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 72:sc= -0.108 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 170:sc= -3.21! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLY A 7 37.105 9.022 8.228 1.00 0.00 N ATOM 77 CA GLY A 7 37.085 9.285 6.795 1.00 0.00 C ATOM 78 C GLY A 7 38.466 9.077 6.182 1.00 0.00 C ATOM 79 O GLY A 7 38.631 8.276 5.261 1.00 0.00 O ATOM 0 HA2 GLY A 7 36.365 8.625 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.753 10.307 6.614 1.00 0.00 H new ATOM 83 N VAL A 8 39.458 9.791 6.703 1.00 0.00 N ATOM 84 CA VAL A 8 40.815 9.656 6.193 1.00 0.00 C ATOM 85 C VAL A 8 41.337 8.248 6.469 1.00 0.00 C ATOM 86 O VAL A 8 41.962 7.631 5.609 1.00 0.00 O ATOM 87 CB VAL A 8 41.733 10.707 6.832 1.00 0.00 C ATOM 88 CG1 VAL A 8 41.699 10.583 8.360 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.166 10.497 6.328 1.00 0.00 C ATOM 0 H VAL A 8 39.350 10.459 7.466 1.00 0.00 H new ATOM 0 HA VAL A 8 40.806 9.821 5.116 1.00 0.00 H new ATOM 0 HB VAL A 8 41.386 11.703 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 8 42.354 11.334 8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 8 40.680 10.737 8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.038 9.589 8.652 1.00 0.00 H new ATOM 0 HG21 VAL A 8 43.823 11.241 6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 8 43.506 9.499 6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.189 10.602 5.243 1.00 0.00 H new ATOM 99 N LEU A 9 41.055 7.736 7.667 1.00 0.00 N ATOM 100 CA LEU A 9 41.479 6.388 8.035 1.00 0.00 C ATOM 101 C LEU A 9 40.877 5.374 7.052 1.00 0.00 C ATOM 102 O LEU A 9 41.585 4.526 6.499 1.00 0.00 O ATOM 103 CB LEU A 9 41.013 6.081 9.480 1.00 0.00 C ATOM 104 CG LEU A 9 42.149 6.290 10.508 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.341 5.350 10.217 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.613 7.750 10.472 1.00 0.00 C ATOM 0 H LEU A 9 40.538 8.231 8.394 1.00 0.00 H new ATOM 0 HA LEU A 9 42.566 6.317 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.170 6.724 9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.657 5.052 9.536 1.00 0.00 H new ATOM 0 HG LEU A 9 41.765 6.053 11.500 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.125 5.518 10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 9 43.008 4.313 10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.731 5.555 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.414 7.895 11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 9 42.979 7.991 9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 9 41.777 8.404 10.719 1.00 0.00 H new ATOM 118 N ALA A 10 39.568 5.482 6.824 1.00 0.00 N ATOM 119 CA ALA A 10 38.897 4.585 5.893 1.00 0.00 C ATOM 120 C ALA A 10 39.601 4.661 4.543 1.00 0.00 C ATOM 121 O ALA A 10 39.764 3.664 3.828 1.00 0.00 O ATOM 122 CB ALA A 10 37.434 5.000 5.734 1.00 0.00 C ATOM 0 H ALA A 10 38.961 6.173 7.266 1.00 0.00 H new ATOM 0 HA ALA A 10 38.934 3.565 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 10 36.938 4.325 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 10 36.935 4.952 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.385 6.019 5.350 1.00 0.00 H new ATOM 128 N GLY A 11 40.033 5.867 4.215 1.00 0.00 N ATOM 129 CA GLY A 11 40.734 6.106 2.964 1.00 0.00 C ATOM 130 C GLY A 11 42.041 5.329 2.931 1.00 0.00 C ATOM 131 O GLY A 11 42.440 4.811 1.887 1.00 0.00 O ATOM 0 H GLY A 11 39.911 6.696 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.105 5.808 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 11 40.934 7.171 2.850 1.00 0.00 H new ATOM 135 N ILE A 12 42.707 5.252 4.080 1.00 0.00 N ATOM 136 CA ILE A 12 43.968 4.532 4.155 1.00 0.00 C ATOM 137 C ILE A 12 43.756 3.048 3.882 1.00 0.00 C ATOM 138 O ILE A 12 44.531 2.447 3.146 1.00 0.00 O ATOM 139 CB ILE A 12 44.630 4.724 5.529 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.033 6.204 5.722 1.00 0.00 C ATOM 141 CG2 ILE A 12 45.870 3.817 5.644 1.00 0.00 C ATOM 142 CD1 ILE A 12 46.013 6.671 4.631 1.00 0.00 C ATOM 0 H ILE A 12 42.399 5.673 4.957 1.00 0.00 H new ATOM 0 HA ILE A 12 44.631 4.939 3.392 1.00 0.00 H new ATOM 0 HB ILE A 12 43.918 4.451 6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.141 6.830 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.491 6.332 6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.335 3.958 6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.570 2.775 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.584 4.076 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 12 46.274 7.716 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 12 46.916 6.061 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.544 6.567 3.652 1.00 0.00 H new ATOM 154 N VAL A 13 42.710 2.449 4.456 1.00 0.00 N ATOM 155 CA VAL A 13 42.475 1.024 4.200 1.00 0.00 C ATOM 156 C VAL A 13 42.332 0.818 2.693 1.00 0.00 C ATOM 157 O VAL A 13 42.933 -0.097 2.114 1.00 0.00 O ATOM 158 CB VAL A 13 41.243 0.465 4.979 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.957 1.327 6.209 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.980 0.423 4.104 1.00 0.00 C ATOM 0 H VAL A 13 42.038 2.903 5.075 1.00 0.00 H new ATOM 