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= -1.1 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 170:sc= -4.15! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLY A 7 37.830 9.672 8.516 1.00 0.00 N ATOM 77 CA GLY A 7 37.907 10.104 7.126 1.00 0.00 C ATOM 78 C GLY A 7 39.286 9.814 6.551 1.00 0.00 C ATOM 79 O GLY A 7 39.416 9.112 5.547 1.00 0.00 O ATOM 0 HA2 GLY A 7 37.146 9.591 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.696 11.171 7.059 1.00 0.00 H new ATOM 83 N VAL A 8 40.317 10.344 7.199 1.00 0.00 N ATOM 84 CA VAL A 8 41.680 10.114 6.739 1.00 0.00 C ATOM 85 C VAL A 8 42.035 8.636 6.893 1.00 0.00 C ATOM 86 O VAL A 8 42.585 8.028 5.977 1.00 0.00 O ATOM 87 CB VAL A 8 42.663 10.985 7.528 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.581 10.651 9.018 1.00 0.00 C ATOM 89 CG2 VAL A 8 44.088 10.735 7.020 1.00 0.00 C ATOM 0 H VAL A 8 40.237 10.927 8.032 1.00 0.00 H new ATOM 0 HA VAL A 8 41.750 10.386 5.686 1.00 0.00 H new ATOM 0 HB VAL A 8 42.404 12.034 7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 8 43.283 11.275 9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.569 10.838 9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.832 9.601 9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.788 11.354 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 8 44.344 9.684 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 8 44.147 10.989 5.962 1.00 0.00 H new ATOM 99 N LEU A 9 41.692 8.060 8.046 1.00 0.00 N ATOM 100 CA LEU A 9 41.960 6.647 8.297 1.00 0.00 C ATOM 101 C LEU A 9 41.280 5.800 7.209 1.00 0.00 C ATOM 102 O LEU A 9 41.904 4.916 6.606 1.00 0.00 O ATOM 103 CB LEU A 9 41.432 6.266 9.706 1.00 0.00 C ATOM 104 CG LEU A 9 42.574 6.175 10.744 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.607 5.096 10.339 1.00 0.00 C ATOM 106 CD2 LEU A 9 43.263 7.539 10.876 1.00 0.00 C ATOM 0 H LEU A 9 41.231 8.548 8.815 1.00 0.00 H new ATOM 0 HA LEU A 9 43.033 6.457 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.702 7.007 10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.913 5.309 9.653 1.00 0.00 H new ATOM 0 HG LEU A 9 42.145 5.890 11.705 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.400 5.053 11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 9 43.114 4.126 10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 9 44.036 5.349 9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 9 44.067 7.471 11.608 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.675 7.833 9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.537 8.283 11.203 1.00 0.00 H new ATOM 118 N ALA A 10 40.009 6.093 6.938 1.00 0.00 N ATOM 119 CA ALA A 10 39.288 5.368 5.900 1.00 0.00 C ATOM 120 C ALA A 10 40.076 5.472 4.601 1.00 0.00 C ATOM 121 O ALA A 10 40.185 4.519 3.821 1.00 0.00 O ATOM 122 CB ALA A 10 37.891 5.963 5.708 1.00 0.00 C ATOM 0 H ALA A 10 39.468 6.814 7.414 1.00 0.00 H new ATOM 0 HA ALA A 10 39.179 4.323 6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.364 5.411 4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.334 5.893 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.978 7.009 5.415 1.00 0.00 H new ATOM 128 N GLY A 11 40.647 6.648 4.393 1.00 0.00 N ATOM 129 CA GLY A 11 41.449 6.896 3.206 1.00 0.00 C ATOM 130 C GLY A 11 42.639 5.947 3.171 1.00 0.00 C ATOM 131 O GLY A 11 43.032 5.462 2.106 1.00 0.00 O ATOM 0 H GLY A 11 40.570 7.443 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.840 6.762 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.797 7.929 3.202 1.00 0.00 H new ATOM 135 N ILE A 12 43.209 5.678 4.344 1.00 0.00 N ATOM 136 CA ILE A 12 44.353 4.780 4.421 1.00 0.00 C ATOM 137 C ILE A 12 43.974 3.381 3.959 1.00 0.00 C ATOM 138 O ILE A 12 44.731 2.754 3.226 1.00 0.00 O ATOM 139 CB ILE A 12 44.919 4.711 5.845 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.317 6.116 6.332 1.00 0.00 C ATOM 141 CG2 ILE A 12 46.146 3.791 5.861 1.00 0.00 C ATOM 142 CD1 ILE A 12 46.289 6.787 5.351 1.00 0.00 C ATOM 0 H ILE A 12 42.903 6.062 5.238 1.00 0.00 H new ATOM 0 HA ILE A 12 45.122 5.182 3.761 1.00 0.00 H new ATOM 0 HB ILE A 12 44.154 4.314 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.425 6.732 6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.780 6.045 7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.550 3.741 6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.856 2.792 5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.906 4.186 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 12 46.553 7.778 5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 12 47.191 6.181 5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.814 6.879 4.374 1.00 0.00 H new ATOM 154 N VAL A 13 42.811 2.877 4.378 1.00 0.00 N ATOM 155 CA VAL A 13 42.422 1.530 3.947 1.00 0.00 C ATOM 156 C VAL A 13 42.312 1.492 2.429 1.00 0.00 C ATOM 157 O VAL A 13 42.799 0.560 1.786 1.00 0.00 O ATOM 158 CB VAL A 13 41.109 1.043 4.626 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.899 1.781 5.944 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.881 1.277 3.729 1.00 0.00 C ATOM 0 H VAL A 13 42.147 3.354 4.988 1.00 0.00 H new ATOM 0 HA VAL A 13 43.200 0.836 4.266 1.00 0.00 H new ATOM 0 HB VAL A 13 41.213 -0.028 4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.978 1.434 6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.740 1.585 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.828 2.852 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 13 38.985 0.924 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.782 2.342 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.005 0.732 2.793 1.00 0.00 H new ATOM 170 N VAL A 14 41.704 2.518 1.846 1.00 0.00 N ATOM 171 CA VAL A 14 41.601 2.555 0.394 1.00 0.00 C ATOM 172 C VAL A 14 43.001 2.384 -0.187 1.00 0.00 C ATOM 173 O VAL A 14 43.217 1.632 -1.143 1.00 0.00 O ATOM 174 CB VAL A 14 40.992 3.882 -0.061 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.941 3.928 -1.590 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.572 4.002 0.496 1.00 0.00 C ATOM 0 H VAL A 14 41.288 3.310 2.336 1.00 0.00 H new ATOM 0 HA VAL A 14 40.952 1.752 0.044 1.00 0.00 H new ATOM 0 HB VAL A 14 41.604 4.706 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.507 4.875 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.951 3.838 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.329 3.105 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.134 4.947 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.965 3.176 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.604 3.969 1.585 1.00 0.00 H new ATOM 186 N GLY A 15 43.957 3.069 0.433 1.00 0.00 N ATOM 187 CA GLY A 15 45.346 2.979 0.012 1.00 0.00 C ATOM 188 C GLY A 15 45.875 1.561 0.206 1.00 0.00 C ATOM 189 O GLY A 15 46.684 1.086 -0.581 1.00 0.00 O ATOM 0 H GLY A 15 43.794 3.690 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.433 3.265 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.952 3.681 0.586 1.00 0.00 H new ATOM 193 N ASP A 16 45.409 0.890 1.260 1.00 0.00 N ATOM 194 CA ASP A 16 45.847 -0.476 1.541 1.00 0.00 C ATOM 195 C ASP A 16 45.559 -1.376 0.347 1.00 0.00 C ATOM 196 O ASP A 16 46.439 -2.097 -0.125 1.00 0.00 O ATOM 197 CB ASP A 16 45.127 -1.021 2.779 1.00 0.00 C ATOM 198 CG ASP A 16 45.787 -2.316 3.237 1.00 0.00 C ATOM 199 OD1 ASP A 16 46.965 -2.279 3.554 1.00 0.00 O ATOM 200 OD2 ASP A 16 45.106 -3.327 3.266 1.00 0.00 O ATOM 0 H ASP A 16 44.735 1.266 1.927 1.00 0.00 H new ATOM 0 HA ASP A 16 46.920 -0.462 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.157 -0.284 3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.076 -1.200 2.550 1.00 0.00 H new ATOM 205 N LEU A 17 44.325 -1.324 -0.142 1.00 0.00 N ATOM 206 CA LEU A 17 43.940 -2.135 -1.292 1.00 0.00 C ATOM 207 C LEU A 17 44.787 -1.747 -2.501 1.00 0.00 C ATOM 208 O LEU A 17 45.218 -2.607 -3.274 1.00 0.00 O ATOM 209 CB LEU A 17 42.448 -1.929 -1.604 1.00 0.00 C ATOM 210 CG LEU A 17 41.595 -2.810 -0.685 1.00 0.00 C ATOM 211 CD1 LEU A 17 41.850 -2.430 0.774 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.115 -2.601 -1.012 1.00 0.00 C ATOM 0 H LEU A 17 43.581 -0.736 0.234 1.00 0.00 H new ATOM 0 HA LEU A 17 44.108 -3.187 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.181 -0.881 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.248 -2.176 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 17 41.861 -3.856 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.242 -3.058 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.904 -2.577 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.586 -1.384 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.506 -3.227 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.853 -1.554 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 17 39.930 -2.873 -2.051 1.00 0.00 H new ATOM 224 N VAL A 18 45.024 -0.449 -2.657 1.00 0.00 N ATOM 225 CA VAL A 18 45.823 0.045 -3.777 1.00 0.00 C ATOM 226 C VAL A 18 47.254 -0.503 -3.718 1.00 0.00 C ATOM 227 O VAL A 18 47.836 -0.838 -4.746 1.00 0.00 O ATOM 228 CB VAL A 18 45.854 1.576 -3.753 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.802 2.093 -4.839 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.444 2.119 -4.011 1.00 0.00 C ATOM 0 H VAL A 18 44.678 0.276 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 18 45.363 -0.299 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 18 46.205 1.912 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.820 3.183 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.806 1.710 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.455 1.755 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.465 3.209 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.095 1.778 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.767 1.757 -3.237 1.00 0.00 H new ATOM 240 N LEU A 19 47.815 -0.577 -2.515 1.00 0.00 N ATOM 241 CA LEU A 19 49.180 -1.072 -2.334 1.00 0.00 C ATOM 242 C LEU A 19 49.273 -2.554 -2.674 1.00 0.00 C ATOM 243 O LEU A 19 50.213 -2.992 -3.337 1.00 0.00 O ATOM 244 CB LEU A 19 49.613 -0.871 -0.878 1.00 0.00 C ATOM 245 CG LEU A 19 49.795 0.626 -0.572 1.00 0.00 C ATOM 246 CD1 LEU A 19 49.786 0.845 0.954 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.123 1.139 -1.163 1.00 0.00 C ATOM 0 H LEU A 19 47.348 -0.302 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 19 49.834 -0.513 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 19 48.866 -1.297 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.547 -1.402 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 19 48.974 1.181 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 19 49.915 1.906 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 19 48.836 0.504 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.601 0.281 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.236 2.199 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 19 51.954 0.585 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.120 0.996 -2.244 1.00 0.00 H new ATOM 259 N THR A 20 48.304 -3.325 -2.203 1.00 0.00 N ATOM 260 CA THR A 20 48.301 -4.761 -2.449 1.00 0.00 C ATOM 261 C THR A 20 48.267 -5.064 -3.944 1.00 0.00 C ATOM 262 O THR A 20 49.079 -5.841 -4.447 1.00 0.00 O ATOM 263 CB THR A 20 47.080 -5.394 -1.774 1.00 0.00 C ATOM 264 OG1 THR A 20 46.931 -4.860 -0.466 1.00 0.00 O ATOM 265 CG2 THR A 20 47.264 -6.911 -1.688 1.00 0.00 C ATOM 0 H THR A 20 47.515 -2.985 -1.653 1.00 0.00 H new ATOM 0 HA THR A 20 49.217 -5.180 -2.034 1.00 0.00 H new ATOM 0 HB THR A 20 46.189 -5.172 -2.362 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.613 -3.935 -0.525 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.393 -7.356 -1.207 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.374 -7.322 -2.692 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.156 -7.137 -1.104 1.00 0.00 H new ATOM 273 N VAL A 21 47.315 -4.456 -4.644 1.00 0.00 N ATOM 274 CA VAL A 21 47.166 -4.681 -6.080 1.00 0.00 C ATOM 275 C VAL A 21 48.285 -4.024 -6.886 1.00 0.00 C ATOM 276 O VAL A 21 48.612 -4.476 -7.984 1.00 0.00 O ATOM 277 CB VAL A 21 45.817 -4.127 -6.543 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.651 -4.361 -8.045 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.690 -4.833 -5.788 1.00 0.00 C ATOM 0 H VAL A 21 46.638 -3.807 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 21 47.220 -5.756 -6.253 1.00 0.00 H new ATOM 0 HB VAL A 21 45.777 -3.057 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.689 -3.965 -8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.453 -3.855 -8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.693 -5.430 -8.253 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.729 -4.439 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.732 -5.903 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.805 -4.661 -4.718 1.00 0.00 H new ATOM 289 N LEU A 22 48.850 -2.945 -6.360 1.00 0.00 N ATOM 290 CA LEU A 22 49.907 -2.235 -7.073 1.00 0.00 C ATOM 291 C LEU A 22 51.192 -3.057 -7.143 1.00 0.00 C ATOM 292 O LEU A 22 51.704 -3.323 -8.233 1.00 0.00 O ATOM 293 CB LEU A 22 50.175 -0.886 -6.388 1.00 0.00 C ATOM 294 CG LEU A 22 51.396 -0.194 -7.014 1.00 0.00 C ATOM 295 CD1 LEU A 22 51.236 -0.113 -8.537 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.511 1.222 -6.441 1.00 0.00 C ATOM 0 H LEU A 22 48.600 -2.546 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 22 49.571 -2.066 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.299 -0.244 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.345 -1.041 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 22 52.293 -0.768 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.107 0.379 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 22 51.147 -1.119 -8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 22 50.340 0.458 -8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.375 1.723 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.608 1.784 -6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.633 1.168 -5.359 1.00 0.00 H new ATOM 308 N ILE A 23 51.716 -3.465 -5.993 1.00 0.00 N ATOM 309 CA ILE A 23 52.938 -4.245 -5.986 1.00 0.00 C ATOM 310 C ILE A 23 52.650 -5.642 -6.539 1.00 0.00 C ATOM 311 O ILE A 23 53.451 -6.197 -7.289 1.00 0.00 O ATOM 312 CB ILE A 23 53.526 -4.361 -4.566 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.409 -3.021 -3.792 1.00 0.00 C ATOM 314 CG2 ILE A 23 55.006 -4.778 -4.667 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.470 -2.011 -4.244 1.00 0.00 C ATOM 0 H ILE A 23 51.320 -3.272 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 23 53.671 -3.737 -6.612 1.00 0.00 H new ATOM 0 HB ILE A 23 52.959 -5.113 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.416 -2.598 -3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.516 -3.207 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.429 -4.862 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 23 55.079 -5.740 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.558 -4.027 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.356 -1.086 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.463 -2.423 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.346 -1.805 -5.307 1.00 0.00 H new ATOM 327 N ALA A 24 51.498 -6.204 -6.169 1.00 0.00 N ATOM 328 CA ALA A 24 51.129 -7.535 -6.640 1.00 0.00 C ATOM 329 C ALA A 24 51.067 -7.570 -8.159 1.00 0.00 C ATOM 330 O ALA A 24 51.493 -8.539 -8.784 1.00 0.00 O ATOM 331 CB ALA A 24 49.772 -7.946 -6.065 1.00 0.00 C ATOM 0 H ALA A 24 50.814 -5.764 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 24 51.892 -8.236 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.510 -8.941 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 24 49.826 -7.957 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.011 -7.233 -6.383 1.00 0.00 H new ATOM 337 N LEU A 25 50.540 -6.506 -8.755 1.00 0.00 N ATOM 338 CA LEU A 25 50.447 -6.444 -10.205 1.00 0.00 C ATOM 339 C LEU A 25 51.843 -6.299 -10.800 1.00 0.00 C ATOM 340 O LEU A 25 52.143 -6.864 -11.850 1.00 0.00 O ATOM 341 CB LEU A 25 49.565 -5.262 -10.632 1.00 0.00 C ATOM 342 CG LEU A 25 49.535 -5.137 -12.164 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.086 -6.462 -12.800 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.554 -4.025 -12.553 1.00 0.00 C ATOM 0 H LEU A 25 50.177 -5.689 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 25 49.993 -7.364 -10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.553 -5.401 -10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.946 -4.340 -10.194 1.00 0.00 H new ATOM 0 HG LEU A 25 50.535 -4.898 -12.525 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.070 -6.358 -13.885 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.782 -7.253 -12.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.087 -6.716 -12.445 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.525 -3.928 -13.638 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.559 -4.273 -12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.880 -3.082 -12.113 1.00 0.00 H new ATOM 356 N ALA A 26 52.688 -5.530 -10.119 1.00 0.00 N ATOM 357 CA ALA A 26 54.050 -5.303 -10.587 1.00 0.00 C ATOM 358 C ALA A 26 54.850 -6.607 -10.661 1.00 0.00 C ATOM 359 O ALA A 26 55.429 -6.922 -11.700 1.00 0.00 O ATOM 360 CB ALA A 26 54.762 -4.322 -9.655 1.00 0.00 C ATOM 0 H ALA A 26 52.455 -5.056 -9.246 1.00 0.00 H new ATOM 0 HA ALA A 26 53.989 -4.886 -11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.779 -4.156 -10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.223 -3.375 -9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.792 -4.735 -8.647 1.00 0.00 H new ATOM 366 N VAL A 27 54.899 -7.358 -9.560 1.00 0.00 N ATOM 367 CA VAL A 27 55.660 -8.609 -9.548 1.00 0.00 C ATOM 368 C VAL A 27 55.032 -9.661 -10.456 1.00 0.00 C ATOM 369 O VAL A 27 55.733 -10.361 -11.184 1.00 0.00 O ATOM 370 CB VAL A 27 55.755 -9.154 -8.122 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.239 -8.047 -7.182 1.00 0.00 C ATOM 372 CG2 VAL A 27 54.380 -9.654 -7.665 1.00 0.00 C ATOM 0 H VAL A 27 54.432 -7.130 -8.682 1.00 0.00 H new ATOM 0 HA VAL A 27 56.659 -8.389 -9.926 1.00 0.00 H new ATOM 0 HB VAL A 27 56.463 -9.983 -8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.306 -8.436 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.221 -7.700 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.535 -7.215 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.453 -10.041 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 27 53.667 -8.830 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.041 -10.447 -8.332 1.00 0.00 H new ATOM 382 N TYR A 28 53.713 -9.778 -10.401 1.00 0.00 N ATOM 383 CA TYR A 28 53.014 -10.762 -11.217 1.00 0.00 C ATOM 384 C TYR A 28 53.275 -10.528 -12.704 1.00 0.00 C ATOM 385 O TYR A 28 53.568 -11.466 -13.445 1.00 0.00 O ATOM 386 CB TYR A 28 51.513 -10.691 -10.949 1.00 0.00 C ATOM 387 CG TYR A 28 50.816 -11.755 -11.759 1.00 0.00 C ATOM 388 CD1 TYR A 28 50.378 -11.471 -13.058 1.00 0.00 C ATOM 389 CD2 TYR A 28 50.612 -13.028 -11.214 1.00 0.00 C ATOM 390 CE1 TYR A 28 49.737 -12.460 -13.811 1.00 0.00 C ATOM 391 CE2 TYR A 28 49.970 -14.018 -11.968 1.00 0.00 C ATOM 392 CZ TYR A 28 49.532 -13.733 -13.267 1.00 0.00 C ATOM 393 OH TYR A 28 48.900 -14.708 -14.011 1.00 0.00 O ATOM 0 H TYR A 28 53.110 -9.210 -9.806 1.00 0.00 H new ATOM 0 HA TYR A 28 53.390 -11.749 -10.949 1.00 0.00 H new ATOM 0 HB2 TYR A 28 51.313 -10.836 -9.887 1.00 0.00 H new ATOM 0 HB3 TYR A 28 51.130 -9.706 -11.214 1.00 0.00 H new ATOM 0 HD1 TYR A 28 50.535 -10.489 -13.478 1.00 0.00 H new ATOM 0 HD2 TYR A 28 50.950 -13.247 -10.212 1.00 0.00 H new ATOM 0 HE1 TYR A 28 49.400 -12.241 -14.813 1.00 0.00 H new ATOM 0 HE2 TYR A 28 49.813 -15.000 -11.548 1.00 0.00 H new ATOM 0 HH TYR A 28 48.839 -15.533 -13.485 1.00 0.00 H new ATOM 403 N PHE A 29 53.154 -9.277 -13.135 1.00 0.00 N ATOM 404 CA PHE A 29 53.366 -8.942 -14.540 1.00 0.00 C ATOM 405 C PHE A 29 54.827 -9.142 -14.940 1.00 0.00 C ATOM 406 O PHE A 29 55.123 -9.882 -15.878 1.00 0.00 O ATOM 407 CB PHE A 29 52.963 -7.489 -14.794 1.00 0.00 C ATOM 408 CG PHE A 29 53.169 -7.156 -16.252 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.223 -7.562 -17.201 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.303 -6.443 -16.655 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.412 -7.254 -18.554 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.492 -6.136 -18.008 1.00 0.00 C ATOM 413 CZ PHE A 29 53.546 -6.541 -18.956 1.00 0.00 C ATOM 0 H PHE A 29 52.913 -8.485 -12.539 1.00 0.00 H new ATOM 0 HA PHE A 29 52.748 -9.608 -15.143 1.00 0.00 H new ATOM 0 HB2 PHE A 29 51.919 -7.337 -14.519 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.557 -6.821 -14.170 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.348 -8.113 -16.890 1.00 0.00 H new ATOM 0 HD2 PHE A 29 55.032 -6.129 -15.923 1.00 0.00 H new ATOM 0 HE1 PHE A 29 51.683 -7.567 -19.286 1.00 0.00 H new ATOM 0 HE2 PHE A 29 55.368 -5.587 -18.320 1.00 0.00 H new ATOM 0 HZ PHE A 29 53.692 -6.303 -19.999 1.00 0.00 H new ATOM 567 N GLY B 7 39.862 1.631 16.588 1.00 0.00 N ATOM 568 CA GLY B 7 41.201 1.071 16.737 1.00 0.00 C ATOM 569 C GLY B 7 41.571 0.217 15.532 1.00 0.00 C ATOM 570 O GLY B 7 42.730 0.181 15.115 1.00 0.00 O ATOM 0 HA2 GLY B 7 41.926 1.877 16.853 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.248 0.468 17.643 1.00 0.00 H new ATOM 574 N VAL B 8 40.582 -0.470 14.973 1.00 0.00 N ATOM 575 CA VAL B 8 40.828 -1.317 13.817 1.00 0.00 C ATOM 576 C VAL B 8 41.482 -0.500 12.704 1.00 0.00 C ATOM 577 O VAL B 8 42.436 -0.951 12.076 1.00 0.00 O ATOM 578 CB VAL B 8 39.512 -1.944 13.333 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.557 -0.853 12.832 1.00 0.00 C ATOM 580 CG2 VAL B 8 39.801 -2.937 12.199 1.00 0.00 C ATOM 0 H VAL B 8 39.615 -0.457 15.297 1.00 0.00 H new ATOM 0 HA VAL B 8 41.507 -2.122 14.099 1.00 0.00 H new ATOM 0 HB VAL B 8 39.043 -2.468 14.166 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.628 -1.311 12.492 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.343 -0.157 13.643 1.00 0.00 H new ATOM 0 HG13 VAL B 8 39.021 -0.315 12.005 1.00 0.00 H new ATOM 0 HG21 VAL B 8 38.866 -3.381 11.857 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.279 -2.414 11.371 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.464 -3.722 12.563 1.00 0.00 H new ATOM 590 N LEU B 9 40.985 0.714 12.477 1.00 0.00 N ATOM 591 CA LEU B 9 41.564 1.569 11.440 1.00 0.00 C ATOM 592 C LEU B 9 43.076 1.727 11.680 1.00 0.00 C ATOM 593 O LEU B 9 43.894 1.479 10.787 1.00 0.00 O ATOM 594 CB LEU B 9 40.875 2.952 11.459 1.00 0.00 C ATOM 595 CG LEU B 9 39.719 3.023 10.437 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.260 2.889 8.991 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.690 1.914 10.721 1.00 0.00 C ATOM 0 H LEU B 9 40.200 1.123 12.984 1.00 0.00 H new ATOM 0 HA LEU B 9 41.407 1.109 10.464 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.491 3.155 12.459 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.608 3.728 11.236 1.00 0.00 H new ATOM 0 HG LEU B 9 39.231 3.993 10.536 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.430 2.941 8.286 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.960 3.699 8.788 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.770 1.932 8.881 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.880 1.974 9.994 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.174 0.940 10.645 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.286 2.041 11.725 1.00 0.00 H new ATOM 609 N ALA B 10 43.440 2.125 12.896 1.00 0.00 N ATOM 610 CA ALA B 10 44.849 2.291 13.239 1.00 0.00 C ATOM 611 C ALA B 10 45.606 1.024 12.864 1.00 0.00 C ATOM 612 O ALA B 10 46.757 1.059 12.400 1.00 0.00 O ATOM 613 CB ALA B 10 44.991 2.549 14.740 1.00 0.00 C ATOM 0 H ALA B 10 42.788 2.336 13.652 1.00 0.00 H new ATOM 0 HA ALA B 10 45.259 3.140 12.693 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.045 2.672 14.990 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.447 3.455 15.007 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.583 1.704 15.295 1.00 0.00 H new ATOM 619 N GLY B 11 44.923 -0.095 13.056 1.00 0.00 N ATOM 620 CA GLY B 11 45.487 -1.400 12.740 1.00 0.00 C ATOM 621 C GLY B 11 45.788 -1.494 11.249 1.00 0.00 C ATOM 622 O GLY B 11 46.791 -2.079 10.835 1.00 0.00 O ATOM 0 H GLY B 11 43.975 -0.126 13.430 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.400 -1.559 13.314 1.00 0.00 H new ATOM 0 HA3 GLY B 11 44.789 -2.186 13.028 1.00 0.00 H new ATOM 626 N ILE B 12 44.908 -0.912 10.443 1.00 0.00 N ATOM 627 CA ILE B 12 45.096 -0.938 9.001 1.00 0.00 C ATOM 628 C ILE B 12 46.263 -0.025 8.603 1.00 0.00 C ATOM 629 O ILE B 12 46.878 -0.241 7.567 1.00 0.00 O ATOM 630 CB ILE B 12 43.791 -0.541 8.273 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.832 -1.748 8.182 1.00 0.00 C ATOM 632 CG2 ILE B 12 44.102 -0.061 6.848 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.192 -2.026 9.538 1.00 0.00 C ATOM 0 H ILE B 12 44.070 -0.424 10.759 1.00 0.00 H new ATOM 0 HA ILE B 12 45.345 -1.954 8.696 1.00 0.00 H new ATOM 0 HB ILE B 12 43.321 0.260 8.843 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.057 -1.549 7.442 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.378 -2.629 7.844 1.00 0.00 H new ATOM 0 HG21 ILE B 12 43.174 0.215 6.347 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.763 0.805 6.892 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.590 -0.862 6.293 1.00 0.00 H new ATOM 0 HD11 ILE B 12 41.519 -2.880 9.455 1.00 0.00 H new ATOM 0 HD12 ILE B 12 42.970 -2.247 10.269 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.629 -1.150 9.861 1.00 0.00 H new ATOM 645 N VAL B 13 46.573 0.986 9.420 1.00 0.00 N ATOM 646 CA VAL B 13 47.700 1.877 9.098 1.00 0.00 C ATOM 647 C VAL B 13 49.008 1.117 9.253 1.00 0.00 C ATOM 648 O VAL B 13 49.832 1.059 8.320 1.00 0.00 O ATOM 649 CB VAL B 13 47.713 3.102 10.018 1.00 0.00 C ATOM 650 CG1 VAL B 13 48.803 4.081 9.567 1.00 0.00 C ATOM 651 CG2 VAL B 13 46.362 3.807 9.956 1.00 0.00 C ATOM 0 H VAL