USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 368 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.668 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= -1.34 USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLY A 7 36.836 9.645 8.498 1.00 0.00 N ATOM 77 CA GLY A 7 36.764 9.124 7.138 1.00 0.00 C ATOM 78 C GLY A 7 38.149 8.917 6.531 1.00 0.00 C ATOM 79 O GLY A 7 38.333 8.046 5.680 1.00 0.00 O ATOM 0 HA2 GLY A 7 36.224 8.177 7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.195 9.814 6.515 1.00 0.00 H new ATOM 83 N VAL A 8 39.117 9.723 6.954 1.00 0.00 N ATOM 84 CA VAL A 8 40.467 9.605 6.415 1.00 0.00 C ATOM 85 C VAL A 8 41.035 8.207 6.671 1.00 0.00 C ATOM 86 O VAL A 8 41.537 7.561 5.751 1.00 0.00 O ATOM 87 CB VAL A 8 41.382 10.676 7.024 1.00 0.00 C ATOM 88 CG1 VAL A 8 41.725 10.316 8.473 1.00 0.00 C ATOM 89 CG2 VAL A 8 42.672 10.768 6.203 1.00 0.00 C ATOM 0 H VAL A 8 38.996 10.453 7.656 1.00 0.00 H new ATOM 0 HA VAL A 8 40.419 9.760 5.337 1.00 0.00 H new ATOM 0 HB VAL A 8 40.865 11.636 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 8 42.375 11.083 8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 8 40.808 10.255 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.237 9.354 8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 8 43.324 11.528 6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 8 43.181 9.804 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 8 42.430 11.037 5.175 1.00 0.00 H new ATOM 99 N LEU A 9 40.932 7.732 7.912 1.00 0.00 N ATOM 100 CA LEU A 9 41.429 6.399 8.241 1.00 0.00 C ATOM 101 C LEU A 9 40.840 5.387 7.248 1.00 0.00 C ATOM 102 O LEU A 9 41.559 4.556 6.677 1.00 0.00 O ATOM 103 CB LEU A 9 41.031 6.034 9.693 1.00 0.00 C ATOM 104 CG LEU A 9 42.187 6.267 10.695 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.319 5.224 10.493 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.727 7.701 10.554 1.00 0.00 C ATOM 0 H LEU A 9 40.517 8.240 8.693 1.00 0.00 H new ATOM 0 HA LEU A 9 42.516 6.379 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.169 6.630 9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.725 4.989 9.732 1.00 0.00 H new ATOM 0 HG LEU A 9 41.800 6.140 11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.118 5.411 11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.921 4.221 10.647 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.713 5.307 9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.540 7.855 11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.097 7.853 9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 9 41.927 8.413 10.759 1.00 0.00 H new ATOM 118 N ALA A 10 39.533 5.482 7.023 1.00 0.00 N ATOM 119 CA ALA A 10 38.874 4.592 6.077 1.00 0.00 C ATOM 120 C ALA A 10 39.581 4.694 4.731 1.00 0.00 C ATOM 121 O ALA A 10 39.832 3.696 4.050 1.00 0.00 O ATOM 122 CB ALA A 10 37.404 4.988 5.923 1.00 0.00 C ATOM 0 H ALA A 10 38.917 6.157 7.477 1.00 0.00 H new ATOM 0 HA ALA A 10 38.922 3.566 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 10 36.919 4.317 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 10 36.905 4.917 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.340 6.012 5.556 1.00 0.00 H new ATOM 128 N GLY A 11 39.922 5.918 4.365 1.00 0.00 N ATOM 129 CA GLY A 11 40.617 6.156 3.113 1.00 0.00 C ATOM 130 C GLY A 11 41.948 5.419 3.102 1.00 0.00 C ATOM 131 O GLY A 11 42.436 5.009 2.045 1.00 0.00 O ATOM 0 H GLY A 11 39.730 6.757 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.001 5.822 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 11 40.784 7.225 2.979 1.00 0.00 H new ATOM 135 N ILE A 12 42.539 5.241 4.283 1.00 0.00 N ATOM 136 CA ILE A 12 43.815 4.545 4.355 1.00 0.00 C ATOM 137 C ILE A 12 43.633 3.065 4.051 1.00 0.00 C ATOM 138 O ILE A 12 44.430 2.488 3.317 1.00 0.00 O ATOM 139 CB ILE A 12 44.479 4.722 5.723 1.00 0.00 C ATOM 140 CG1 ILE A 12 44.611 6.222 6.049 1.00 0.00 C ATOM 141 CG2 ILE A 12 45.869 4.061 5.714 1.00 0.00 C ATOM 142 CD1 ILE A 12 45.371 6.963 4.940 1.00 0.00 C ATOM 0 H ILE A 12 42.165 5.560 5.177 1.00 0.00 H new ATOM 0 HA ILE A 12 44.471 4.986 3.604 1.00 0.00 H new ATOM 0 HB ILE A 12 43.863 4.246 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 12 43.620 6.660 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.133 6.347 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.339 4.189 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.765 2.998 5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.489 4.528 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 12 45.449 8.020 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 12 46.370 6.539 4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 12 44.834 6.857 3.997 1.00 0.00 H new ATOM 154 N VAL A 13 42.586 2.445 4.594 1.00 0.00 N ATOM 155 CA VAL A 13 42.379 1.024 4.304 1.00 0.00 C ATOM 156 C VAL A 13 42.269 0.859 2.792 1.00 0.00 C ATOM 157 O VAL A 13 42.858 -0.053 2.203 1.00 0.00 O ATOM 158 CB VAL A 13 41.135 0.428 5.030 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.859 1.187 6.328 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.878 0.479 4.141 1.00 0.00 C ATOM 0 H VAL A 13 41.896 2.877 5.209 1.00 0.00 H new ATOM 