0 HA VAL A 13 43.330 0.458 4.570 1.00 0.00 H new ATOM 0 HB VAL A 13 41.493 -0.553 5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 13 40.095 0.925 6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.826 1.322 6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.745 2.349 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.147 0.028 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.739 1.430 3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.157 -0.219 3.241 1.00 0.00 H new ATOM 170 N VAL A 14 41.565 1.698 2.048 1.00 0.00 N ATOM 171 CA VAL A 14 41.408 1.597 0.605 1.00 0.00 C ATOM 172 C VAL A 14 42.795 1.607 -0.028 1.00 0.00 C ATOM 173 O VAL A 14 43.077 0.860 -0.968 1.00 0.00 O ATOM 174 CB VAL A 14 40.577 2.765 0.065 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.450 2.634 -1.455 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.180 2.733 0.692 1.00 0.00 C ATOM 0 H VAL A 14 41.058 2.465 2.489 1.00 0.00 H new ATOM 0 HA VAL A 14 40.885 0.673 0.358 1.00 0.00 H new ATOM 0 HB VAL A 14 41.067 3.706 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 14 39.859 3.463 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.442 2.653 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.958 1.692 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.589 3.564 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.690 1.793 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.265 2.819 1.775 1.00 0.00 H new ATOM 186 N GLY A 15 43.667 2.448 0.524 1.00 0.00 N ATOM 187 CA GLY A 15 45.037 2.548 0.039 1.00 0.00 C ATOM 188 C GLY A 15 45.775 1.226 0.235 1.00 0.00 C ATOM 189 O GLY A 15 46.603 0.843 -0.586 1.00 0.00 O ATOM 0 H GLY A 15 43.448 3.067 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.036 2.817 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.559 3.344 0.570 1.00 0.00 H new ATOM 193 N ASP A 16 45.465 0.527 1.327 1.00 0.00 N ATOM 194 CA ASP A 16 46.105 -0.753 1.606 1.00 0.00 C ATOM 195 C ASP A 16 45.858 -1.711 0.453 1.00 0.00 C ATOM 196 O ASP A 16 46.786 -2.333 -0.070 1.00 0.00 O ATOM 197 CB ASP A 16 45.547 -1.355 2.899 1.00 0.00 C ATOM 198 CG ASP A 16 46.396 -2.547 3.327 1.00 0.00 C ATOM 199 OD1 ASP A 16 46.255 -3.598 2.724 1.00 0.00 O ATOM 200 OD2 ASP A 16 47.172 -2.392 4.256 1.00 0.00 O ATOM 0 H ASP A 16 44.782 0.823 2.024 1.00 0.00 H new ATOM 0 HA ASP A 16 47.177 -0.591 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.539 -0.602 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.514 -1.669 2.748 1.00 0.00 H new ATOM 205 N LEU A 17 44.596 -1.817 0.050 1.00 0.00 N ATOM 206 CA LEU A 17 44.245 -2.699 -1.056 1.00 0.00 C ATOM 207 C LEU A 17 44.970 -2.250 -2.326 1.00 0.00 C ATOM 208 O LEU A 17 45.438 -3.077 -3.114 1.00 0.00 O ATOM 209 CB LEU A 17 42.724 -2.684 -1.282 1.00 0.00 C ATOM 210 CG LEU A 17 42.040 -3.639 -0.295 1.00 0.00 C ATOM 211 CD1 LEU A 17 42.321 -3.187 1.139 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.530 -3.631 -0.543 1.00 0.00 C ATOM 0 H LEU A 17 43.812 -1.313 0.464 1.00 0.00 H new ATOM 0 HA LEU A 17 44.552 -3.716 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.338 -1.673 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.497 -2.981 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 17 42.430 -4.647 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.834 -3.868 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.396 -3.192 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.934 -2.179 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 17 40.043 -4.309 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.143 -2.622 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.327 -3.956 -1.563 1.00 0.00 H new ATOM 224 N VAL A 18 45.063 -0.937 -2.512 1.00 0.00 N ATOM 225 CA VAL A 18 45.735 -0.386 -3.686 1.00 0.00 C ATOM 226 C VAL A 18 47.207 -0.793 -3.715 1.00 0.00 C ATOM 227 O VAL A 18 47.751 -1.080 -4.776 1.00 0.00 O ATOM 228 CB VAL A 18 45.616 1.142 -3.688 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.464 1.726 -4.821 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.151 1.535 -3.896 1.00 0.00 C ATOM 0 H VAL A 18 44.685 -0.239 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 18 45.251 -0.787 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 18 45.971 1.533 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.376 2.812 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.507 1.446 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.113 1.336 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.062 2.621 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.800 1.141 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.546 1.123 -3.089 1.00 0.00 H new ATOM 240 N LEU A 19 47.852 -0.810 -2.551 1.00 0.00 N ATOM 241 CA LEU A 19 49.261 -1.181 -2.475 1.00 0.00 C ATOM 242 C LEU A 19 49.447 -2.654 -2.813 1.00 0.00 C ATOM 243 O LEU A 19 50.412 -3.030 -3.473 1.00 0.00 O ATOM 244 CB LEU A 19 49.795 -0.911 -1.066 1.00 0.00 C ATOM 245 CG LEU A 19 49.828 0.601 -0.801 1.00 0.00 C ATOM 246 CD1 LEU A 19 50.018 0.844 0.696 1.00 0.00 C ATOM 247 CD2 LEU A 19 50.978 1.268 -1.583 1.00 0.00 C ATOM 0 H LEU A 19 47.425 -0.573 