B 13 46.079 1.207 10.285 1.00 0.00 H new ATOM 0 HA VAL B 13 47.585 2.218 8.069 1.00 0.00 H new ATOM 0 HB VAL B 13 47.913 2.773 11.038 1.00 0.00 H new ATOM 0 HG11 VAL B 13 48.807 4.950 10.225 1.00 0.00 H new ATOM 0 HG12 VAL B 13 49.775 3.589 9.610 1.00 0.00 H new ATOM 0 HG13 VAL B 13 48.604 4.402 8.544 1.00 0.00 H new ATOM 0 HG21 VAL B 13 46.375 4.678 10.612 1.00 0.00 H new ATOM 0 HG22 VAL B 13 46.165 4.126 8.933 1.00 0.00 H new ATOM 0 HG23 VAL B 13 45.579 3.121 10.279 1.00 0.00 H new ATOM 661 N VAL B 14 49.196 0.501 10.417 1.00 0.00 N ATOM 662 CA VAL B 14 50.406 -0.273 10.620 1.00 0.00 C ATOM 663 C VAL B 14 50.449 -1.348 9.544 1.00 0.00 C ATOM 664 O VAL B 14 51.508 -1.733 9.048 1.00 0.00 O ATOM 665 CB VAL B 14 50.430 -0.905 12.013 1.00 0.00 C ATOM 666 CG1 VAL B 14 49.121 -1.641 12.258 1.00 0.00 C ATOM 667 CG2 VAL B 14 51.598 -1.889 12.110 1.00 0.00 C ATOM 0 H VAL B 14 48.549 0.522 11.205 1.00 0.00 H new ATOM 0 HA VAL B 14 51.280 0.375 10.550 1.00 0.00 H new ATOM 0 HB VAL B 14 50.553 -0.124 12.764 1.00 0.00 H new ATOM 0 HG11 VAL B 14 49.137 -2.092 13.250 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.291 -0.938 12.192 1.00 0.00 H new ATOM 0 HG13 VAL B 14 48.996 -2.421 11.507 1.00 0.00 H new ATOM 0 HG21 VAL B 14 51.614 -2.338 13.103 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.478 -2.671 11.360 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.535 -1.360 11.936 1.00 0.00 H new ATOM 677 N GLY B 15 49.265 -1.800 9.163 1.00 0.00 N ATOM 678 CA GLY B 15 49.146 -2.799 8.124 1.00 0.00 C ATOM 679 C GLY B 15 49.485 -2.195 6.765 1.00 0.00 C ATOM 680 O GLY B 15 49.867 -2.907 5.849 1.00 0.00 O ATOM 0 H GLY B 15 48.378 -1.489 9.559 1.00 0.00 H new ATOM 0 HA2 GLY B 15 49.814 -3.634 8.335 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.132 -3.198 8.109 1.00 0.00 H new ATOM 684 N ASP B 16 49.314 -0.880 6.638 1.00 0.00 N ATOM 685 CA ASP B 16 49.575 -0.194 5.373 1.00 0.00 C ATOM 686 C ASP B 16 51.058 -0.154 5.047 1.00 0.00 C ATOM 687 O ASP B 16 51.490 -0.699 4.026 1.00 0.00 O ATOM 688 CB ASP B 16 49.041 1.240 5.427 1.00 0.00 C ATOM 689 CG ASP B 16 49.123 1.890 4.046 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.208 2.302 3.669 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.098 1.970 3.387 1.00 0.00 O ATOM 0 H ASP B 16 48.997 -0.270 7.392 1.00 0.00 H new ATOM 0 HA ASP B 16 49.063 -0.757 4.592 1.00 0.00 H new ATOM 0 HB2 ASP B 16 48.008 1.238 5.774 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.617 1.823 6.145 1.00 0.00 H new ATOM 696 N LEU B 17 51.858 0.490 5.898 1.00 0.00 N ATOM 697 CA LEU B 17 53.288 0.549 5.598 1.00 0.00 C ATOM 698 C LEU B 17 53.904 -0.851 5.708 1.00 0.00 C ATOM 699 O LEU B 17 54.917 -1.130 5.068 1.00 0.00 O ATOM 700 CB LEU B 17 54.031 1.640 6.423 1.00 0.00 C ATOM 701 CG LEU B 17 54.340 1.222 7.866 1.00 0.00 C ATOM 702 CD1 LEU B 17 53.056 0.772 8.558 1.00 0.00 C ATOM 703 CD2 LEU B 17 55.413 0.103 7.913 1.00 0.00 C ATOM 0 H LEU B 17 51.562 0.955 6.756 1.00 0.00 H new ATOM 0 HA LEU B 17 53.415 0.872 4.565 1.00 0.00 H new ATOM 0 HB2 LEU B 17 54.965 1.890 5.919 1.00 0.00 H new ATOM 0 HB3 LEU B 17 53.425 2.546 6.439 1.00 0.00 H new ATOM 0 HG LEU B 17 54.746 2.084 8.396 1.00 0.00 H new ATOM 0 HD11 LEU B 17 53.280 0.476 9.583 1.00 0.00 H new ATOM 0 HD12 LEU B 17 52.340 1.594 8.566 1.00 0.00 H new ATOM 0 HD13 LEU B 17 52.631 -0.075 8.020 1.00 0.00 H new ATOM 0 HD21 LEU B 17 55.609 -0.170 8.950 1.00 0.00 H new ATOM 0 HD22 LEU B 17 55.052 -0.770 7.370 1.00 0.00 H new ATOM 0 HD23 LEU B 17 56.333 0.462 7.452 1.00 0.00 H new ATOM 715 N VAL B 18 53.272 -1.752 6.477 1.00 0.00 N ATOM 716 CA VAL B 18 53.781 -3.121 6.578 1.00 0.00 C ATOM 717 C VAL B 18 53.555 -3.863 5.247 1.00 0.00 C ATOM 718 O VAL B 18 54.400 -4.646 4.821 1.00 0.00 O ATOM 719 CB VAL B 18 53.092 -3.885 7.737 1.00 0.00 C ATOM 720 CG1 VAL B 18 53.238 -5.404 7.544 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.742 -3.504 9.072 1.00 0.00 C ATOM 0 H VAL B 18 52.431 -1.562 7.022 1.00 0.00 H new ATOM 0 HA VAL B 18 54.850 -3.076 6.789 1.00 0.00 H new ATOM 0 HB VAL B 18 52.036 -3.615 7.740 1.00 0.00 H new ATOM 0 HG11 VAL B 18 52.748 -5.924 8.367 1.00 0.00 H new ATOM 0 HG12 VAL B 18 52.774 -5.697 6.602 1.00 0.00 H new ATOM 0 HG13 VAL B 18 54.295 -5.668 7.526 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.253 -4.045 9.882 1.00 0.00 H new ATOM 0 HG22 VAL B 18 54.800 -3.764 9.049 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.636 -2.432 9.235 1.00 0.00 H new ATOM 731 N LEU B 19 52.406 -3.629 4.604 1.00 0.00 N ATOM 732 CA LEU B 19 52.092 -4.303 3.335 1.00 0.00 C ATOM 733 C LEU B 19 53.048 -3.844 2.233 1.00 0.00 C ATOM 734 O LEU B 19 53.664 -4.664 1.542 1.00 0.00 O ATOM 735 CB LEU B 19 50.636 -3.990 2.930 1.00 0.00 C ATOM 736 CG LEU B 19 50.027 -5.145 2.131 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.559 -4.828 1.836 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.790 -5.326 0.818 1.00 0.00 C ATOM 0 H LEU B 19 51.685 -2.987 4.934 1.00 0.00 H new ATOM 0 HA LEU B 19 52.209 -5.378 3.469 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.038 -3.806 3.823 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.609 -3.077 2.335 1.00 0.00 H new ATOM 0 HG