0 HA VAL A 13 43.231 0.463 4.687 1.00 0.00 H new ATOM 0 HB VAL A 13 41.362 -0.615 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.987 0.758 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.724 1.109 6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.668 2.236 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.032 0.055 4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.659 1.514 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.052 -0.096 3.231 1.00 0.00 H new ATOM 170 N VAL A 14 41.542 1.772 2.156 1.00 0.00 N ATOM 171 CA VAL A 14 41.414 1.715 0.710 1.00 0.00 C ATOM 172 C VAL A 14 42.810 1.708 0.101 1.00 0.00 C ATOM 173 O VAL A 14 43.101 0.941 -0.819 1.00 0.00 O ATOM 174 CB VAL A 14 40.621 2.918 0.198 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.547 2.873 -1.330 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.207 2.875 0.782 1.00 0.00 C ATOM 0 H VAL A 14 41.045 2.540 2.607 1.00 0.00 H new ATOM 0 HA VAL A 14 40.878 0.810 0.423 1.00 0.00 H new ATOM 0 HB VAL A 14 41.116 3.839 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 14 39.981 3.731 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.555 2.902 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.052 1.954 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.638 3.731 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.713 1.954 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.262 2.910 1.870 1.00 0.00 H new ATOM 186 N GLY A 15 43.680 2.555 0.647 1.00 0.00 N ATOM 187 CA GLY A 15 45.058 2.630 0.175 1.00 0.00 C ATOM 188 C GLY A 15 45.771 1.294 0.379 1.00 0.00 C ATOM 189 O GLY A 15 46.631 0.912 -0.414 1.00 0.00 O ATOM 0 H GLY A 15 43.457 3.194 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.072 2.898 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.589 3.417 0.710 1.00 0.00 H new ATOM 193 N ASP A 16 45.404 0.586 1.447 1.00 0.00 N ATOM 194 CA ASP A 16 46.011 -0.708 1.742 1.00 0.00 C ATOM 195 C ASP A 16 45.786 -1.663 0.580 1.00 0.00 C ATOM 196 O ASP A 16 46.726 -2.287 0.077 1.00 0.00 O ATOM 197 CB ASP A 16 45.396 -1.297 3.014 1.00 0.00 C ATOM 198 CG ASP A 16 46.248 -2.453 3.521 1.00 0.00 C ATOM 199 OD1 ASP A 16 46.047 -3.560 3.049 1.00 0.00 O ATOM 200 OD2 ASP A 16 47.083 -2.217 4.376 1.00 0.00 O ATOM 0 H ASP A 16 44.695 0.885 2.116 1.00 0.00 H new ATOM 0 HA ASP A 16 47.082 -0.568 1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.321 -0.527 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.383 -1.644 2.810 1.00 0.00 H new ATOM 205 N LEU A 17 44.534 -1.765 0.149 1.00 0.00 N ATOM 206 CA LEU A 17 44.201 -2.644 -0.966 1.00 0.00 C ATOM 207 C LEU A 17 44.945 -2.194 -2.224 1.00 0.00 C ATOM 208 O LEU A 17 45.429 -3.019 -3.005 1.00 0.00 O ATOM 209 CB LEU A 17 42.684 -2.626 -1.216 1.00 0.00 C ATOM 210 CG LEU A 17 41.979 -3.563 -0.228 1.00 0.00 C ATOM 211 CD1 LEU A 17 42.197 -3.064 1.200 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.480 -3.588 -0.531 1.00 0.00 C ATOM 0 H LEU A 17 43.743 -1.258 0.547 1.00 0.00 H new ATOM 0 HA LEU A 17 44.505 -3.661 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.301 -1.612 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.472 -2.937 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 17 42.391 -4.567 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.695 -3.732 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.264 -3.045 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.788 -2.059 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.978 -4.254 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.072 -2.582 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.320 -3.946 -1.548 1.00 0.00 H new ATOM 224 N VAL A 18 45.036 -0.879 -2.408 1.00 0.00 N ATOM 225 CA VAL A 18 45.724 -0.326 -3.571 1.00 0.00 C ATOM 226 C VAL A 18 47.183 -0.783 -3.605 1.00 0.00 C ATOM 227 O VAL A 18 47.701 -1.122 -4.665 1.00 0.00 O ATOM 228 CB VAL A 18 45.657 1.205 -3.542 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.527 1.785 -4.663 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.208 1.655 -3.743 1.00 0.00 C ATOM 0 H VAL A 18 44.646 -0.182 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 18 45.226 -0.690 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 18 46.023 1.562 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.475 2.873 -4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.560 1.467 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.165 1.427 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.159 2.744 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.845 1.293 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.587 1.249 -2.945 1.00 0.00 H new ATOM 240 N LEU A 19 47.842 -0.782 -2.449 1.00 0.00 N ATOM 241 CA LEU A 19 49.245 -1.196 -2.378 1.00 0.00 C ATOM 242 C LEU A 19 49.401 -2.674 -2.714 1.00 0.00 C ATOM 243 O LEU A 19 50.303 -3.057 -3.455 1.00 0.00 O ATOM 244 CB LEU A 19 49.792 -0.955 -0.971 1.00 0.00 C ATOM 245 CG LEU A 19 49.927 0.553 -0.700 1.00 0.00 C ATOM 246 CD1 LEU A 19 49.984 0.786 0.809 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.211 1.105 -1.341 1.00 0.00 C ATOM 0 H LEU A 19 47.435 -0.503 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 