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 19 49.814 -0.581 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 19 49.164 -1.405 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.796 -1.330 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 19 48.886 1.038 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.042 1.916 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.191 0.394 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.956 0.395 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 19 50.983 2.339 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 19 51.929 0.836 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 19 50.837 1.101 -2.651 1.00 0.00 H new ATOM 259 N THR A 20 48.525 -3.488 -2.350 1.00 0.00 N ATOM 260 CA THR A 20 48.620 -4.918 -2.610 1.00 0.00 C ATOM 261 C THR A 20 48.564 -5.211 -4.104 1.00 0.00 C ATOM 262 O THR A 20 49.420 -5.916 -4.641 1.00 0.00 O ATOM 263 CB THR A 20 47.478 -5.651 -1.899 1.00 0.00 C ATOM 264 OG1 THR A 20 47.580 -5.439 -0.497 1.00 0.00 O ATOM 265 CG2 THR A 20 47.565 -7.149 -2.197 1.00 0.00 C ATOM 0 H THR A 20 47.714 -3.205 -1.800 1.00 0.00 H new ATOM 0 HA THR A 20 49.578 -5.270 -2.228 1.00 0.00 H new ATOM 0 HB THR A 20 46.523 -5.267 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 20 47.338 -4.513 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.752 -7.669 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.485 -7.311 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.520 -7.536 -1.841 1.00 0.00 H new ATOM 273 N VAL A 21 47.551 -4.677 -4.769 1.00 0.00 N ATOM 274 CA VAL A 21 47.388 -4.902 -6.199 1.00 0.00 C ATOM 275 C VAL A 21 48.420 -4.128 -7.015 1.00 0.00 C ATOM 276 O VAL A 21 48.792 -4.549 -8.107 1.00 0.00 O ATOM 277 CB VAL A 21 45.982 -4.487 -6.626 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.752 -4.888 -8.084 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.955 -5.187 -5.734 1.00 0.00 C ATOM 0 H VAL A 21 46.833 -4.089 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 21 47.539 -5.965 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 21 45.874 -3.407 -6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.748 -4.592 -8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.486 -4.390 -8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.858 -5.968 -8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.950 -4.893 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 21 45.062 -6.267 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 21 45.120 -4.901 -4.695 1.00 0.00 H new ATOM 289 N LEU A 22 48.861 -2.989 -6.496 1.00 0.00 N ATOM 290 CA LEU A 22 49.830 -2.162 -7.210 1.00 0.00 C ATOM 291 C LEU A 22 51.218 -2.797 -7.203 1.00 0.00 C ATOM 292 O LEU A 22 51.835 -2.952 -8.256 1.00 0.00 O ATOM 293 CB LEU A 22 49.884 -0.766 -6.576 1.00 0.00 C ATOM 294 CG LEU A 22 50.931 0.114 -7.281 1.00 0.00 C ATOM 295 CD1 LEU A 22 50.619 0.216 -8.783 1.00 0.00 C ATOM 296 CD2 LEU A 22 50.904 1.513 -6.656 1.00 0.00 C ATOM 0 H LEU A 22 48.568 -2.618 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 22 49.508 -2.079 -8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 22 48.903 -0.294 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.128 -0.852 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 22 51.918 -0.332 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 22 51.368 0.842 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 22 50.635 -0.780 -9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 22 49.632 0.658 -8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.643 2.146 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 22 49.912 1.948 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.138 1.442 -5.594 1.00 0.00 H new ATOM 308 N ILE A 23 51.715 -3.159 -6.024 1.00 0.00 N ATOM 309 CA ILE A 23 53.038 -3.766 -5.934 1.00 0.00 C ATOM 310 C ILE A 23 53.019 -5.156 -6.558 1.00 0.00 C ATOM 311 O ILE A 23 53.977 -5.556 -7.210 1.00 0.00 O ATOM 312 CB ILE A 23 53.513 -3.882 -4.479 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.355 -2.528 -3.744 1.00 0.00 C ATOM 314 CG2 ILE A 23 54.989 -4.335 -4.470 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.546 -1.602 -4.014 1.00 0.00 C ATOM 0 H ILE A 23 51.232 -3.045 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 23 53.729 -3.119 -6.474 1.00 0.00 H new ATOM 0 HB ILE A 23 52.903 -4.618 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.434 -2.042 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.264 -2.703 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.337 -4.421 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 23 55.076 -5.303 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.598 -3.602 -4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.403 -0.661 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.463 -2.078 -3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.620 -1.407 -5.084 1.00 0.00 H new ATOM 327 N ALA A 24 51.933 -5.897 -6.339 1.00 0.00 N ATOM 328 CA ALA A 24 51.830 -7.247 -6.880 1.00 0.00 C ATOM 329 C ALA A 24 51.712 -7.226 -8.403 1.00 0.00 C ATOM 330 O ALA A 24 52.339 -8.029 -9.091 1.00 0.00 O ATOM 331 CB ALA