATOM 0 H ALA A 24 50.854 -5.758 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 24 51.959 -8.206 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.590 -8.932 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 24 49.864 -7.946 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.074 -7.229 -6.503 1.00 0.00 H new ATOM 337 N LEU A 25 50.625 -6.495 -8.841 1.00 0.00 N ATOM 338 CA LEU A 25 50.562 -6.433 -10.293 1.00 0.00 C ATOM 339 C LEU A 25 51.967 -6.272 -10.858 1.00 0.00 C ATOM 340 O LEU A 25 52.296 -6.823 -11.908 1.00 0.00 O ATOM 341 CB LEU A 25 49.673 -5.262 -10.736 1.00 0.00 C ATOM 342 CG LEU A 25 49.674 -5.131 -12.268 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.255 -6.459 -12.920 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.688 -4.030 -12.673 1.00 0.00 C ATOM 0 H LEU A 25 50.226 -5.690 -8.358 1.00 0.00 H new ATOM 0 HA LEU A 25 50.128 -7.358 -10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.655 -5.416 -10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.031 -4.336 -10.286 1.00 0.00 H new ATOM 0 HG LEU A 25 50.679 -4.878 -12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.261 -6.350 -14.004 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.955 -7.243 -12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.252 -6.727 -12.588 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.681 -3.929 -13.758 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.688 -4.292 -12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.992 -3.085 -12.223 1.00 0.00 H new ATOM 356 N ALA A 26 52.790 -5.499 -10.153 1.00 0.00 N ATOM 357 CA ALA A 26 54.161 -5.255 -10.592 1.00 0.00 C ATOM 358 C ALA A 26 54.969 -6.552 -10.671 1.00 0.00 C ATOM 359 O ALA A 26 55.568 -6.847 -11.706 1.00 0.00 O ATOM 360 CB ALA A 26 54.848 -4.286 -9.632 1.00 0.00 C ATOM 0 H ALA A 26 52.534 -5.034 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 26 54.117 -4.822 -11.591 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.871 -4.108 -9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.302 -3.343 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.862 -4.715 -8.630 1.00 0.00 H new ATOM 366 N VAL A 27 55.008 -7.318 -9.579 1.00 0.00 N ATOM 367 CA VAL A 27 55.777 -8.563 -9.576 1.00 0.00 C ATOM 368 C VAL A 27 55.159 -9.611 -10.498 1.00 0.00 C ATOM 369 O VAL A 27 55.869 -10.301 -11.232 1.00 0.00 O ATOM 370 CB VAL A 27 55.875 -9.117 -8.150 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.245 -7.985 -7.189 1.00 0.00 C ATOM 372 CG2 VAL A 27 54.530 -9.722 -7.728 1.00 0.00 C ATOM 0 H VAL A 27 54.528 -7.105 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 27 56.775 -8.336 -9.950 1.00 0.00 H new ATOM 0 HB VAL A 27 56.641 -9.892 -8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.315 -8.377 -6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.205 -7.559 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.479 -7.211 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.609 -10.113 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 27 53.759 -8.953 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.265 -10.531 -8.409 1.00 0.00 H new ATOM 382 N TYR A 28 53.842 -9.740 -10.440 1.00 0.00 N ATOM 383 CA TYR A 28 53.145 -10.725 -11.258 1.00 0.00 C ATOM 384 C TYR A 28 53.407 -10.492 -12.745 1.00 0.00 C ATOM 385 O TYR A 28 53.729 -11.429 -13.477 1.00 0.00 O ATOM 386 CB TYR A 28 51.642 -10.656 -10.988 1.00 0.00 C ATOM 387 CG TYR A 28 50.932 -11.660 -11.862 1.00 0.00 C ATOM 388 CD1 TYR A 28 50.746 -12.972 -11.412 1.00 0.00 C ATOM 389 CD2 TYR A 28 50.462 -11.280 -13.126 1.00 0.00 C ATOM 390 CE1 TYR A 28 50.090 -13.904 -12.225 1.00 0.00 C ATOM 391 CE2 TYR A 28 49.807 -12.211 -13.938 1.00 0.00 C ATOM 392 CZ TYR A 28 49.622 -13.524 -13.487 1.00 0.00 C ATOM 393 OH TYR A 28 48.977 -14.442 -14.288 1.00 0.00 O ATOM 0 H TYR A 28 53.237 -9.180 -9.840 1.00 0.00 H new ATOM 0 HA TYR A 28 53.522 -11.712 -10.992 1.00 0.00 H new ATOM 0 HB2 TYR A 28 51.440 -10.864 -9.937 1.00 0.00 H new ATOM 0 HB3 TYR A 28 51.270 -9.652 -11.192 1.00 0.00 H new ATOM 0 HD1 TYR A 28 51.108 -13.265 -10.438 1.00 0.00 H new ATOM 0 HD2 TYR A 28 50.606 -10.268 -13.473 1.00 0.00 H new ATOM 0 HE1 TYR A 28 49.945 -14.916 -11.878 1.00 0.00 H new ATOM 0 HE2 TYR A 28 49.444 -11.918 -14.912 1.00 0.00 H new ATOM 0 HH TYR A 28 48.715 -14.015 -15.130 1.00 0.00 H new ATOM 403 N PHE A 29 53.253 -9.250 -13.190 1.00 0.00 N ATOM 404 CA PHE A 29 53.466 -8.927 -14.598 1.00 0.00 C ATOM 405 C PHE A 29 54.945 -9.008 -14.965 1.00 0.00 C ATOM 406 O PHE A 29 55.325 -9.746 -15.872 1.00 0.00 O ATOM 407 CB PHE A 29 52.941 -7.522 -14.893 1.00 0.00 C ATOM 408 CG PHE A 29 53.120 -7.216 -16.363 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.241 -7.765 -17.304 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.164 -6.383 -16.784 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.406 -7.481 -18.665 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.328 -6.100 -18.145 1.00 0.00 C ATOM 413 CZ PHE A 29 53.449 -6.649 -19.085 1.00 0.00 C ATOM 0 H PHE A 29 52.985 -8.458 -12.606 1.00 0.00 H new ATOM 0 HA PHE A 29 52.923 -9.657 -15.199 1.00 0.00 H new ATOM 0 HB2 PHE A 29 51.888 -7.451 -14.621 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.476 -6.788 -14.290 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.436 -8.408 -16.980 1.00 0.00 H new ATOM 0 HD2 PHE A 29 54.843 -5.959 -16.059 1.00 0.00 H new ATOM 0 HE1 PHE A 29 51.728 -7.905 -19.391 1.00 0.00 H new ATOM 0 HE2 PHE A 29 55.133 -5.458 -18.470 1.00 0.00 H new ATOM 0 HZ PHE A 29 53.576 -6.430 -20.135 1.00 0.00 H new ATOM 567 N GLY B 7 40.313 2.057 16.349 1.00 0.00 N ATOM 568 CA GLY B 7 41.219 1.000 16.783 1.00 0.00 C ATOM 569 C GLY B 7 41.578 0.070 15.628 1.00 0.00 C ATOM 570 O GLY B 7 42.749 -0.060 15.264 1.00 0.00 O ATOM 0 HA2 GLY B 7 42.127 1.442 17.193 1.00 0.00 H new ATOM 0 HA3 GLY B 7 40.754 0.426 17.584 1.00 0.00 H new ATOM 574 N VAL B 8 40.569 -0.571 15.044 1.00 0.00 N ATOM 575 CA VAL B 8 40.810 -1.474 13.928 1.00 0.00 C ATOM 576 C VAL B 8 41.399 -0.701 12.757 1.00 0.00 C ATOM 577 O VAL B 8 42.409 -1.101 12.178 1.00 0.00 O ATOM 578 CB VAL B 8 39.505 -2.154 13.501 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.514 -1.104 12.985 1.00 0.00 C ATOM 580 CG2 VAL B 8 39.801 -3.169 12.391 1.00 0.00 C ATOM 0 H VAL B 8 39.591 -0.483 15.321 1.00 0.00 H new ATOM 0 HA VAL B 8 41.517 -2.242 14.244 1.00 0.00 H new ATOM 0 HB VAL B 8 39.068 -2.666 14.359 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.589 -1.594 12.683 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.302 -0.384 13.776 1.00 0.00 H new ATOM 0 HG13 VAL B 8 38.946 -0.586 12.129 1.00 0.00 H new ATOM 0 HG21 VAL B 8 38.874 -3.654 12.085 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.241 -2.655 11.536 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.499 -3.920 12.761 1.00 0.00 H new ATOM 590 N LEU B 9 40.770 0.421 12.428 1.00 0.00 N ATOM 591 CA LEU B 9 41.246 1.262 11.338 1.00 0.00 C ATOM 592 C LEU B 9 42.738 1.557 11.547 1.00 0.00 C ATOM 593 O LEU B 9 43.551 1.407 10.627 1.00 0.00 O ATOM 594 CB LEU B 9 40.418 2.571 11.302 1.00 0.00 C ATOM 595 CG LEU B 9 39.386 2.565 10.149 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.090 2.439 8.776 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.396 1.405 10.348 1.00 0.00 C ATOM 0 H LEU B 9 39.934 0.768 12.898 1.00 0.00 H new ATOM 0 HA LEU B 9 41.123 0.752 10.383 1.00 0.00 H new ATOM 0 HB2 LEU B 9 39.901 2.700 12.253 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.089 3.422 11.186 1.00 0.00 H new ATOM 0 HG LEU B 9 38.843 3.510 10.163 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.343 2.437 7.983 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.766 3.282 8.635 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.657 1.509 8.742 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.670 1.403 9.535 1.00 0.00 H new ATOM 0 HD22 LEU B 9 38.939 0.460 10.352 1.00 0.00 H new ATOM 0 HD23 LEU B 9 37.876 1.529 11.298 1.00 0.00 H new ATOM 609 N ALA B 10 43.098 1.950 12.768 1.00 0.00 N ATOM 610 CA ALA B 10 44.495 2.229 13.076 1.00 0.00 C ATOM 611 C ALA B 10 45.319 0.976 12.807 1.00 0.00 C ATOM 612 O ALA B 10 46.470 1.036 12.369 1.00 0.00 O ATOM 613 CB ALA B 10 44.641 2.642 14.541 1.00 0.00 C ATOM 0 H ALA B 10 42.452 2.080 13.547 1.00 0.00 H new ATOM 0 HA ALA B 10 44.849 3.047 12.449 1.00 0.00 H new ATOM 0 HB1 ALA B 10 45.689 2.848 14.758 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.049 3.538 14.727 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.289 1.835 15.183 1.00 0.00 H new ATOM 619 N GLY B 11 44.703 -0.167 13.054 1.00 0.00 N ATOM 620 CA GLY B 11 45.372 -1.437 12.819 1.00 0.00 C ATOM 621 C GLY B 11 45.673 -1.600 11.333 1.00 0.00 C ATOM 622 O GLY B 11 46.684 -2.192 10.947 1.00 0.00 O ATOM 0 H GLY B 11 43.751 -0.244 13.413 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.297 -1.482 13.393 1.00 0.00 H new ATOM 0 HA3 GLY B 11 44.743 -2.258 13.163 1.00 0.00 H new ATOM 626 N ILE B 12 44.781 -1.071 10.499 1.00 0.00 N ATOM 627 CA ILE B 12 44.958 -1.167 9.057 1.00 0.00 C ATOM 628 C ILE B 12 46.077 -0.239 8.571 1.00 0.00 C ATOM 629 O ILE B 12 46.792 -0.598 7.646 1.00 0.00 O ATOM 630 CB ILE B 12 43.625 -0.873 8.320 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.725 -2.128 8.309 1.00 0.00 C ATOM 632 CG2 ILE B 12 43.898 -0.465 6.863 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.146 -2.381 9.702 1.00 0.00 C ATOM 0 H ILE B 12 43.939 -0.577 10.794 1.00 0.00 H new ATOM 0 HA ILE B 12 45.256 -2.189 8.822 1.00 0.00 H new ATOM 0 HB ILE B 12 43.125 -0.061 8.848 1.00 0.00 H new ATOM 0 HG12 ILE B 12 41.916 -1.997 7.590 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.302 -2.994 7.985 1.00 0.00 H new ATOM 0 HG21 ILE B 12 42.953 -0.262 6.359 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.518 