19 49.801 -0.604 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 19 49.128 -1.406 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.763 -1.439 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 19 49.068 1.066 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.080 1.853 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.070 0.411 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.843 0.260 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.289 2.173 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.077 0.592 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.179 0.942 -2.418 1.00 0.00 H new ATOM 259 N THR A 20 48.537 -3.507 -2.149 1.00 0.00 N ATOM 260 CA THR A 20 48.627 -4.942 -2.392 1.00 0.00 C ATOM 261 C THR A 20 48.567 -5.251 -3.886 1.00 0.00 C ATOM 262 O THR A 20 49.434 -5.946 -4.424 1.00 0.00 O ATOM 263 CB THR A 20 47.481 -5.662 -1.677 1.00 0.00 C ATOM 264 OG1 THR A 20 47.396 -5.199 -0.337 1.00 0.00 O ATOM 265 CG2 THR A 20 47.741 -7.169 -1.684 1.00 0.00 C ATOM 0 H THR A 20 47.778 -3.222 -1.530 1.00 0.00 H new ATOM 0 HA THR A 20 49.583 -5.292 -2.004 1.00 0.00 H new ATOM 0 HB THR A 20 46.543 -5.456 -2.192 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.662 -5.658 0.122 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.925 -7.681 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.805 -7.522 -2.713 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.679 -7.379 -1.169 1.00 0.00 H new ATOM 273 N VAL A 21 47.539 -4.739 -4.549 1.00 0.00 N ATOM 274 CA VAL A 21 47.368 -4.980 -5.979 1.00 0.00 C ATOM 275 C VAL A 21 48.396 -4.212 -6.812 1.00 0.00 C ATOM 276 O VAL A 21 48.729 -4.625 -7.920 1.00 0.00 O ATOM 277 CB VAL A 21 45.957 -4.575 -6.407 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.787 -4.823 -7.907 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.932 -5.410 -5.636 1.00 0.00 C ATOM 0 H VAL A 21 46.815 -4.158 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 21 47.521 -6.045 -6.156 1.00 0.00 H new ATOM 0 HB VAL A 21 45.803 -3.517 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.781 -4.534 -8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.517 -4.231 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.941 -5.881 -8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.926 -5.122 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 21 45.088 -6.467 -5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 21 45.051 -5.236 -4.567 1.00 0.00 H new ATOM 289 N LEU A 22 48.877 -3.088 -6.290 1.00 0.00 N ATOM 290 CA LEU A 22 49.846 -2.273 -7.024 1.00 0.00 C ATOM 291 C LEU A 22 51.221 -2.933 -7.075 1.00 0.00 C ATOM 292 O LEU A 22 51.806 -3.061 -8.147 1.00 0.00 O ATOM 293 CB LEU A 22 49.960 -0.883 -6.383 1.00 0.00 C ATOM 294 CG LEU A 22 51.051 -0.051 -7.079 1.00 0.00 C ATOM 295 CD1 LEU A 22 50.797 0.004 -8.592 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.034 1.372 -6.508 1.00 0.00 C ATOM 0 H LEU A 22 48.618 -2.722 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 22 49.484 -2.176 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.003 -0.366 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.193 -0.984 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 22 52.022 -0.515 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 22 51.577 0.596 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 22 50.807 -1.007 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 22 49.826 0.462 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.805 1.969 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.058 1.824 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.227 1.336 -5.436 1.00 0.00 H new ATOM 308 N ILE A 23 51.746 -3.340 -5.921 1.00 0.00 N ATOM 309 CA ILE A 23 53.060 -3.969 -5.891 1.00 0.00 C ATOM 310 C ILE A 23 52.983 -5.352 -6.523 1.00 0.00 C ATOM 311 O ILE A 23 53.908 -5.774 -7.206 1.00 0.00 O ATOM 312 CB ILE A 23 53.596 -4.100 -4.457 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.432 -2.767 -3.684 1.00 0.00 C ATOM 314 CG2 ILE A 23 55.082 -4.513 -4.506 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.546 -1.772 -4.034 1.00 0.00 C ATOM 0 H ILE A 23 51.291 -3.247 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 23 53.743 -3.333 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 23 53.023 -4.864 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.463 -2.327 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.442 -2.964 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.467 -4.607 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 23 55.177 -5.469 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.653 -3.755 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.399 -0.849 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.513 -2.203 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.519 -1.556 -5.102 1.00 0.00 H new ATOM 327 N ALA A 24 51.881 -6.060 -6.288 1.00 0.00 N ATOM 328 CA ALA A 24 51.720 -7.398 -6.846 1.00 0.00 C ATOM 329 C ALA A 24 51.590 -7.347 -8.367 1.00 0.00 C ATOM 330 O ALA A 24 52.197 -8.149 -9.077 1.00 0.00 O ATOM 331 CB ALA A 24 50.482 -8.067 -6.248 1.00 0.00 C ATOM 0 H ALA A 24 51.097 -5.735 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 24 52.608 -7.979 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 24 50.369 -9.066 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 24 50.595 -8.140 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.599 -7.472 -6.481 1.00 0.00 H new ATOM 337 N LEU A 25 50.797 -6.405 -8.864 1.00 0.00 N ATOM 338 CA LEU A 25 50.604 -6.268 -10.303 1.00 0.00 C ATOM 339 C LEU A 25 51.863 -5.704 -10.953 1.00 0.00 C ATOM 340 O LEU A 25 52.185 -6.023 -12.098 1.00 0.00 O ATOM 341 CB LEU A 25 49.410 -5.343 -10.581 1.00 0.00 C ATOM 342 CG LEU A 25 49.237 -5.113 -12.091 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.114 -6.456 -12.826 1.00 0.00 C ATOM 344 CD2 LEU A 25 47.967 -4.285 -12.321 1.00 0.00 C ATOM 0 H LEU A 25 50.282 -5.731 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 25 50.402 -7.251 -10.728 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.501 -5.781 -10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.560 -4.388 -10.078 1.00 0.00 H new ATOM 0 HG LEU A 25 50.108 -4.583 -12.478 1.00 0.00 H new ATOM 0 HD11 LEU A 25 48.992 -6.276 -13.894 1.00 0.00 H new ATOM 0 HD12 LEU A 25 50.015 -7.047 -12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.248 -6.999 -12.448 1.00 0.00 H new ATOM 0 HD21 LEU A 25 47.832 -4.114 -13.389 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.105 -4.824 -11.928 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.060 -3.327 -11.809 1.00 0.00 H new ATOM 356 N ALA A 26 52.559 -4.852 -10.212 1.00 0.00 N ATOM 357 CA ALA A 26 53.775 -4.223 -10.708 1.00 0.00 C ATOM 358 C ALA A 26 54.920 -5.224 -10.826 1.00 0.00 C ATOM 359 O ALA A 26 55.578 -5.299 -11.864 1.00 0.00 O ATOM 360 CB ALA A 26 54.190 -3.091 -9.764 1.00 0.00 C ATOM 0 H ALA A 26 52.301 -4.580 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 26 53.564 -3.829 -11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.100 -2.622 -10.137 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.393 -2.349 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.372 -3.496 -8.768 1.00 0.00 H new ATOM 366 N VAL A 27 55.175 -5.978 -9.760 1.00 0.00 N ATOM 367 CA VAL A 27 56.265 -6.944 -9.778 1.00 0.00 C ATOM 368 C VAL A 27 55.963 -8.103 -10.720 1.00 0.00 C ATOM 369 O VAL A 27 56.834 -8.543 -11.470 1.00 0.00 O ATOM 370 CB VAL A 27 56.506 -7.472 -8.363 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.809 -6.292 -7.423 1.00 0.00 C ATOM 372 CG2 VAL A 27 55.259 -8.238 -7.875 1.00 0.00 C ATOM 0 H VAL A 27 54.650 -5.939 -8.886 1.00 0.00 H new ATOM 0 HA VAL A 27 57.161 -6.441 -10.141 1.00 0.00 H new ATOM 0 HB VAL A 27 57.357 -8.153 -8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.981 -6.666 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.698 -5.768 -7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.962 -5.606 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.434 -8.613 -6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 27 54.399 -7.568 -7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.061 -9.075 -8.544 1.00 0.00 H new ATOM 382 N TYR A 28 54.731 -8.599 -10.680 1.00 0.00 N ATOM 383 CA TYR A 28 54.349 -9.712 -11.541 1.00 0.00 C ATOM 384 C TYR A 28 54.444 -9.314 -13.011 1.00 0.00 C ATOM 385 O TYR A 28 54.993 -10.052 -13.830 1.00 0.00 O ATOM 386 CB TYR A 28 52.921 -10.161 -11.226 1.00 0.00 C ATOM 387 CG TYR A 28 52.645 -11.470 -11.925 1.00 0.00 C ATOM 388 CD1 TYR A 28 53.033 -12.676 -11.329 1.00 0.00 C ATOM 389 CD2 TYR A 28 52.007 -11.479 -13.172 1.00 0.00 C ATOM 390 CE1 TYR A 28 52.782 -13.891 -11.977 1.00 0.00 C ATOM 391 CE2 TYR A 28 51.757 -12.695 -13.821 1.00 0.00 C ATOM 392 CZ TYR A 28 52.144 -13.901 -13.224 1.00 0.00 C ATOM 393 OH TYR A 28 51.897 -15.098 -13.863 1.00 0.00 O ATOM 0 H TYR A 28 53.990 -8.254 -10.070 1.00 0.00 H new ATOM 0 HA TYR A 28 55.037 -10.537 -11.353 1.00 0.00 H new ATOM 0 HB2 TYR A 28 52.793 -10.276 -10.150 1.00 0.00 H new ATOM 0 HB3 TYR A 28 52.209 -9.403 -11.553 1.00 0.00 H new ATOM 0 HD1 TYR A 28 53.526 -12.669 -10.368 1.00 0.00 H new ATOM 0 HD2 TYR A 28 51.708 -10.549 -13.633 1.00 0.00 H new ATOM 0 HE1 TYR A 28 53.080 -14.821 -11.516 1.00 0.00 H new ATOM 0 HE2 TYR A 28 51.265 -12.702 -14.783 1.00 0.00 H new ATOM 0 HH TYR A 28 51.447 -14.926 -14.717 1.00 0.00 H new ATOM 403 N PHE A 29 53.898 -8.148 -13.343 1.00 0.00 N ATOM 404 CA PHE A 29 53.919 -7.670 -14.722 1.00 0.00 C ATOM 405 C PHE A 29 55.348 -7.415 -15.196 1.00 0.00 C ATOM 406 O PHE A 29 55.767 -7.939 -16.226 1.00 0.00 O ATOM 407 CB PHE A 29 53.103 -6.380 -14.837 1.00 0.00 C ATOM 408 CG PHE A 29 53.178 -5.857 -16.253 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.420 -6.463 -17.262 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.007 -4.769 -16.557 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.490 -5.981 -18.575 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.076 -4.287 -17.869 1.00 0.00 C ATOM 413 CZ PHE A 29 53.318 -4.893 -18.879 1.00 0.00 C ATOM 0 H PHE A 29 53.439 -7.521 -12.682 1.00 0.00 H new ATOM 0 HA PHE A 29 53.480 -8.442 -15.354 1.00 0.00 H new ATOM 0 HB2 PHE A 29 52.065 -6.569 -14.563 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.485 -5.633 -14.142 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.781 -7.302 -17.028 1.00 0.00 H new ATOM 0 HD2 PHE A 29 54.593 -4.302 -15.779 1.00 0.00 H new ATOM 0 HE1 PHE A 29 51.905 -6.448 -19.353 1.00 0.00 H new ATOM 0 HE2 PHE A 29 54.714 -3.447 -18.103 1.00 0.00 H new ATOM 0 HZ PHE A 29 53.372 -4.522 -19.892 1.00 0.00 H new ATOM 567 N GLY B 7 40.491 3.008 16.205 1.00 0.00 N ATOM 568 CA GLY B 7 41.718 2.315 16.579 1.00 0.00 C ATOM 569 C GLY B 7 42.034 1.185 15.606 1.00 0.00 C ATOM 570 O GLY B 7 43.185 0.997 15.205 1.00 0.00 O ATOM 0 HA2 GLY B 7 42.547 3.023 16.599 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.618 1.913 17.587 1.00 0.00 H new ATOM 574 N VAL B 8 41.007 0.430 15.237 1.00 0.00 N ATOM 575 CA VAL B 8 41.190 -0.685 14.321 1.00 0.00 C ATOM 576 C VAL B 8 41.797 -0.208 13.001 1.00 0.00 C ATOM 577 O VAL B 8 42.721 -0.839 12.471 1.00 0.00 O ATOM 578 CB VAL B 8 39.849 -1.398 14.086 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.759 -0.375 13.762 1.00 0.00 C ATOM 580 CG2 VAL B 8 39.980 -2.392 12.925 1.00 0.00 C ATOM 0 H VAL B 8 40.048 0.568 15.555 1.00 0.00 H new ATOM 0 HA VAL B 8 41.885 -1.396 14.768 1.00 0.00 H new ATOM 0 HB VAL B 8 39.576 -1.937 14.993 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.813 -0.891 13.597 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.653 0.320 14.595 1.00 0.00 H new ATOM 0 HG13 VAL B 8 39.033 0.176 12.862 1.00 0.00 H new ATOM 0 HG21 VAL B 8 39.025 -2.893 12.765 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.265 -1.858 12.019 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.743 -3.133 13.165 1.00 0.00 H new ATOM 590 N LEU B 9 41.305 0.905 12.465 1.00 0.00 N ATOM 591 CA LEU B 9 41.863 1.391 11.221 1.00 0.00 C ATOM 592 C LEU B 9 43.318 1.796 11.435 1.00 0.00 C ATOM 593 O LEU B 9 44.157 1.587 10.561 1.00 0.00 O ATOM 594 CB LEU B 9 41.054 2.560 10.661 1.00 0.00 C ATOM 595 CG LEU B 9 39.554 2.197 10.518 1.00 0.00 C ATOM 596 CD1 LEU B 9 38.848 3.212 9.594 1.00 0.00 C ATOM 597 CD2 LEU B 9 39.381 0.789 9.922 1.00 0.00 C ATOM 0 H LEU B 9 40.549 1.465 12.859 1.00 0.00 H new ATOM 0 HA LEU B 9 41.818 0.586 10.487 1.00 0.00 H new ATOM 0 HB2 LEU B 9 41.159 3.424 11.317 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.454 2.848 9.689 1.00 0.00 H new ATOM 0 HG LEU B 9 39.111 2.223 11.513 1.00 0.00 H new ATOM 0 HD11 LEU B 9 37.795 2.948 9.500 1.00 0.00 H new ATOM 0 HD12 LEU B 9 38.935 4.212 10.019 1.00 0.00 H new ATOM 0 HD13 LEU B 9 39.315 3.194 8.609 1.00 0.00 H new ATOM 0 HD21 LEU B 9 38.319 0.560 9.833 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.845 0.752 8.936 1.00 0.00 H new ATOM 0 HD23 LEU B 9 39.857 0.057 10.575 1.00 0.00 H new ATOM 609 N ALA B 10 43.631 2.335 12.614 1.00 0.00 N ATOM 610 CA ALA B 10 45.013 2.699 12.904 1.00 0.00 C ATOM 611 C ALA B 10 45.876 1.459 12.726 1.00 0.00 C ATOM 612 O ALA B 10 46.977 1.504 12.176 1.00 0.00 O ATOM 613 CB ALA B 10 45.147 3.226 14.334 1.00 0.00 C ATOM 0 H ALA B 10 42.965 2.524 13.363 1.00 0.00 H new ATOM 0 HA ALA B 10 45.334 3.489 12.225 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.186 3.491 14.528 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.518 4.108 14.457 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.832 2.455 15.037 1.00 0.00 H new ATOM 619 N GLY B 11 45.344 0.332 13.169 1.00 0.00 N ATOM 620 CA GLY B 11 46.055 -0.924 13.024 1.00 0.00 C ATOM 621 C GLY B 11 46.284 -1.212 11.545 1.00 0.00 C ATOM 622 O GLY B 11 47.317 -1.759 11.149 1.00 0.00 O ATOM 0 H GLY B 11 44.435 0.262 13.626 1.00 0.00 H new ATOM 0 HA2 GLY B 11 47.010 -0.876 13.548 1.00 0.00 H new ATOM 0 HA3 GLY B 11 45.482 -1.733 13.478 1.00 0.00 H new ATOM 626 N ILE B 12 45.300 -0.845 10.727 1.00 0.00 N ATOM 627 CA ILE B 12 45.400 -1.081 9.291 1.00 0.00 C ATOM 628 C ILE B 12 46.455 -0.166 8.640 1.00 0.00 C ATOM 629 O ILE B 12 47.067 -0.566 7.657 1.00 0.00 O ATOM 630 CB ILE B 12 44.015 -0.907 8.612 1.00 0.00 C ATOM 631 CG1 ILE B 12 43.189 -2.212 8.700 1.00 0.00 C ATOM 632 CG2 ILE B 12 44.178 -0.542 7.130 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.712 -2.464 10.134 1.00 0.00 C ATOM 0 H ILE B 12 44.438 -0.390 11.028 1.00 0.00 H new ATOM 0 HA ILE B 12 45.727 -2.110 9.143 1.00 0.00 H new ATOM 0 HB ILE B 12 43.496 -0.105 9.138 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.329 -2.148 8.033 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.794 -3.053 8.361 1.00 0.00 H new ATOM 0 HG21 ILE B 12 43.195 -0.425 6.674 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.732 0.393 7.044 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.723 -1.335 6.618 1.00 0.00 H new ATOM 0 HD11 ILE B 12 42.134 -3.387 10.168 1.00 0.00 H new ATOM 0 HD12 ILE B 12 43.575 -2.551 10.794 1.00 0.00 H new ATOM 0 HD13 ILE B 12 42.088 -1.633 10.461 1.00 0.00 H new ATOM 645 N VAL B 13 46.673 1.055 9.157 1.00 0.00 N ATOM 646 CA VAL B 13 47.680 1.934 8.534 1.00 0.00 C ATOM 647 C VAL B 13 49.090 1.439 8.845 1.00 0.00 C ATOM 648 O VAL B 13 49.949 1.410 7.965 1.00 0.00 O ATOM 649 CB VAL B 13 47.503 3.413 8.940 1.00 0.00 C ATOM 650 CG1 VAL B 13 46.010 3.729 9.051 1.00 0.00 C ATOM 651 CG2 VAL B 13 48.211 3.723 10.273 1.00 0.00 C ATOM 0 H VAL B 13 46.191 