A 24 50.615 -7.959 -6.282 1.00 0.00 C ATOM 0 H ALA A 24 51.125 -5.589 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 24 52.739 -7.786 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 24 50.546 -8.967 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 50.722 -8.014 -5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.710 -7.404 -6.529 1.00 0.00 H new ATOM 337 N LEU A 25 50.905 -6.311 -8.925 1.00 0.00 N ATOM 338 CA LEU A 25 50.724 -6.212 -10.369 1.00 0.00 C ATOM 339 C LEU A 25 51.990 -5.671 -11.026 1.00 0.00 C ATOM 340 O LEU A 25 52.351 -6.072 -12.132 1.00 0.00 O ATOM 341 CB LEU A 25 49.537 -5.291 -10.682 1.00 0.00 C ATOM 342 CG LEU A 25 49.353 -5.135 -12.200 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.175 -6.509 -12.864 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.111 -4.274 -12.461 1.00 0.00 C ATOM 0 H LEU A 25 50.371 -5.635 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 25 50.522 -7.206 -10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.628 -5.699 -10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.700 -4.313 -10.228 1.00 0.00 H new ATOM 0 HG LEU A 25 50.237 -4.658 -12.623 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.046 -6.380 -13.939 1.00 0.00 H new ATOM 0 HD12 LEU A 25 50.057 -7.121 -12.675 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.296 -7.002 -12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 25 47.969 -4.156 -13.535 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.235 -4.759 -12.031 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.245 -3.294 -12.003 1.00 0.00 H new ATOM 356 N ALA A 26 52.644 -4.742 -10.339 1.00 0.00 N ATOM 357 CA ALA A 26 53.856 -4.123 -10.858 1.00 0.00 C ATOM 358 C ALA A 26 55.033 -5.097 -10.865 1.00 0.00 C ATOM 359 O ALA A 26 55.731 -5.217 -11.872 1.00 0.00 O ATOM 360 CB ALA A 26 54.215 -2.901 -10.011 1.00 0.00 C ATOM 0 H ALA A 26 52.355 -4.401 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 26 53.659 -3.823 -11.887 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.122 -2.441 -10.402 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.398 -2.180 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.381 -3.210 -8.979 1.00 0.00 H new ATOM 366 N VAL A 27 55.271 -5.773 -9.743 1.00 0.00 N ATOM 367 CA VAL A 27 56.391 -6.702 -9.664 1.00 0.00 C ATOM 368 C VAL A 27 56.160 -7.930 -10.539 1.00 0.00 C ATOM 369 O VAL A 27 57.077 -8.398 -11.215 1.00 0.00 O ATOM 370 CB VAL A 27 56.604 -7.123 -8.208 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.875 -5.870 -7.356 1.00 0.00 C ATOM 372 CG2 VAL A 27 55.350 -7.869 -7.687 1.00 0.00 C ATOM 0 H VAL A 27 54.714 -5.696 -8.892 1.00 0.00 H new ATOM 0 HA VAL A 27 57.283 -6.196 -10.034 1.00 0.00 H new ATOM 0 HB VAL A 27 57.459 -7.796 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 27 57.028 -6.162 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.767 -5.365 -7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.022 -5.194 -7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.508 -8.166 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 27 54.483 -7.211 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.175 -8.756 -8.296 1.00 0.00 H new ATOM 382 N TYR A 28 54.939 -8.452 -10.524 1.00 0.00 N ATOM 383 CA TYR A 28 54.624 -9.630 -11.324 1.00 0.00 C ATOM 384 C TYR A 28 54.745 -9.320 -12.812 1.00 0.00 C ATOM 385 O TYR A 28 55.328 -10.095 -13.572 1.00 0.00 O ATOM 386 CB TYR A 28 53.206 -10.112 -11.019 1.00 0.00 C ATOM 387 CG TYR A 28 52.930 -11.368 -11.811 1.00 0.00 C ATOM 388 CD1 TYR A 28 53.341 -12.612 -11.316 1.00 0.00 C ATOM 389 CD2 TYR A 28 52.268 -11.289 -13.042 1.00 0.00 C ATOM 390 CE1 TYR A 28 53.090 -13.776 -12.051 1.00 0.00 C ATOM 391 CE2 TYR A 28 52.018 -12.454 -13.778 1.00 0.00 C ATOM 392 CZ TYR A 28 52.428 -13.697 -13.282 1.00 0.00 C ATOM 393 OH TYR A 28 52.184 -14.844 -14.008 1.00 0.00 O ATOM 0 H TYR A 28 54.161 -8.085 -9.976 1.00 0.00 H new ATOM 0 HA TYR A 28 55.337 -10.414 -11.067 1.00 0.00 H new ATOM 0 HB2 TYR A 28 53.097 -10.308 -9.952 1.00 0.00 H new ATOM 0 HB3 TYR A 28 52.482 -9.339 -11.276 1.00 0.00 H new ATOM 0 HD1 TYR A 28 53.852 -12.673 -10.366 1.00 0.00 H new ATOM 0 HD2 TYR A 28 51.950 -10.330 -13.424 1.00 0.00 H new ATOM 0 HE1 TYR A 28 53.407 -14.735 -11.669 1.00 0.00 H new ATOM 0 HE2 TYR A 28 51.509 -12.393 -14.728 1.00 0.00 H new ATOM 0 HH TYR A 28 51.715 -14.613 -14.837 1.00 0.00 H new ATOM 403 N PHE A 29 54.182 -8.190 -13.224 1.00 0.00 N ATOM 404 CA PHE A 29 54.223 -7.791 -14.627 1.00 0.00 C ATOM 405 C PHE A 29 55.661 -7.593 -15.098 1.00 0.00 C ATOM 406 O PHE A 29 56.066 -8.139 -16.123 1.00 0.00 O ATOM 407 CB PHE A 29 53.440 -6.493 -14.821 1.00 0.00 C ATOM 408 CG PHE A 29 53.506 -6.076 -16.270 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.679 -6.696 -17.215 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.393 -5.069 -16.670 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.739 -6.310 -18.558 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.452 -4.683 -18.015 1.00 0.00 C ATOM 413 CZ PHE A 29 53.626 -5.303 -18.959 1.00 0.00 C ATOM 0 H PHE A 29 53.694 -7.537 -12.611 1.00 0.00 H new ATOM 0 HA PHE A 29 