0.431 6.846 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.417 -1.275 6.349 1.00 0.00 H new ATOM 0 HD11 ILE B 12 41.514 -3.269 9.678 1.00 0.00 H new ATOM 0 HD12 ILE B 12 42.959 -2.534 10.412 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.552 -1.521 10.011 1.00 0.00 H new ATOM 645 N VAL B 13 46.238 0.954 9.162 1.00 0.00 N ATOM 646 CA VAL B 13 47.310 1.843 8.688 1.00 0.00 C ATOM 647 C VAL B 13 48.677 1.259 9.026 1.00 0.00 C ATOM 648 O VAL B 13 49.592 1.294 8.201 1.00 0.00 O ATOM 649 CB VAL B 13 47.177 3.284 9.229 1.00 0.00 C ATOM 650 CG1 VAL B 13 45.695 3.698 9.250 1.00 0.00 C ATOM 651 CG2 VAL B 13 47.787 3.411 10.639 1.00 0.00 C ATOM 0 H VAL B 13 45.672 1.314 9.931 1.00 0.00 H new ATOM 0 HA VAL B 13 47.211 1.909 7.605 1.00 0.00 H new ATOM 0 HB VAL B 13 47.729 3.951 8.566 1.00 0.00 H new ATOM 0 HG11 VAL B 13 45.607 4.715 9.632 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.291 3.654 8.239 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.137 3.019 9.894 1.00 0.00 H new ATOM 0 HG21 VAL B 13 47.678 4.437 10.992 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.271 2.736 11.321 1.00 0.00 H new ATOM 0 HG23 VAL B 13 48.845 3.151 10.603 1.00 0.00 H new ATOM 661 N VAL B 14 48.828 0.692 10.219 1.00 0.00 N ATOM 662 CA VAL B 14 50.112 0.097 10.553 1.00 0.00 C ATOM 663 C VAL B 14 50.357 -1.081 9.613 1.00 0.00 C ATOM 664 O VAL B 14 51.477 -1.300 9.137 1.00 0.00 O ATOM 665 CB VAL B 14 50.143 -0.360 12.013 1.00 0.00 C ATOM 666 CG1 VAL B 14 48.930 -1.236 12.301 1.00 0.00 C ATOM 667 CG2 VAL B 14 51.424 -1.156 12.275 1.00 0.00 C ATOM 0 H VAL B 14 48.110 0.633 10.941 1.00 0.00 H new ATOM 0 HA VAL B 14 50.901 0.839 10.431 1.00 0.00 H new ATOM 0 HB VAL B 14 50.121 0.514 12.665 1.00 0.00 H new ATOM 0 HG11 VAL B 14 48.954 -1.560 13.341 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.019 -0.666 12.120 1.00 0.00 H new ATOM 0 HG13 VAL B 14 48.948 -2.109 11.648 1.00 0.00 H new ATOM 0 HG21 VAL B 14 51.444 -1.481 13.315 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.450 -2.028 11.622 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.291 -0.527 12.074 1.00 0.00 H new ATOM 677 N GLY B 15 49.286 -1.822 9.326 1.00 0.00 N ATOM 678 CA GLY B 15 49.380 -2.960 8.421 1.00 0.00 C ATOM 679 C GLY B 15 49.679 -2.495 7.000 1.00 0.00 C ATOM 680 O GLY B 15 50.298 -3.216 6.226 1.00 0.00 O ATOM 0 H GLY B 15 48.354 -1.654 9.704 1.00 0.00 H new ATOM 0 HA2 GLY B 15 50.164 -3.637 8.760 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.446 -3.521 8.436 1.00 0.00 H new ATOM 684 N ASP B 16 49.234 -1.284 6.668 1.00 0.00 N ATOM 685 CA ASP B 16 49.460 -0.724 5.338 1.00 0.00 C ATOM 686 C ASP B 16 50.949 -0.501 5.128 1.00 0.00 C ATOM 687 O ASP B 16 51.512 -0.896 4.106 1.00 0.00 O ATOM 688 CB ASP B 16 48.699 0.603 5.195 1.00 0.00 C ATOM 689 CG ASP B 16 48.981 1.252 3.844 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.137 1.307 3.462 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.033 1.697 3.217 1.00 0.00 O ATOM 0 H ASP B 16 48.716 -0.674 7.300 1.00 0.00 H new ATOM 0 HA ASP B 16 49.094 -1.420 4.584 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.629 0.426 5.301 1.00 0.00 H new ATOM 0 HB3 ASP B 16 48.991 1.282 5.996 1.00 0.00 H new ATOM 696 N LEU B 17 51.583 0.120 6.113 1.00 0.00 