1.444 9.967 1.00 0.00 H new ATOM 0 HA VAL B 13 47.527 1.888 7.456 1.00 0.00 H new ATOM 0 HB VAL B 13 47.960 4.039 8.173 1.00 0.00 H new ATOM 0 HG11 VAL B 13 45.879 4.772 9.338 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.529 3.554 8.089 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.557 3.086 9.806 1.00 0.00 H new ATOM 0 HG21 VAL B 13 48.065 4.773 10.527 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.793 3.097 11.061 1.00 0.00 H new ATOM 0 HG23 VAL B 13 49.277 3.518 10.175 1.00 0.00 H new ATOM 661 N VAL B 14 49.338 1.013 10.077 1.00 0.00 N ATOM 662 CA VAL B 14 50.665 0.498 10.375 1.00 0.00 C ATOM 663 C VAL B 14 50.888 -0.731 9.501 1.00 0.00 C ATOM 664 O VAL B 14 51.984 -0.958 8.973 1.00 0.00 O ATOM 665 CB VAL B 14 50.804 0.151 11.861 1.00 0.00 C ATOM 666 CG1 VAL B 14 49.632 -0.721 12.297 1.00 0.00 C ATOM 667 CG2 VAL B 14 52.118 -0.601 12.090 1.00 0.00 C ATOM 0 H VAL B 14 48.674 1.012 10.851 1.00 0.00 H new ATOM 0 HA VAL B 14 51.419 1.255 10.161 1.00 0.00 H new ATOM 0 HB VAL B 14 50.805 1.070 12.448 1.00 0.00 H new ATOM 0 HG11 VAL B 14 49.734 -0.966 13.354 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.698 -0.182 12.138 1.00 0.00 H new ATOM 0 HG13 VAL B 14 49.624 -1.640 11.711 1.00 0.00 H new ATOM 0 HG21 VAL B 14 52.217 -0.848 13.147 1.00 0.00 H new ATOM 0 HG22 VAL B 14 52.119 -1.519 11.502 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.955 0.027 11.784 1.00 0.00 H new ATOM 677 N GLY B 15 49.816 -1.501 9.324 1.00 0.00 N ATOM 678 CA GLY B 15 49.870 -2.688 8.486 1.00 0.00 C ATOM 679 C GLY B 15 50.061 -2.307 7.019 1.00 0.00 C ATOM 680 O GLY B 15 50.643 -3.066 6.252 1.00 0.00 O ATOM 0 H GLY B 15 48.906 -1.322 9.749 1.00 0.00 H new ATOM 0 HA2 GLY B 15 50.689 -3.330 8.809 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.951 -3.262 8.601 1.00 0.00 H new ATOM 684 N ASP B 16 49.563 -1.129 6.637 1.00 0.00 N ATOM 685 CA ASP B 16 49.685 -0.660 5.258 1.00 0.00 C ATOM 686 C ASP B 16 51.154 -0.452 4.913 1.00 0.00 C ATOM 687 O ASP B 16 51.643 -0.934 3.886 1.00 0.00 O ATOM 688 CB ASP B 16 48.905 0.652 5.088 1.00 0.00 C ATOM 689 CG ASP B 16 49.123 1.240 3.700 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.270 1.414 3.323 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.136 1.522 3.040 1.00 0.00 O ATOM 0 H ASP B 16 49.074 -0.487 7.260 1.00 0.00 H new ATOM 0 HA ASP B 16 49.269 -1.407 4.582 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.842 0.471 5.247 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.223 1.369 5.845 1.00 0.00 H new ATOM 696 N LEU B 17 51.859 0.253 5.789 1.00 0.00 N ATOM 697 CA LEU B 17 53.278 0.500 5.576 1.00 0.00 C ATOM 698 C LEU B 17 54.014 -0.833 5.498 1.00 0.00 C ATOM 699 O LEU B 17 54.858 -1.048 4.619 1.00 0.00 O ATOM 700 CB LEU B 17 53.835 1.341 6.735 1.00 0.00 C ATOM 701 CG LEU B 17 53.275 2.794 6.667 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.794 3.244 8.055 1.00 0.00 C ATOM 703 CD2 LEU B 17 54.366 3.762 6.183 1.00 0.00 C ATOM 0 H LEU B 17 51.477 0.659 6.643 1.00 0.00 H new ATOM 0 HA LEU B 17 53.420 1.045 4.643 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.565 0.884 7.687 1.00 0.00 H new ATOM 0 HB3 LEU B 17 54.924 1.361 6.688 1.00 0.00 H new ATOM 0 HG LEU B 17 52.439 2.804 5.968 1.00 0.00 H new ATOM 0 HD11 LEU B 17 52.405 4.260 7.993 1.00 0.00 H new ATOM 0 HD12 LEU B 17 52.007 2.575 8.402 1.00 0.00 H new ATOM 0 HD13 LEU B 17 53.628 3.216 8.756 1.00 0.00 H new ATOM 0 HD21 LEU B 17 53.962 4.773 6.140 1.00 0.00 H new ATOM 0 HD22 LEU B 17 55.208 3.737 6.875 1.00 0.00 H new ATOM 0 HD23 LEU B 17 54.703 3.463 5.190 1.00 0.00 H new ATOM 715 N VAL B 18 53.671 -1.732 6.416 1.00 0.00 N ATOM 716 CA VAL B 18 54.288 -3.052 6.440 1.00 0.00 C ATOM 717 C VAL B 18 53.931 -3.834 5.176 1.00 0.00 C ATOM 718 O VAL B 18 54.656 -4.740 4.780 1.00 0.00 O ATOM 719 CB VAL B 18 53.819 -3.829 7.671 1.00 0.00 C ATOM 720 CG1 VAL B 18 54.422 -5.236 7.646 1.00 0.00 C ATOM 721 CG2 VAL B 18 54.278 -3.103 8.938 1.00 0.00 C ATOM 0 H VAL B 18 52.976 -1.572 7.146 1.00 0.00 H new ATOM 0 HA VAL B 18 55.370 -2.924 6.483 1.00 0.00 H new ATOM 0 HB VAL B 18 52.731 -3.898 7.664 1.00 0.00 H new ATOM 0 HG11 VAL B 18 54.088 -5.791 8.523 1.00 0.00 H new ATOM 0 HG12 VAL B 18 54.098 -5.755 6.744 1.00 0.00 H new ATOM 0 HG13 VAL B 18 55.510 -5.166 7.653 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.944 -3.656 9.816 1.00 0.00 H new ATOM 0 HG22 VAL B 18 55.366 -3.035 8.944 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.851 -2.100 8.957 1.00 0.00 H new ATOM 731 N LEU B 19 52.808 -3.484 4.555 1.00 0.00 N ATOM 732 CA LEU B 19 52.363 -4.170 3.345 1.00 0.00 C ATOM 733 C LEU B 19 53.275 -3.818 2.172 1.00 0.00 C ATOM 734 O LEU B 19 53.743 -4.699 1.446 1.00 0.00 O ATOM 735 CB LEU B 19 50.903 -3.770 3.039 1.00 0.00 C ATOM 736 CG LEU B 19 50.131 -4.947 2.433 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.661 -4.564 2.283 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.707 -5.288 1.062 1.00 0.00 C ATOM 0 H LEU B 19 52.192 -2.733 4.867 1.00 0.00 H new ATOM 0 HA LEU B 19 52.412 -5.248 3.500 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.412 -3.440 3.955 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.889 -2.927 2.349 1.00 0.00 H new ATOM 0 HG LEU B 19 50.220 -5.814 3.088 1.00 0.00 H new ATOM 0 HD11 LEU B 19 48.109 -5.400 1.852 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.246 -4.322 3.262 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.576 -3.697 1.628 1.00 0.00 H new ATOM 0 HD21 LEU B 19 50.156 -6.125 0.634 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.620 -4.422 0.405 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.757 -5.560 1.166 1.00 0.00 H new ATOM 750 N THR B 20 53.529 -2.527 1.997 1.00 0.00 N ATOM 751 CA THR B 20 54.389 -2.075 0.911 1.00 0.00 C ATOM 752 C THR B 20 55.792 -2.646 1.067 1.00 0.00 C ATOM 753 O THR B 20 56.387 -3.129 0.104 1.00 0.00 O ATOM 754 CB THR B 20 54.467 -0.548 0.898 1.00 0.00 C ATOM 755 OG1 THR B 20 53.157 -0.007 0.960 1.00 0.00 O ATOM 756 CG2 THR B 20 55.155 -0.083 -0.387 1.00 0.00 C ATOM 0 H THR B 20 53.157 -1.782 2.586 1.00 0.00 H new ATOM 0 HA THR B 20 53.961 -2.426 -0.028 1.00 0.00 H new ATOM 0 HB THR B 20 55.041 -0.205 1.759 1.00 0.00 H new ATOM 0 HG1 THR B 20 53.207 0.972 0.953 1.00 0.00 H new ATOM 0 HG21 THR B 20 55.211 1.006 -0.396 1.00 0.00 H new ATOM 0 HG22 THR B 20 56.162 -0.498 -0.431 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.583 -0.425 -1.250 1.00 0.00 H new ATOM 764 N VAL B 21 56.321 -2.575 2.283 1.00 0.00 N ATOM 765 CA VAL B 21 57.665 -3.077 2.548 1.00 0.00 C ATOM 766 C VAL B 21 57.717 -4.603 2.499 1.00 0.00 C ATOM 767 O VAL B 21 58.770 -5.181 2.232 1.00 0.00 O ATOM 768 CB VAL B 21 58.142 -2.591 3.917 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.534 -3.158 4.205 1.00 0.00 C ATOM 770 CG2 VAL B 21 58.206 -1.062 3.921 1.00 0.00 C ATOM 0 H VAL B 21 55.846 -2.179 3.094 1.00 0.00 H new ATOM 0 HA VAL B 21 58.323 -2.692 1.769 1.00 0.00 H new ATOM 0 HB VAL B 21 57.446 -2.929 4.684 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.873 -2.811 5.181 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.491 -4.247 4.202 1.00 0.00 H new ATOM 0 HG13 VAL B 21 60.230 -2.820 3.438 1.00 0.00 H new ATOM 0 HG21 VAL B 21 58.546 -0.715 4.897 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.902 -0.725 3.153 1.00 0.00 H new ATOM 0 HG23 VAL B 21 57.215 -0.656 3.716 1.00 0.00 H new ATOM 780 N LEU B 22 56.593 -5.256 2.775 1.00 0.00 N ATOM 781 CA LEU B 22 56.558 -6.717 2.771 1.00 0.00 C ATOM 782 C LEU B 22 56.665 -7.270 1.354 1.00 0.00 C ATOM 783 O LEU B 22 57.513 -8.114 1.082 1.00 0.00 O ATOM 784 CB LEU B 22 55.271 -7.221 3.440 1.00 0.00 C ATOM 785 CG LEU B 22 55.146 -8.747 3.297 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.425 -9.432 3.799 1.00 0.00 C ATOM 787 CD2 LEU B 22 53.952 -9.228 4.131 1.00 0.00 C ATOM 0 H LEU B 22 55.706 -4.807 3.001 1.00 0.00 H new ATOM 0 HA LEU B 22 57.418 -7.074 3.338 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.273 -6.949 4.495 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.406 -6.736 2.987 1.00 0.00 H new ATOM 0 HG LEU B 22 54.998 -9.000 2.247 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.325 -10.512 3.693 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.277 -9.087 3.213 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.583 -9.184 4.849 1.00 0.00 H new ATOM 0 HD21 LEU B 22 53.854 -10.309 4.037 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.111 -8.968 5.178 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.041 -8.749 3.772 1.00 0.00 H new ATOM 799 N ILE B 23 55.807 -6.804 0.451 1.00 0.00 N ATOM 800 CA ILE B 23 55.850 -7.290 -0.927 1.00 0.00 C ATOM 801 C ILE B 23 57.110 -6.780 -1.616 1.00 0.00 C ATOM 802 O ILE B 23 57.771 -7.520 -2.343 1.00 0.00 O ATOM 803 CB ILE B 23 54.602 -6.843 -1.703 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.348 -7.292 -0.943 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.596 -7.485 -3.106 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.132 -6.529 -1.464 1.00 0.00 C ATOM 0 H ILE B 23 55.088 -6.106 0.641 1.00 0.00 H new ATOM 0 HA ILE B 23 55.867 -8.380 -0.910 1.00 0.00 H new ATOM 0 HB ILE B 23 54.612 -5.758 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.199 -8.364 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.473 -7.111 0.125 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.708 -7.163 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.487 -7.176 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.588 -8.571 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.242 -6.850 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.282 -5.460 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.003 -6.732 -2.527 1.00 0.00 H new ATOM 818 N ALA B 24 57.439 -5.513 -1.384 1.00 0.00 N ATOM 819 CA ALA B 24 58.626 -4.928 -1.993 1.00 0.00 C ATOM 820 C ALA B 24 59.879 -5.677 -1.552 1.00 0.00 C ATOM 821 O ALA B 24 60.752 -5.976 -2.367 1.00 0.00 O ATOM 822 CB ALA B 24 58.741 -3.455 -1.599 1.00 0.00 C ATOM 0 H ALA B 24 56.908 -4.880 -0.787 1.00 0.00 H new ATOM 0 HA ALA B 24 58.534 -5.007 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.631 -3.024 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.858 -2.916 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.816 -3.373 -0.515 1.00 0.00 H new ATOM 