53.770 -8.586 -15.220 1.00 0.00 H new ATOM 0 HB2 PHE A 29 52.402 -6.634 -14.519 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.853 -5.709 -14.187 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.995 -7.472 -16.907 1.00 0.00 H new ATOM 0 HD2 PHE A 29 55.031 -4.590 -15.942 1.00 0.00 H new ATOM 0 HE1 PHE A 29 52.101 -6.789 -19.286 1.00 0.00 H new ATOM 0 HE2 PHE A 29 55.136 -3.906 -18.324 1.00 0.00 H new ATOM 0 HZ PHE A 29 53.672 -5.005 -19.996 1.00 0.00 H new ATOM 567 N GLY B 7 40.911 2.398 17.073 1.00 0.00 N ATOM 568 CA GLY B 7 42.284 1.919 17.144 1.00 0.00 C ATOM 569 C GLY B 7 42.544 0.895 16.055 1.00 0.00 C ATOM 570 O GLY B 7 43.665 0.763 15.565 1.00 0.00 O ATOM 0 HA2 GLY B 7 42.974 2.756 17.037 1.00 0.00 H new ATOM 0 HA3 GLY B 7 42.471 1.475 18.122 1.00 0.00 H new ATOM 574 N VAL B 8 41.496 0.177 15.669 1.00 0.00 N ATOM 575 CA VAL B 8 41.631 -0.820 14.623 1.00 0.00 C ATOM 576 C VAL B 8 42.061 -0.148 13.325 1.00 0.00 C ATOM 577 O VAL B 8 42.942 -0.647 12.622 1.00 0.00 O ATOM 578 CB VAL B 8 40.306 -1.574 14.425 1.00 0.00 C ATOM 579 CG1 VAL B 8 39.302 -0.695 13.670 1.00 0.00 C ATOM 580 CG2 VAL B 8 40.565 -2.854 13.624 1.00 0.00 C ATOM 0 H VAL B 8 40.558 0.266 16.060 1.00 0.00 H new ATOM 0 HA VAL B 8 42.393 -1.542 14.917 1.00 0.00 H new ATOM 0 HB VAL B 8 39.892 -1.825 15.401 1.00 0.00 H new ATOM 0 HG11 VAL B 8 38.368 -1.241 13.537 1.00 0.00 H new ATOM 0 HG12 VAL B 8 39.112 0.214 14.241 1.00 0.00 H new ATOM 0 HG13 VAL B 8 39.711 -0.432 12.694 1.00 0.00 H new ATOM 0 HG21 VAL B 8 39.627 -3.391 13.482 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.986 -2.596 12.652 1.00 0.00 H new ATOM 0 HG23 VAL B 8 41.267 -3.487 14.167 1.00 0.00 H new ATOM 590 N LEU B 9 41.454 1.000 13.013 1.00 0.00 N ATOM 591 CA LEU B 9 41.829 1.710 11.789 1.00 0.00 C ATOM 592 C LEU B 9 43.312 2.100 11.853 1.00 0.00 C ATOM 593 O LEU B 9 44.071 1.845 10.914 1.00 0.00 O ATOM 594 CB LEU B 9 40.938 2.958 11.593 1.00 0.00 C ATOM 595 CG LEU B 9 39.822 2.700 10.548 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.431 2.481 9.140 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.983 1.473 10.954 1.00 0.00 C ATOM 0 H LEU B 9 40.725 1.446 13.570 1.00 0.00 H new ATOM 0 HA LEU B 9 41.677 1.053 10.933 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.488 3.239 12.545 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.553 3.798 11.271 1.00 0.00 H new ATOM 0 HG LEU B 9 39.176 3.577 10.515 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.631 2.302 8.422 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.992 3.367 8.844 1.00 0.00 H new ATOM 0 HD13 LEU B 9 41.099 1.620 9.162 1.00 0.00 H new ATOM 0 HD21 LEU B 9 38.203 1.304 10.211 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.626 0.595 11.011 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.525 1.651 11.927 1.00 0.00 H new ATOM 609 N ALA B 10 43.726 2.692 12.972 1.00 0.00 N ATOM 610 CA ALA B 10 45.124 3.074 13.137 1.00 0.00 C ATOM 611 C ALA B 10 46.002 1.862 12.858 1.00 0.00 C ATOM 612 O ALA B 10 47.099 1.959 12.282 1.00 0.00 O ATOM 613 CB ALA B 10 45.369 3.571 14.563 1.00 0.00 C ATOM 0 H ALA B 10 43.124 2.914 13.765 1.00 0.00 H new ATOM 0 HA ALA B 10 45.367 3.877 12.441 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.416 3.853 14.675 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.736 4.436 14.760 1.00 0.00 H new ATOM 0 HB3 ALA B 10 45.130 2.778 15.271 1.00 0.00 H new ATOM 619 N GLY B 11 45.485 0.711 13.259 1.00 0.00 N ATOM 620 CA GLY B 11 46.181 -0.547 13.057 1.00 0.00 C ATOM 621 C GLY B 11 46.378 -0.802 11.571 1.00 0.00 C ATOM 622 O GLY B 11 47.450 -1.226 11.135 1.00 0.00 O ATOM 0 H GLY B 11 44.583 0.624 13.727 1.00 0.00 H new ATOM 0 HA2 GLY B 11 47.147 -0.522 13.561 1.00 0.00 H new ATOM 0 HA3 GLY B 11 45.611 -1.363 13.501 1.00 0.00 H new ATOM 626 N ILE B 12 45.336 -0.536 10.790 1.00 0.00 N ATOM 627 CA ILE B 12 45.423 -0.742 9.353 1.00 0.00 C ATOM 628 C ILE B 12 46.449 0.225 8.750 1.00 0.00 C ATOM 629 O ILE B 12 47.066 -0.088 7.739 1.00 0.00 O ATOM 630 CB ILE B 12 44.038 -0.561 8.682 1.00 0.00 C ATOM 631 CG1 ILE B 12 43.207 -1.859 8.795 1.00 0.00 C ATOM 632 CG2 ILE B 12 44.214 -0.216 7.192 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.715 -2.052 10.231 1.00 0.00 C ATOM 0 H ILE B 12 44.438 -0.184 11.122 1.00 0.00 H new ATOM 0 HA ILE B 12 45.750 -1.765 9.167 1.00 0.00 H new ATOM 0 HB ILE B 12 43.518 0.249 9.193 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.356 -1.814 8.115 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.812 -2.714 8.493 1.00 0.00 H new ATOM 0 HG21 ILE B 12 43.235 -0.091 6.729 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.781 0.710 7.097 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.751 -1.023 6.693 1.00 0.00 H new ATOM 0 HD11 ILE B 12 42.131 -2.970 10.295 1.00 0.00 H new ATOM 0 HD12 ILE B 12 43.571 -2.118 10.903 1.00 0.00 H new ATOM 0 HD13 ILE B 12 42.092 -1.205 10.519 1.00 0.00 H new ATOM 645 N VAL B 13 46.631 1.395 9.364 1.00 0.00 N ATOM 646 CA VAL B 13 47.602 2.356 8.834 1.00 0.00 C ATOM 647 C VAL B 13 49.007 1.771 8.918 1.00 0.00 C ATOM 648 O VAL B 13 49.712 1.633 7.906 1.00 0.00 O ATOM 649 