N ATOM 697 CA LEU B 17 53.013 0.376 6.042 1.00 0.00 C ATOM 698 C LEU B 17 53.766 -0.945 5.914 1.00 0.00 C ATOM 699 O LEU B 17 54.711 -1.067 5.129 1.00 0.00 O ATOM 700 CB LEU B 17 53.461 1.119 7.309 1.00 0.00 C ATOM 701 CG LEU B 17 52.911 2.573 7.295 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.473 2.991 8.707 1.00 0.00 C ATOM 703 CD2 LEU B 17 53.996 3.540 6.794 1.00 0.00 C ATOM 0 H LEU B 17 51.132 0.454 6.965 1.00 0.00 H new ATOM 0 HA LEU B 17 53.232 0.992 5.170 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.102 0.594 8.194 1.00 0.00 H new ATOM 0 HB3 LEU B 17 54.549 1.134 7.366 1.00 0.00 H new ATOM 0 HG LEU B 17 52.051 2.611 6.626 1.00 0.00 H new ATOM 0 HD11 LEU B 17 52.090 4.011 8.682 1.00 0.00 H new ATOM 0 HD12 LEU B 17 51.691 2.318 9.059 1.00 0.00 H new ATOM 0 HD13 LEU B 17 53.327 2.940 9.383 1.00 0.00 H new ATOM 0 HD21 LEU B 17 53.602 4.556 6.787 1.00 0.00 H new ATOM 0 HD22 LEU B 17 54.861 3.490 7.455 1.00 0.00 H new ATOM 0 HD23 LEU B 17 54.295 3.260 5.784 1.00 0.00 H new ATOM 715 N VAL B 18 53.329 -1.936 6.689 1.00 0.00 N ATOM 716 CA VAL B 18 53.957 -3.256 6.661 1.00 0.00 C ATOM 717 C VAL B 18 53.683 -3.971 5.335 1.00 0.00 C ATOM 718 O VAL B 18 54.440 -4.853 4.932 1.00 0.00 O ATOM 719 CB VAL B 18 53.430 -4.103 7.821 1.00 0.00 C ATOM 720 CG1 VAL B 18 54.027 -5.509 7.744 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.833 -3.452 9.146 1.00 0.00 C ATOM 0 H VAL B 18 52.548 -1.852 7.340 1.00 0.00 H new ATOM 0 HA VAL B 18 55.034 -3.123 6.761 1.00 0.00 H new ATOM 0 HB VAL B 18 52.344 -4.168 7.759 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.650 -6.110 8.571 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.744 -5.973 6.799 1.00 0.00 H new ATOM 0 HG13 VAL B 18 55.113 -5.447 7.806 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.459 -4.053 9.975 1.00 0.00 H new ATOM 0 HG22 VAL B 18 54.920 -3.389 9.205 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.408 -2.450 9.203 1.00 0.00 H new ATOM 731 N LEU B 19 52.595 -3.597 4.669 1.00 0.00 N ATOM 732 CA LEU B 19 52.229 -4.217 3.397 1.00 0.00 C ATOM 733 C LEU B 19 53.185 -3.765 2.295 1.00 0.00 C ATOM 734 O LEU B 19 53.790 -4.586 1.600 1.00 0.00 O ATOM 735 CB LEU B 19 50.781 -3.819 3.047 1.00 0.00 C ATOM 736 CG LEU B 19 50.116 -4.873 2.151 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.620 -4.570 2.034 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.746 -4.845 0.758 1.00 0.00 C ATOM 0 H LEU B 19 51.953 -2.871 4.986 1.00 0.00 H new ATOM 0 HA LEU B 19 52.299 -5.301 3.484 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.203 -3.700 3.963 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.779 -2.854 2.541 1.00 0.00 H new ATOM 0 HG LEU B 19 50.260 -5.859 2.592 1.00 0.00 H new ATOM 0 HD11 LEU B 19 48.146 -5.318 1.398 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.165 -4.595 3.024 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.482 -3.581 1.596 1.00 0.00 H new ATOM 0 HD21 LEU B 19 50.269 -5.596 0.128 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.607 -3.859 0.316 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.812 -5.061 0.836 1.00 0.00 H new ATOM 750 N THR B 20 53.321 -2.452 2.153 1.00 0.00 N ATOM 751 CA THR B 20 54.205 -1.891 1.141 1.00 0.00 C ATOM 752 C THR B 20 55.633 -2.361 1.360 1.00 0.00 C ATOM 753 O THR B 20 56.317 -2.764 0.419 1.00 0.00 O ATOM 754 CB THR B 20 54.169 -0.364 1.201 1.00 0.00 C ATOM 755 OG1 THR B 20 52.821 0.076 1.260 1.00 0.00 O ATOM 756 CG2 THR B 20 54.842 0.214 -0.046 1.00 0.00 C ATOM 0 H THR B 20 52.833 -1.760 2.722 1.00 0.00 H new ATOM 0 HA THR B 20 53.861 -2.230 0.164 1.00 0.00 H new ATOM 0 HB THR B 20 54.701 -0.024 2.089 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.794 1.055 1.220 1.00 0.00 H new ATOM 0 HG21 THR B 20 54.816 1.303 -0.002 1.00 0.00 H new ATOM 0 HG22 THR B 20 55.878 -0.122 -0.089 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.312 -0.126 -0.936 1.00 0.00 H new ATOM 764 N VAL B 21 56.084 -2.293 2.606 1.00 0.00 N ATOM 765 CA VAL B 21 57.442 -2.701 2.932 1.00 0.00 C ATOM 766 C VAL B 21 57.646 -4.198 2.725 1.00 0.00 C ATOM 767 O VAL B 21 58.669 -4.615 2.200 1.00 0.00 O ATOM 768 CB VAL B 21 57.760 -2.341 4.386 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.162 -2.837 4.745 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.698 -0.821 4.564 1.00 0.00 C ATOM 0 H VAL B 21 55.535 -1.963 3.399 1.00 0.00 H new ATOM 0 HA VAL B 21 58.116 -2.170 2.260 1.00 0.00 H new ATOM 0 HB VAL B 21 57.029 -2.815 5.041 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.385 -2.579 5.780 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.208 -3.919 4.623 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.894 -2.367 4.088 1.00 0.00 H new ATOM 0 HG21 VAL B 21 57.925 -0.566 5.599 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.427 -0.348 3.906 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.698 -0.466 4.313 1.00 0.00 H new ATOM 780 N LEU B 22 56.685 -5.001 3.165 1.00 0.00 N ATOM 781 CA LEU B 22 56.797 -6.456 3.049 1.00 0.00 C ATOM 782 C LEU B 22 56.984 -6.909 1.597 1.00 0.00 C ATOM 783 O LEU B 22 57.953 -7.605 1.280 1.00 0.00 O ATOM 784 CB LEU B 22 55.541 -7.113 3.646 1.00 0.00 C ATOM 785 CG LEU B 22 55.542 -8.628 3.390 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.859 -9.243 3.880 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.372 -9.262 4.149 1.00 0.00 C ATOM 0 H LEU B 22 55.823 -4.676 3.603 1.00 0.00 H new ATOM 0 HA LEU B 22 57.684 -6.768 3.601 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.500 -6.921 4.718 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.649 -6.666 3.208 1.00 0.00 H new ATOM 0 HG LEU B 22 55.439 -8.815 2.321 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.850 -10.317 3.694 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.694 -8.789 3.346 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.970 -9.061 4.949 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.365 -10.338 3.973 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.483 -9.069 5.216 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.434 -8.831 3.798 1.00 0.00 H new ATOM 799 N ILE B 23 56.059 -6.536 0.718 1.00 0.00 N ATOM 800 CA ILE B 23 56.161 -6.950 -0.677 1.00 0.00 C ATOM 801 C ILE B 23 57.393 -6.312 -1.322 1.00 0.00 C ATOM 802 O ILE B 23 58.129 -6.974 -2.059 1.00 0.00 O ATOM 803 CB ILE B 23 54.874 -6.587 -1.431 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.673 -7.097 -0.623 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.870 -7.272 -2.806 