828 N LEU B 25 59.961 -5.982 -0.262 1.00 0.00 N ATOM 829 CA LEU B 25 61.114 -6.703 0.263 1.00 0.00 C ATOM 830 C LEU B 25 61.072 -8.156 -0.194 1.00 0.00 C ATOM 831 O LEU B 25 62.108 -8.799 -0.354 1.00 0.00 O ATOM 832 CB LEU B 25 61.118 -6.638 1.796 1.00 0.00 C ATOM 833 CG LEU B 25 62.301 -7.434 2.370 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.628 -6.905 1.803 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.300 -7.290 3.896 1.00 0.00 C ATOM 0 H LEU B 25 59.252 -5.745 0.432 1.00 0.00 H new ATOM 0 HA LEU B 25 62.024 -6.238 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU B 25 61.180 -5.599 2.121 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.181 -7.038 2.184 1.00 0.00 H new ATOM 0 HG LEU B 25 62.199 -8.483 2.092 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.456 -7.479 2.219 1.00 0.00 H new ATOM 0 HD12 LEU B 25 63.626 -7.006 0.718 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.745 -5.855 2.070 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.135 -7.851 4.315 1.00 0.00 H new ATOM 0 HD22 LEU B 25 62.400 -6.238 4.162 1.00 0.00 H new ATOM 0 HD23 LEU B 25 61.364 -7.679 4.298 1.00 0.00 H new ATOM 847 N ALA B 26 59.862 -8.667 -0.390 1.00 0.00 N ATOM 848 CA ALA B 26 59.683 -10.048 -0.815 1.00 0.00 C ATOM 849 C ALA B 26 60.218 -10.260 -2.225 1.00 0.00 C ATOM 850 O ALA B 26 61.002 -11.179 -2.464 1.00 0.00 O ATOM 851 CB ALA B 26 58.201 -10.422 -0.773 1.00 0.00 C ATOM 0 H ALA B 26 58.994 -8.147 -0.262 1.00 0.00 H new ATOM 0 HA ALA B 26 60.242 -10.686 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.078 -11.457 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA B 26 57.826 -10.309 0.244 1.00 0.00 H new ATOM 0 HB3 ALA B 26 57.641 -9.767 -1.441 1.00 0.00 H new ATOM 857 N VAL B 27 59.790 -9.419 -3.162 1.00 0.00 N ATOM 858 CA VAL B 27 60.243 -9.561 -4.539 1.00 0.00 C ATOM 859 C VAL B 27 61.711 -9.174 -4.677 1.00 0.00 C ATOM 860 O VAL B 27 62.461 -9.808 -5.420 1.00 0.00 O ATOM 861 CB VAL B 27 59.384 -8.694 -5.448 1.00 0.00 C ATOM 862 CG1 VAL B 27 57.917 -9.115 -5.303 1.00 0.00 C ATOM 863 CG2 VAL B 27 59.546 -7.225 -5.041 1.00 0.00 C ATOM 0 H VAL B 27 59.143 -8.648 -2.997 1.00 0.00 H new ATOM 0 HA VAL B 27 60.144 -10.606 -4.831 1.00 0.00 H new ATOM 0 HB VAL B 27 59.695 -8.817 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL B 27 57.296 -8.498 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL B 27 57.809 -10.162 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL B 27 57.602 -8.985 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL B 27 58.933 -6.598 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.229 -7.097 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL B 27 60.592 -6.934 -5.138 1.00 0.00 H new ATOM 873 N TYR B 28 62.116 -8.132 -3.962 1.00 0.00 N ATOM 874 CA TYR B 28 63.499 -7.674 -4.019 1.00 0.00 C ATOM 875 C TYR B 28 64.448 -8.756 -3.509 1.00 0.00 C ATOM 876 O TYR B 28 65.452 -9.068 -4.151 1.00 0.00 O ATOM 877 CB TYR B 28 63.663 -6.410 -3.173 1.00 0.00 C ATOM 878 CG TYR B 28 65.079 -5.902 -3.293 1.00 0.00 C ATOM 879 CD1 TYR B 28 65.445 -5.100 -4.381 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.026 -6.231 -2.316 1.00 0.00 C ATOM 881 CE1 TYR B 28 66.757 -4.628 -4.492 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.339 -5.759 -2.428 1.00 0.00 C ATOM 883 CZ TYR B 28 67.705 -4.958 -3.516 1.00 0.00 C ATOM 884 OH TYR B 28 68.999 -4.492 -3.625 1.00 0.00 O ATOM 0 H TYR B 28 61.513 -7.592 -3.341 1.00 0.00 H new ATOM 0 HA TYR B 28 63.746 -7.454 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR B 28 62.962 -5.644 -3.505 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.430 -6.625 -2.130 1.00 0.00 H new ATOM 0 HD1 TYR B 28 64.714 -4.846 -5.134 1.00 0.00 H new ATOM 0 HD2 TYR B 28 65.744 -6.849 -1.476 1.00 0.00 H new ATOM 0 HE1 TYR B 28 67.039 -4.009 -5.331 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.070 -6.013 -1.675 1.00 0.00 H new ATOM 0 HH TYR B 28 69.527 -4.812 -2.864 1.00 0.00 H new ATOM 894 N PHE B 29 64.124 -9.325 -2.351 1.00 0.00 N ATOM 895 CA PHE B 29 64.955 -10.370 -1.762 1.00 0.00 C ATOM 896 C PHE B 29 65.018 -11.593 -2.672 1.00 0.00 C ATOM 897 O PHE B 29 66.098 -12.105 -2.965 1.00 0.00 O ATOM 898 CB PHE B 29 64.390 -10.778 -0.400 1.00 0.00 C ATOM 899 CG PHE B 29 65.233 -11.885 0.186 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.399 -11.578 0.897 1.00 0.00 C ATOM 901 CD2 PHE B 29 64.848 -13.222 0.018 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.180 -12.606 1.440 1.00 0.00 C ATOM 903 CE2 PHE B 29 65.628 -14.249 0.561 1.00 0.00 C ATOM 904 CZ PHE B 29 66.793 -13.941 1.273 1.00 0.00 C ATOM 0 H PHE B 29 63.297 -9.082 -1.805 1.00 0.00 H new ATOM 0 HA PHE B 29 65.963 -9.974 -1.639 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.379 -9.920 0.272 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.358 -11.111 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.697 -10.548 1.027 1.00 0.00 H new ATOM 0 HD2 PHE B 29 63.949 -13.460 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.080 -12.369 1.987 1.00 0.00 H new ATOM 0 HE2 PHE B 29 65.331 -15.279 0.431 1.00 0.00 H new ATOM 0 HZ PHE B 29 67.394 -14.734 1.694 1.00 0.00 H new