CB VAL B 13 47.570 3.663 9.625 1.00 0.00 C ATOM 650 CG1 VAL B 13 48.593 4.639 9.041 1.00 0.00 C ATOM 651 CG2 VAL B 13 46.180 4.290 9.544 1.00 0.00 C ATOM 0 H VAL B 13 46.136 1.695 10.204 1.00 0.00 H new ATOM 0 HA VAL B 13 47.338 2.561 7.797 1.00 0.00 H new ATOM 0 HB VAL B 13 47.811 3.452 10.667 1.00 0.00 H new ATOM 0 HG11 VAL B 13 48.570 5.571 9.605 1.00 0.00 H new ATOM 0 HG12 VAL B 13 49.590 4.202 9.103 1.00 0.00 H new ATOM 0 HG13 VAL B 13 48.349 4.840 7.998 1.00 0.00 H new ATOM 0 HG21 VAL B 13 46.167 5.221 10.111 1.00 0.00 H new ATOM 0 HG22 VAL B 13 45.934 4.496 8.502 1.00 0.00 H new ATOM 0 HG23 VAL B 13 45.445 3.601 9.961 1.00 0.00 H new ATOM 661 N VAL B 14 49.416 1.397 10.125 1.00 0.00 N ATOM 662 CA VAL B 14 50.736 0.808 10.272 1.00 0.00 C ATOM 663 C VAL B 14 50.806 -0.420 9.379 1.00 0.00 C ATOM 664 O VAL B 14 51.870 -0.794 8.878 1.00 0.00 O ATOM 665 CB VAL B 14 51.011 0.437 11.729 1.00 0.00 C ATOM 666 CG1 VAL B 14 49.889 -0.456 12.251 1.00 0.00 C ATOM 667 CG2 VAL B 14 52.345 -0.308 11.820 1.00 0.00 C ATOM 0 H VAL B 14 48.875 1.487 10.985 1.00 0.00 H new ATOM 0 HA VAL B 14 51.498 1.529 9.976 1.00 0.00 H new ATOM 0 HB VAL B 14 51.059 1.344 12.332 1.00 0.00 H new ATOM 0 HG11 VAL B 14 50.087 -0.719 13.290 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.940 0.077 12.186 1.00 0.00 H new ATOM 0 HG13 VAL B 14 49.837 -1.364 11.650 1.00 0.00 H new ATOM 0 HG21 VAL B 14 52.543 -0.574 12.858 1.00 0.00 H new ATOM 0 HG22 VAL B 14 52.298 -1.214 11.216 1.00 0.00 H new ATOM 0 HG23 VAL B 14 53.146 0.333 11.450 1.00 0.00 H new ATOM 677 N GLY B 15 49.638 -1.022 9.161 1.00 0.00 N ATOM 678 CA GLY B 15 49.536 -2.190 8.301 1.00 0.00 C ATOM 679 C GLY B 15 49.835 -1.808 6.856 1.00 0.00 C ATOM 680 O GLY B 15 50.370 -2.610 6.100 1.00 0.00 O ATOM 0 H GLY B 15 48.754 -0.718 9.569 1.00 0.00 H new ATOM 0 HA2 GLY B 15 50.235 -2.958 8.634 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.536 -2.617 8.372 1.00 0.00 H new ATOM 684 N ASP B 16 49.489 -0.574 6.482 1.00 0.00 N ATOM 685 CA ASP B 16 49.737 -0.096 5.125 1.00 0.00 C ATOM 686 C ASP B 16 51.235 -0.013 4.886 1.00 0.00 C ATOM 687 O ASP B 16 51.742 -0.470 3.858 1.00 0.00 O ATOM 688 CB ASP B 16 49.104 1.287 4.920 1.00 0.00 C ATOM 689 CG ASP B 16 49.424 1.815 3.526 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.593 1.849 3.179 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.495 2.194 2.831 1.00 0.00 O ATOM 0 H ASP B 16 49.040 0.106 7.096 1.00 0.00 H new ATOM 0 HA ASP B 16 49.289 -0.793 4.417 1.00 0.00 H new ATOM 0 HB2 ASP B 16 48.024 1.223 5.053 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.477 1.981 5.673 1.00 0.00 H new ATOM 696 N LEU B 17 51.943 0.559 5.854 1.00 0.00 N ATOM 697 CA LEU B 17 53.393 0.673 5.733 1.00 0.00 C ATOM 698 C LEU B 17 54.001 -0.720 5.578 1.00 0.00 C ATOM 699 O LEU B 17 54.877 -0.944 4.736 1.00 0.00 O ATOM 700 CB LEU B 17 53.975 1.361 6.979 1.00 0.00 C ATOM 701 CG LEU B 17 53.822 2.882 6.863 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.371 3.232 6.527 1.00 0.00 C ATOM 703 CD2 LEU B 17 54.207 3.531 8.195 1.00 0.00 C ATOM 0 H LEU B 17 51.549 0.943 6.713 1.00 0.00 H new ATOM 0 HA LEU B 17 53.633 1.274 4.856 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.464 1.004 7.873 1.00 0.00 H new ATOM 0 HB3 LEU B 17 55.028 1.101 7.089 1.00 0.00 H new ATOM 0 HG LEU B 17 54.473 3.252 6.071 1.00 0.00 H new ATOM 0 HD11 LEU B 17 52.267 4.314 6.446 1.00 0.00 H new ATOM 0 HD12 LEU B 17 52.095 2.769 5.580 1.00 0.00 H new ATOM 0 HD13 LEU B 17 51.716 2.863 7.316 1.00 0.00 H new ATOM 0 HD21 LEU B 17 54.100 4.613 8.117 1.00 0.00 H new ATOM 0 HD22 LEU B 17 53.554 3.157 8.984 1.00 0.00 H new ATOM 0 HD23 LEU B 17 55.242 3.285 8.434 1.00 0.00 H new ATOM 715 N VAL B 18 53.521 -1.652 6.396 1.00 0.00 N ATOM 716 CA VAL B 18 54.008 -3.026 6.354 1.00 0.00 C ATOM 717 C VAL B 18 53.578 -3.722 5.063 1.00 0.00 C ATOM 718 O VAL B 18 54.191 -4.698 4.648 1.00 0.00 O ATOM 719 CB VAL B 18 53.477 -3.803 7.558 1.00 0.00 C ATOM 720 CG1 VAL B 18 53.943 -5.257 7.473 1.00 0.00 C ATOM 721 CG2 VAL B 18 54.009 -3.170 8.846 1.00 0.00 C ATOM 0 H VAL B 18 52.797 -1.481 7.094 1.00 0.00 H new ATOM 0 HA VAL B 18 55.097 -3.001 6.386 1.00 0.00 H new ATOM 0 HB VAL B 18 52.387 -3.772 7.560 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.564 -5.811 8.332 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.565 -5.707 6.555 1.00 0.00 H new ATOM 0 HG13 VAL B 18 55.032 -5.290 7.471 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.631 -3.723 9.706 1.00 0.00 H new ATOM 0 HG22 VAL B 18 55.099 -3.202 8.844 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.677 -2.134 8.906 1.00 0.00 H new ATOM 731 N LEU B 19 52.512 -3.228 4.445 1.00 0.00 N ATOM 732 CA LEU B 19 52.004 -3.823 3.211 1.00 0.00 C ATOM 733 C LEU B 19 52.970 -3.560 2.055 1.00 0.00 C ATOM 734 O LEU B 19 53.441 -4.493 1.393 1.00 0.00 O ATOM 735 CB LEU B 19 50.619 -3.222 2.898 1.00 0.00 C ATOM 736 CG LEU B 19 49.769 -4.181 2.045 1.00 0.00 C ATOM 737 CD1 LEU B 19 50.517 -4.530 0.756 1.00 0.00 C ATOM 738 CD2 LEU B 19 49.440 -5.470 2.832 1.00 0.00 C ATOM 0 H LEU B 19 51.983 -2.421 4.775 1.00 0.00 H new ATOM 0 HA LEU B 19 