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.368 -6.713 -1.325 1.00 0.00 C ATOM 0 H ILE B 23 55.247 -5.960 0.940 1.00 0.00 H new ATOM 0 HA ILE B 23 56.280 -8.032 -0.727 1.00 0.00 H new ATOM 0 HB ILE B 23 54.817 -5.506 -1.562 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.731 -8.180 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.694 -6.673 0.381 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.955 -7.013 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.733 -6.937 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.919 -8.353 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.521 -7.079 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.307 -5.628 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.345 -7.158 -2.320 1.00 0.00 H new ATOM 818 N ALA B 24 57.634 -5.036 -1.021 1.00 0.00 N ATOM 819 CA ALA B 24 58.804 -4.353 -1.562 1.00 0.00 C ATOM 820 C ALA B 24 60.070 -5.118 -1.172 1.00 0.00 C ATOM 821 O ALA B 24 61.064 -5.133 -1.906 1.00 0.00 O ATOM 822 CB ALA B 24 58.879 -2.927 -1.015 1.00 0.00 C ATOM 0 H ALA B 24 57.045 -4.464 -0.416 1.00 0.00 H new ATOM 0 HA ALA B 24 58.722 -4.314 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.756 -2.426 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.981 -2.380 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.954 -2.958 0.072 1.00 0.00 H new ATOM 828 N LEU B 25 60.022 -5.758 -0.007 1.00 0.00 N ATOM 829 CA LEU B 25 61.158 -6.529 0.478 1.00 0.00 C ATOM 830 C LEU B 25 61.319 -7.782 -0.375 1.00 0.00 C ATOM 831 O LEU B 25 62.428 -8.149 -0.754 1.00 0.00 O ATOM 832 CB LEU B 25 60.944 -6.919 1.959 1.00 0.00 C ATOM 833 CG LEU B 25 62.288 -7.038 2.709 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.252 -7.942 1.932 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.920 -5.644 2.909 1.00 0.00 C ATOM 0 H LEU B 25 59.213 -5.757 0.614 1.00 0.00 H new ATOM 0 HA LEU B 25 62.062 -5.924 0.406 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.318 -6.172 2.447 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.410 -7.867 2.014 1.00 0.00 H new ATOM 0 HG LEU B 25 62.098 -7.480 3.687 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.196 -8.017 2.472 1.00 0.00 H new ATOM 0 HD12 LEU B 25 62.814 -8.935 1.826 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.432 -7.518 0.944 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.867 -5.746 3.439 1.00 0.00 H new ATOM 0 HD22 LEU B 25 63.096 -5.182 1.938 1.00 0.00 H new ATOM 0 HD23 LEU B 25 62.244 -5.018 3.491 1.00 0.00 H new ATOM 847 N ALA B 26 60.197 -8.436 -0.666 1.00 0.00 N ATOM 848 CA ALA B 26 60.221 -9.650 -1.472 1.00 0.00 C ATOM 849 C ALA B 26 60.938 -9.402 -2.795 1.00 0.00 C ATOM 850 O ALA B 26 61.877 -10.122 -3.147 1.00 0.00 O ATOM 851 CB ALA B 26 58.795 -10.128 -1.744 1.00 0.00 C ATOM 0 H ALA B 26 59.268 -8.148 -0.358 1.00 0.00 H new ATOM 0 HA ALA B 26 60.760 -10.418 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.824 -11.036 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA B 26 58.295 -10.337 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA B 26 58.248 -9.353 -2.281 1.00 0.00 H new ATOM 857 N VAL B 27 60.499 -8.382 -3.529 1.00 0.00 N ATOM 858 CA VAL B 27 61.123 -8.070 -4.811 1.00 0.00 C ATOM 859 C VAL B 27 62.603 -7.748 -4.627 1.00 0.00 C ATOM 