LEU B 19 50.095 -6.066 2.709 1.00 0.00 H new ATOM 0 HD11 LEU B 19 48.117 -5.646 1.267 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.018 -4.705 2.774 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.495 -3.907 1.257 1.00 0.00 H new ATOM 0 HD21 LEU B 19 50.352 -6.149 0.253 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.727 -4.410 0.231 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.835 -5.548 1.032 1.00 0.00 H new ATOM 750 N THR B 20 53.156 -2.528 2.071 1.00 0.00 N ATOM 751 CA THR B 20 54.025 -1.962 1.045 1.00 0.00 C ATOM 752 C THR B 20 55.469 -2.407 1.245 1.00 0.00 C ATOM 753 O THR B 20 56.127 -2.849 0.307 1.00 0.00 O ATOM 754 CB THR B 20 53.964 -0.434 1.091 1.00 0.00 C ATOM 755 OG1 THR B 20 52.610 -0.014 1.172 1.00 0.00 O ATOM 756 CG2 THR B 20 54.606 0.140 -0.172 1.00 0.00 C ATOM 0 H THR B 20 52.656 -1.839 2.633 1.00 0.00 H new ATOM 0 HA THR B 20 53.676 -2.319 0.076 1.00 0.00 H new ATOM 0 HB THR B 20 54.505 -0.075 1.967 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.576 0.947 1.363 1.00 0.00 H new ATOM 0 HG21 THR B 20 54.563 1.229 -0.140 1.00 0.00 H new ATOM 0 HG22 THR B 20 55.646 -0.180 -0.229 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.067 -0.219 -1.049 1.00 0.00 H new ATOM 764 N VAL B 21 55.957 -2.273 2.471 1.00 0.00 N ATOM 765 CA VAL B 21 57.330 -2.646 2.784 1.00 0.00 C ATOM 766 C VAL B 21 57.555 -4.149 2.625 1.00 0.00 C ATOM 767 O VAL B 21 58.589 -4.567 2.123 1.00 0.00 O ATOM 768 CB VAL B 21 57.664 -2.223 4.220 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.043 -2.759 4.615 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.673 -0.695 4.308 1.00 0.00 C ATOM 0 H VAL B 21 55.425 -1.910 3.262 1.00 0.00 H new ATOM 0 HA VAL B 21 57.987 -2.132 2.082 1.00 0.00 H new ATOM 0 HB VAL B 21 56.913 -2.629 4.897 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.273 -2.454 5.636 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.042 -3.847 4.552 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.797 -2.357 3.938 1.00 0.00 H new ATOM 0 HG21 VAL B 21 57.910 -0.391 5.327 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.424 -0.296 3.626 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.691 -0.309 4.033 1.00 0.00 H new ATOM 780 N LEU B 22 56.600 -4.951 3.081 1.00 0.00 N ATOM 781 CA LEU B 22 56.733 -6.406 3.009 1.00 0.00 C ATOM 782 C LEU B 22 56.943 -6.892 1.574 1.00 0.00 C ATOM 783 O LEU B 22 57.928 -7.578 1.284 1.00 0.00 O ATOM 784 CB LEU B 22 55.477 -7.065 3.603 1.00 0.00 C ATOM 785 CG LEU B 22 55.529 -8.593 3.433 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.829 -9.148 4.030 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.330 -9.216 4.153 1.00 0.00 C ATOM 0 H LEU B 22 55.730 -4.624 3.502 1.00 0.00 H new ATOM 0 HA LEU B 22 57.614 -6.690 3.584 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.395 -6.815 4.661 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.587 -6.670 3.113 1.00 0.00 H new ATOM 0 HG LEU B 22 55.496 -8.839 2.372 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.854 -10.230 3.904 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.683 -8.703 3.519 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.874 -8.905 5.092 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.359 -10.299 4.038 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.370 -8.963 5.212 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.406 -8.830 3.722 1.00 0.00 H new ATOM 799 N ILE B 23 56.023 -6.553 0.675 1.00 0.00 N ATOM 800 CA ILE B 23 56.156 -6.994 -0.710 1.00 0.00 C ATOM 801 C ILE B 23 57.376 -6.339 -1.354 1.00 0.00 C ATOM 802 O ILE B 23 58.143 -6.997 -2.062 1.00 0.00 O ATOM 803 CB ILE B 23 54.878 -6.685 -1.498 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.678 -7.261 -0.738 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.956 -7.348 -2.881 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.378 -6.828 -1.414 1.00 0.00 C ATOM 0 H ILE B 23 55.197 -5.988 0.873 1.00 0.00 H new ATOM 0 HA ILE B 23 56.302 -8.074 -0.725 1.00 0.00 H new ATOM 0 HB ILE B 23 54.769 -5.607 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.740 -8.349 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.692 -6.917 0.296 1.00 0.00 H new ATOM 0 HG21 ILE B 23 54.047 -7.128 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.819 -6.960 -3.422 1.00 0.00 H new ATOM 0 HG23 ILE B 23 55.057 -8.427 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.529 -7.241 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.314 -5.740 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.362 -7.194 -2.441 1.00 0.00 H new ATOM 818 N ALA B 24 57.575 -5.051 -1.081 1.00 0.00 N ATOM 819 CA ALA B 24 58.732 -4.345 -1.621 1.00 0.00 C ATOM 820 C ALA B 24 60.011 -5.084 -1.225 1.00 0.00 C ATOM 821 O ALA B 24 61.005 -5.085 -1.958 1.00 0.00 O ATOM 822 CB ALA B 24 58.776 -2.916 -1.077 1.00 0.00 C ATOM 0 H ALA B 24 56.960 -4.483 -0.498 1.00 0.00 H new ATOM 0 HA ALA B 24 58.652 -4.309 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.643 -2.398 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.868 -2.388 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.849 -2.943 0.010 1.00 0.00 H new ATOM 828 N LEU B 25 59.974 -5.716 -0.056 1.00 0.00 N ATOM 829 CA LEU B 25 61.122 -6.467 0.436 1.00 0.00 C ATOM 830 C LEU B 25 61.295 -7.727 -0.403 1.00 0.00 C ATOM 831 O LEU B 25 62.405 -8.076 -0.801 1.00 0.00 O ATOM 832 CB LEU B 25 60.910 -6.841 1.920 1.00 0.00 C ATOM 833 CG LEU B 25 62.250 -6.921 2.677 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.238 -7.813 1.915 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.852 -5.513 2.865 1.00 0.00 C ATOM 0 H LEU B 25 59.165 -5.723 0.565 1.00 0.00 H new ATOM 0 HA LEU B 25 62.020 -5.854 0.356 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.266 -6.101 2.395 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.396 -7.800 1.985 1.00 0.00 H new ATOM 0 HG LEU B 25 62.063 -7.355 3.659 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.180 -7.861 2.461 1.00 0.00 H new ATOM 0 HD12 LEU B 25 62.823 -8.816 1.819 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.414 -7.397 0.923 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.798 -5.590 3.401 1.00 0.00 H new ATOM 0 HD22 LEU B 25 63.024 -5.058 1.890 1.00 0.00 H new ATOM 0 HD23 LEU B 25 62.160 -4.895 3.437 1.00 0.00 H new ATOM 847 N ALA B 26 60.180 -8.405 -0.662 1.00 0.00 N ATOM 848 CA ALA B 26 60.208 -9.630 -1.450 1.00 0.00 C ATOM 849 C ALA B 26 60.934 -9.403 -2.772 1.00 0.00 C ATOM 850 O ALA B 26 61.850 -10.148 -3.119 1.00 0.00 O ATOM 851 CB ALA B 26 58.783 -10.110 -1.726 1.00 0.00 C ATOM 0 H ALA B 26 59.253 -8.128 -0.340 1.00 0.00 H new ATOM 0 HA ALA B 26 60.743 -10.390 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.815 -11.026 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA B 26 58.275 -10.304 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA B 26 58.241 -9.342 -2.278 1.00 0.00 H new ATOM 857 N VAL B 27 60.524 -8.373 -3.509 1.00 0.00 N ATOM 858 CA VAL B 27 61.161 -8.078 -4.791 1.00 0.00 C ATOM 859 C VAL B 27 62.631 -7.718 -4.594 1.00 0.00 C ATOM 860 O VAL B 27 63.487 -8.129 -5.377 1.00 0.00 O ATOM 861 CB VAL B 27 60.438 -6.926 -5.494 1.00 0.00 C ATOM 862 CG1 VAL B 27 59.044 -7.384 -5.925 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.301 -5.747 -4.535 1.00 0.00 C ATOM 0 H VAL B 27 59.768 -7.739 -3.248 1.00 0.00 H new ATOM 0 HA VAL B 27 61.098 -8.971 -5.412 1.00 0.00 H new ATOM 0 HB VAL B 27 61.013 -6.623 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.530 -6.563 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.134 -8.227 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.473 -7.688 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.786 -4.928 -5.037 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.728 -6.054 -3.660 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.291 -5.416 -4.222 1.00 0.00 H new ATOM 873 N TYR B 28 62.921 -6.944 -3.550 1.00 0.00 N ATOM 874 CA TYR B 28 64.296 -6.541 -3.280 1.00 0.00 C ATOM 875 C TYR B 28 65.199 -7.763 -3.121 1.00 0.00 C ATOM 876 O TYR B 28 66.277 -7.831 -3.713 1.00 0.00 O ATOM 877 CB TYR B 28 64.349 -5.695 -2.006 1.00 0.00 C ATOM 878 CG TYR B 28 65.782 -5.332 -1.696 1.00 0.00 C ATOM 879 CD1 TYR B 28 66.360 -4.201 -2.285 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.531 -6.125 -0.818 1.00 0.00 C ATOM 881 CE1 TYR B 28 67.688 -3.863 -1.996 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.858 -5.786 -0.529 1.00 0.00 C ATOM 883 CZ TYR B 28 68.438 -4.655 -1.118 1.00 0.00 C ATOM 884 OH TYR B 28 69.745 -4.321 -0.832 1.00 0.00 O ATOM 0 H TYR B 28 62.232 -6.589 -2.887 1.00 0.00 H new ATOM 0 HA TYR B 28 64.653 -5.952 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.754 -4.791 -2.133 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.915 -6.247 -1.173 1.00 0.00 H new ATOM 0 HD1 TYR B 28 65.782 -3.589 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR B 28 66.085 -6.998 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR B 28 68.134 -2.991 -2.451 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.435 -6.397 0.149 1.00 0.00 H new ATOM 0 HH TYR B 28 70.120 -4.974 -0.205 1.00 0.00 H new ATOM 894 N PHE B 29 64.753 -8.723 -2.318 1.00 0.00 N ATOM 895 CA PHE B 29 65.529 -9.938 -2.086 1.00 0.00 C ATOM 896 C PHE B 29 65.719 -10.718 -3.384 1.00 0.00 C ATOM 897 O PHE B 29 66.820 -11.176 -3.688 1.00 0.00 O ATOM 898 CB PHE B 29 64.817 -10.822 -1.060 1.00 0.00 C ATOM 899 CG PHE B 29 65.712 -11.978 -0.683 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.726 -11.797 0.267 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.530 -13.231 -1.281 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.555 -12.869 0.619 1.00 0.00 C ATOM 903 CE2 PHE B 29 66.360 -14.302 -0.929 1.00 0.00 C ATOM 904 CZ PHE B 29 67.373 -14.122 0.021 1.00 0.00 C ATOM 0 H PHE B 29 63.864 -8.685 -1.819 1.00 0.00 H new ATOM 0 HA PHE B 29 66.509 -9.650 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.566 -10.239 -0.174 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.879 -11.194 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.868 -10.831 0.728 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.749 -13.371 -2.014 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.335 -12.729 1.352 1.00 0.00 H new ATOM 0 HE2 PHE B 29 66.219 -15.268 -1.391 1.00 0.00 H new ATOM 0 HZ PHE B 29 68.013 -14.949 0.292 1.00 0.00 H new