51.914 -4.902 3.338 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.097 -3.002 3.830 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.742 -2.276 2.371 1.00 0.00 H new ATOM 0 HG LEU B 19 48.832 -3.684 1.795 1.00 0.00 H new ATOM 0 HD11 LEU B 19 49.911 -5.209 0.156 1.00 0.00 H new ATOM 0 HD12 LEU B 19 50.710 -3.619 0.189 1.00 0.00 H new ATOM 0 HD13 LEU B 19 51.463 -5.011 1.003 1.00 0.00 H new ATOM 0 HD21 LEU B 19 48.839 -6.133 2.210 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.366 -5.974 3.109 1.00 0.00 H new ATOM 0 HD23 LEU B 19 48.883 -5.214 3.733 1.00 0.00 H new ATOM 750 N THR B 20 53.271 -2.286 1.829 1.00 0.00 N ATOM 751 CA THR B 20 54.186 -1.908 0.759 1.00 0.00 C ATOM 752 C THR B 20 55.565 -2.512 0.998 1.00 0.00 C ATOM 753 O THR B 20 56.198 -3.025 0.075 1.00 0.00 O ATOM 754 CB THR B 20 54.305 -0.385 0.683 1.00 0.00 C ATOM 755 OG1 THR B 20 53.042 0.173 0.357 1.00 0.00 O ATOM 756 CG2 THR B 20 55.325 -0.003 -0.391 1.00 0.00 C ATOM 0 H THR B 20 52.898 -1.504 2.367 1.00 0.00 H new ATOM 0 HA THR B 20 53.789 -2.289 -0.182 1.00 0.00 H new ATOM 0 HB THR B 20 54.634 0.001 1.648 1.00 0.00 H new ATOM 0 HG1 THR B 20 53.077 1.146 0.466 1.00 0.00 H new ATOM 0 HG21 THR B 20 55.409 1.083 -0.444 1.00 0.00 H new ATOM 0 HG22 THR B 20 56.296 -0.430 -0.139 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.999 -0.389 -1.357 1.00 0.00 H new ATOM 764 N VAL B 21 56.029 -2.436 2.238 1.00 0.00 N ATOM 765 CA VAL B 21 57.341 -2.967 2.579 1.00 0.00 C ATOM 766 C VAL B 21 57.381 -4.490 2.458 1.00 0.00 C ATOM 767 O VAL B 21 58.384 -5.052 2.040 1.00 0.00 O ATOM 768 CB VAL B 21 57.711 -2.560 4.007 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.060 -3.174 4.382 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.806 -1.035 4.092 1.00 0.00 C ATOM 0 H VAL B 21 55.522 -2.016 3.017 1.00 0.00 H new ATOM 0 HA VAL B 21 58.061 -2.551 1.874 1.00 0.00 H new ATOM 0 HB VAL B 21 56.946 -2.918 4.696 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.322 -2.883 5.399 1.00 0.00 H new ATOM 0 HG12 VAL B 21 58.995 -4.260 4.321 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.826 -2.817 3.694 1.00 0.00 H new ATOM 0 HG21 VAL B 21 58.069 -0.743 5.109 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.571 -0.679 3.402 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.845 -0.595 3.826 1.00 0.00 H new ATOM 780 N LEU B 22 56.301 -5.153 2.851 1.00 0.00 N ATOM 781 CA LEU B 22 56.253 -6.614 2.803 1.00 0.00 C ATOM 782 C LEU B 22 56.369 -7.148 1.377 1.00 0.00 C ATOM 783 O LEU B 22 57.192 -8.022 1.111 1.00 0.00 O ATOM 784 CB LEU B 22 54.950 -7.112 3.449 1.00 0.00 C ATOM 785 CG LEU B 22 54.792 -8.629 3.268 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.040 -9.353 3.790 1.00 0.00 C ATOM 787 CD2 LEU B 22 53.565 -9.099 4.057 1.00 0.00 C ATOM 0 H LEU B 22 55.453 -4.710 3.204 1.00 0.00 H new ATOM 0 HA LEU B 22 57.110 -6.991 3.361 1.00 0.00 H new ATOM 0 HB2 LEU B 22 54.949 -6.867 4.511 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.099 -6.598 3.003 1.00 0.00 H new ATOM 0 HG LEU B 22 54.666 -8.857 2.209 1.00 0.00 H new ATOM 0 HD11 LEU B 22 55.919 -10.428 3.658 1.00 0.00 H new ATOM 0 HD12 LEU B 22 56.915 -9.015 3.235 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.174 -9.131 4.849 1.00 0.00 H new ATOM 0 HD21 LEU B 22 53.444 -10.175 3.935 1.00 0.00 H new ATOM 0 HD22 LEU B 22 53.701 -8.867 5.113 1.00 0.00 H new ATOM 0 HD23 LEU B 22 52.676 -8.590 3.685 1.00 0.00 H new ATOM 799 N ILE B 23 55.545 -6.646 0.463 1.00 0.00 N ATOM 800 CA ILE B 23 55.599 -7.133 -0.916 1.00 0.00 C ATOM 801 C ILE B 23 56.894 -6.685 -1.588 1.00 0.00 C ATOM 802 O ILE B 23 57.506 -7.446 -2.336 1.00 0.00 O ATOM 803 CB ILE B 23 54.378 -6.652 -1.714 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.103 -7.051 -0.961 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.363 -7.314 -3.106 1.00 0.00 C ATOM 806 CD1 ILE B 23 51.913 -6.279 -1.522 1.00 0.00 C ATOM 0 H ILE B 23 54.849 -5.922 0.641 1.00 0.00 H new ATOM 0 HA ILE B 23 55.580 -8.223 -0.896 1.00 0.00 H new ATOM 0 HB ILE B 23 54.428 -5.569 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE B 23 52.932 -8.123 -1.058 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.216 -6.841 0.103 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.494 -6.967 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.272 -7.047 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.313 -8.397 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.008 -6.564 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.084 -5.209 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE B 23 51.795 -6.511 -2.581 1.00 0.00 H new ATOM 818 N ALA B 24 57.311 -5.451 -1.320 1.00 0.00 N ATOM 819 CA ALA B 24 58.539 -4.937 -1.913 1.00 0.00 C ATOM 820 C ALA B 24 59.738 -5.780 -1.481 1.00 0.00 C ATOM 821 O ALA B 24 60.581 -6.137 -2.306 1.00 0.00 O ATOM 822 CB ALA B 24 58.754 -3.480 -1.498 1.00 0.00 C ATOM 0 H ALA B 24 56.825 -4.798 -0.706 1.00 0.00 H new ATOM 0 HA ALA B 24 58.446 -4.991 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.674 -3.106 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.913 -2.877 