860 O VAL B 27 63.443 -8.181 -5.416 1.00 0.00 O ATOM 861 CB VAL B 27 60.417 -6.885 -5.473 1.00 0.00 C ATOM 862 CG1 VAL B 27 59.009 -7.305 -5.888 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.315 -5.731 -4.482 1.00 0.00 C ATOM 0 H VAL B 27 59.728 -7.768 -3.264 1.00 0.00 H new ATOM 0 HA VAL B 27 61.031 -8.946 -5.454 1.00 0.00 H new ATOM 0 HB VAL B 27 60.986 -6.569 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.503 -6.463 -6.360 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.070 -8.134 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.448 -7.618 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.812 -4.888 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.745 -6.050 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.315 -5.429 -4.171 1.00 0.00 H new ATOM 873 N TYR B 28 62.922 -6.987 -3.583 1.00 0.00 N ATOM 874 CA TYR B 28 64.310 -6.625 -3.322 1.00 0.00 C ATOM 875 C TYR B 28 65.161 -7.878 -3.130 1.00 0.00 C ATOM 876 O TYR B 28 66.293 -7.953 -3.611 1.00 0.00 O ATOM 877 CB TYR B 28 64.393 -5.749 -2.072 1.00 0.00 C ATOM 878 CG TYR B 28 65.811 -5.265 -1.888 1.00 0.00 C ATOM 879 CD1 TYR B 28 66.723 -6.033 -1.155 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.214 -4.046 -2.448 1.00 0.00 C ATOM 881 CE1 TYR B 28 68.038 -5.584 -0.983 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.529 -3.598 -2.277 1.00 0.00 C ATOM 883 CZ TYR B 28 68.441 -4.366 -1.544 1.00 0.00 C ATOM 884 OH TYR B 28 69.737 -3.924 -1.375 1.00 0.00 O ATOM 0 H TYR B 28 62.249 -6.614 -2.914 1.00 0.00 H new ATOM 0 HA TYR B 28 64.691 -6.069 -4.179 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.717 -4.899 -2.165 1.00 0.00 H new ATOM 0 HB3 TYR B 28 64.074 -6.315 -1.197 1.00 0.00 H new ATOM 0 HD1 TYR B 28 66.412 -6.972 -0.722 1.00 0.00 H new ATOM 0 HD2 TYR B 28 65.510 -3.452 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR B 28 68.742 -6.177 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR B 28 67.840 -2.659 -2.711 1.00 0.00 H new ATOM 0 HH TYR B 28 69.851 -3.063 -1.829 1.00 0.00 H new ATOM 894 N PHE B 29 64.607 -8.856 -2.422 1.00 0.00 N ATOM 895 CA PHE B 29 65.314 -10.104 -2.161 1.00 0.00 C ATOM 896 C PHE B 29 65.613 -10.848 -3.459 1.00 0.00 C ATOM 897 O PHE B 29 66.716 -11.359 -3.649 1.00 0.00 O ATOM 898 CB PHE B 29 64.473 -10.996 -1.246 1.00 0.00 C ATOM 899 CG PHE B 29 65.267 -12.230 -0.881 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.275 -12.151 0.087 1.00 0.00 C ATOM 901 CD2 PHE B 29 64.995 -13.451 -1.512 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.012 -13.293 0.424 1.00 0.00 C ATOM 903 CE2 PHE B 29 65.733 -14.592 -1.174 1.00 0.00 C ATOM 904 CZ PHE B 29 66.741 -14.513 -0.206 1.00 0.00 C ATOM 0 H PHE B 29 63.671 -8.809 -2.019 1.00 0.00 H new ATOM 0 HA PHE B 29 66.259 -9.862 -1.675 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.193 -10.450 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.548 -11.280 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.484 -11.210 0.574 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.217 -13.512 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE B 29 67.790 -13.232 1.171 1.00 0.00 H new ATOM 0 HE2 PHE B 29 65.524 -15.533 -1.660 1.00 0.00 H new ATOM 0 HZ PHE B 29 67.310 -15.393 0.055 1.00 0.00 H new