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.828 -3.418 -0.412 1.00 0.00 H new ATOM 828 N LEU B 25 59.810 -6.105 -0.192 1.00 0.00 N ATOM 829 CA LEU B 25 60.913 -6.917 0.315 1.00 0.00 C ATOM 830 C LEU B 25 60.752 -8.355 -0.168 1.00 0.00 C ATOM 831 O LEU B 25 61.731 -9.086 -0.310 1.00 0.00 O ATOM 832 CB LEU B 25 60.952 -6.878 1.861 1.00 0.00 C ATOM 833 CG LEU B 25 61.825 -5.711 2.378 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.318 -6.063 2.269 1.00 0.00 C ATOM 835 CD2 LEU B 25 61.541 -4.420 1.587 1.00 0.00 C ATOM 0 H LEU B 25 59.128 -5.823 0.512 1.00 0.00 H new ATOM 0 HA LEU B 25 61.852 -6.511 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU B 25 59.939 -6.775 2.249 1.00 0.00 H new ATOM 0 HB3 LEU B 25 61.344 -7.822 2.240 1.00 0.00 H new ATOM 0 HG LEU B 25 61.572 -5.545 3.425 1.00 0.00 H new ATOM 0 HD11 LEU B 25 63.916 -5.230 2.637 1.00 0.00 H new ATOM 0 HD12 LEU B 25 63.527 -6.951 2.865 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.571 -6.258 1.227 1.00 0.00 H new ATOM 0 HD21 LEU B 25 62.167 -3.614 1.969 1.00 0.00 H new ATOM 0 HD22 LEU B 25 61.763 -4.583 0.532 1.00 0.00 H new ATOM 0 HD23 LEU B 25 60.491 -4.148 1.699 1.00 0.00 H new ATOM 847 N ALA B 26 59.511 -8.754 -0.410 1.00 0.00 N ATOM 848 CA ALA B 26 59.238 -10.107 -0.871 1.00 0.00 C ATOM 849 C ALA B 26 59.859 -10.343 -2.242 1.00 0.00 C ATOM 850 O ALA B 26 60.609 -11.302 -2.433 1.00 0.00 O ATOM 851 CB ALA B 26 57.728 -10.341 -0.947 1.00 0.00 C ATOM 0 H ALA B 26 58.685 -8.166 -0.296 1.00 0.00 H new ATOM 0 HA ALA B 26 59.678 -10.806 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA B 26 57.534 -11.356 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA B 26 57.288 -10.204 0.041 1.00 0.00 H new ATOM 0 HB3 ALA B 26 57.284 -9.629 -1.643 1.00 0.00 H new ATOM 857 N VAL B 27 59.544 -9.473 -3.199 1.00 0.00 N ATOM 858 CA VAL B 27 60.086 -9.628 -4.544 1.00 0.00 C ATOM 859 C VAL B 27 61.578 -9.310 -4.581 1.00 0.00 C ATOM 860 O VAL B 27 62.344 -9.974 -5.278 1.00 0.00 O ATOM 861 CB VAL B 27 59.334 -8.712 -5.500 1.00 0.00 C ATOM 862 CG1 VAL B 27 57.851 -9.094 -5.495 1.00 0.00 C ATOM 863 CG2 VAL B 27 59.498 -7.262 -5.037 1.00 0.00 C ATOM 0 H VAL B 27 58.929 -8.669 -3.072 1.00 0.00 H new ATOM 0 HA VAL B 27 59.959 -10.666 -4.850 1.00 0.00 H new ATOM 0 HB VAL B 27 59.731 -8.816 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL B 27 57.305 -8.442 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL B 27 57.741 -10.130 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL B 27 57.450 -8.982 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL B 27 58.962 -6.600 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.093 -7.153 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL B 27 60.556 -6.999 -5.033 1.00 0.00 H new ATOM 873 N TYR B 28 61.982 -8.291 -3.831 1.00 0.00 N ATOM 874 CA TYR B 28 63.385 -7.895 -3.793 1.00 0.00 C ATOM 875 C TYR B 28 64.250 -9.041 -3.274 1.00 0.00 C ATOM 876 O TYR B 28 65.272 -9.380 -3.870 1.00 0.00 O ATOM 877 CB TYR B 28 63.551 -6.673 -2.888 1.00 0.00 C ATOM 878 CG TYR B 28 64.985 -6.202 -2.928 1.00 0.00 C ATOM 879 CD1 TYR B 28 65.937 -6.785 -2.084 1.00 0.00 C ATOM 880 CD2 TYR B 28 65.361 -5.178 -3.806 1.00 0.00 C ATOM 881 CE1 TYR B 28 67.266 -6.345 -2.118 1.00 0.00 C ATOM 882 CE2 TYR B 28 66.690 -4.739 -3.842 1.00 0.00 C ATOM 883 CZ TYR B 28 67.643 -5.322 -2.997 1.00 0.00 C ATOM 884 OH TYR B 28 68.952 -4.888 -3.031 1.00 0.00 O ATOM 0 H TYR B 28 61.364 -7.728 -3.246 1.00 0.00 H new ATOM 0 HA TYR B 28 63.706 -7.646 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR B 28 62.886 -5.873 -3.215 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.269 -6.924 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR B 28 65.647 -7.574 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR B 28 64.626 -4.727 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR B 28 68.000 -6.795 -1.466 1.00 0.00 H new ATOM 0 HE2 TYR B 28 66.980 -3.951 -4.521 1.00 0.00 H new ATOM 0 HH TYR B 28 69.043 -4.174 -3.696 1.00 0.00 H new ATOM 894 N PHE B 29 63.831 -9.631 -2.159 1.00 0.00 N ATOM 895 CA PHE B 29 64.570 -10.737 -1.561 1.00 0.00 C ATOM 896 C PHE B 29 64.616 -11.930 -2.511 1.00 0.00 C ATOM 897 O PHE B 29 65.669 -12.535 -2.710 1.00 0.00 O ATOM 898 CB PHE B 29 63.912 -11.156 -0.246 1.00 0.00 C ATOM 899 CG PHE B 29 64.754 -12.215 0.425 1.00 0.00 C ATOM 900 CD1 PHE B 29 65.862 -11.844 1.197 1.00 0.00 C ATOM 901 CD2 PHE B 29 64.426 -13.568 0.276 1.00 0.00 C ATOM 902 CE1 PHE B 29 66.642 -12.826 1.819 1.00 0.00 C ATOM 903 CE2 PHE B 29 65.207 -14.549 0.898 1.00 0.00 C ATOM 904 CZ PHE B 29 66.315 -14.178 1.670 1.00 0.00 C ATOM 0 H PHE B 29 62.987 -9.363 -1.653 1.00 0.00 H new ATOM 0 HA PHE B 29 65.589 -10.403 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE B 29 63.804 -10.292 0.410 1.00 0.00 H new ATOM 0 HB3 PHE B 29 62.909 -11.540 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.115 -10.800 1.312 1.00 0.00 H new ATOM 0 HD2 PHE B 29 63.571 -13.855 -0.318 1.00 0.00 H new ATOM 0 HE1 PHE B 29 67.497 -12.540 2.414 1.00 0.00 H new ATOM 0 HE2 PHE B 29 64.955 -15.593 0.782 1.00 0.00 H new ATOM 0 HZ PHE B 29 66.917 -14.935 2.150 1.00 0.00 H new