USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 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 1 CYS N :NH3+ -152:sc= 1.21 (180deg=-0.671) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.224! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 CYS N :NH3+ -171:sc= -0.182 (180deg=-0.307) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -32:sc= -0.0512 USER MOD Single : B 20 THR OG1 : rot 180:sc= -2.88! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 26.764 9.873 18.340 1.00 0.00 N ATOM 2 CA CYS A 1 26.535 11.128 19.110 1.00 0.00 C ATOM 3 C CYS A 1 27.285 12.277 18.439 1.00 0.00 C ATOM 4 O CYS A 1 26.958 13.446 18.642 1.00 0.00 O ATOM 5 CB CYS A 1 27.032 10.939 20.546 1.00 0.00 C ATOM 6 SG CYS A 1 28.587 10.012 20.530 1.00 0.00 S ATOM 0 H1 CYS A 1 25.950 9.237 18.462 1.00 0.00 H new ATOM 0 H2 CYS A 1 26.877 10.100 17.331 1.00 0.00 H new ATOM 0 H3 CYS A 1 27.625 9.404 18.688 1.00 0.00 H new ATOM 0 HA CYS A 1 25.471 11.362 19.130 1.00 0.00 H new ATOM 0 HB2 CYS A 1 27.179 11.909 21.022 1.00 0.00 H new ATOM 0 HB3 CYS A 1 26.285 10.406 21.134 1.00 0.00 H new ATOM 10 N SER A 2 28.290 11.935 17.639 1.00 0.00 N ATOM 11 CA SER A 2 29.079 12.946 16.944 1.00 0.00 C ATOM 12 C SER A 2 29.827 12.327 15.768 1.00 0.00 C ATOM 13 O SER A 2 30.013 11.112 15.707 1.00 0.00 O ATOM 14 CB SER A 2 30.080 13.581 17.910 1.00 0.00 C ATOM 15 OG SER A 2 30.583 14.784 17.340 1.00 0.00 O ATOM 0 H SER A 2 28.576 10.973 17.457 1.00 0.00 H new ATOM 0 HA SER A 2 28.402 13.712 16.566 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.599 13.791 18.865 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.899 12.890 18.111 1.00 0.00 H new ATOM 0 HG SER A 2 31.224 15.195 17.957 1.00 0.00 H new ATOM 21 N THR A 3 30.254 13.172 14.836 1.00 0.00 N ATOM 22 CA THR A 3 30.982 12.698 13.665 1.00 0.00 C ATOM 23 C THR A 3 32.298 12.046 14.079 1.00 0.00 C ATOM 24 O THR A 3 32.326 10.885 14.487 1.00 0.00 O ATOM 25 CB THR A 3 31.266 13.867 12.718 1.00 0.00 C ATOM 26 OG1 THR A 3 32.071 14.828 13.385 1.00 0.00 O ATOM 27 CG2 THR A 3 29.948 14.513 12.288 1.00 0.00 C ATOM 0 H THR A 3 30.110 14.181 14.868 1.00 0.00 H new ATOM 0 HA THR A 3 30.367 11.957 13.154 1.00 0.00 H new ATOM 0 HB THR A 3 31.791 13.500 11.836 1.00 0.00 H new ATOM 0 HG1 THR A 3 32.256 15.577 12.780 1.00 0.00 H new ATOM 0 HG21 THR A 3 30.153 15.345 11.614 1.00 0.00 H new ATOM 0 HG22 THR A 3 29.331 13.775 11.776 1.00 0.00 H new ATOM 0 HG23 THR A 3 29.419 14.881 13.167 1.00 0.00 H new ATOM 35 N VAL A 4 33.386 12.803 13.975 1.00 0.00 N ATOM 36 CA VAL A 4 34.699 12.296 14.341 1.00 0.00 C ATOM 37 C VAL A 4 34.930 10.932 13.693 1.00 0.00 C ATOM 38 O VAL A 4 35.631 10.079 14.236 1.00 0.00 O ATOM 39 CB VAL A 4 34.796 12.192 15.866 1.00 0.00 C ATOM 40 CG1 VAL A 4 36.265 12.144 16.306 1.00 0.00 C ATOM 41 CG2 VAL A 4 34.116 13.412 16.494 1.00 0.00 C ATOM 0 H VAL A 4 33.382 13.767 13.641 1.00 0.00 H new ATOM 0 HA VAL A 4 35.468 12.980 13.983 1.00 0.00 H new ATOM 0 HB VAL A 4 34.302 11.277 16.194 1.00 0.00 H new ATOM 0 HG11 VAL A 4 36.317 12.070 17.392 1.00 0.00 H new ATOM 0 HG12 VAL A 4 36.750 11.276 15.860 1.00 0.00 H new ATOM 0 HG13 VAL A 4 36.773 13.052 15.979 1.00 0.00 H new ATOM 0 HG21 VAL A 4 34.181 13.346 17.580 1.00 0.00 H new ATOM 0 HG22 VAL A 4 34.614 14.321 16.156 1.00 0.00 H new ATOM 0 HG23 VAL A 4 33.068 13.439 16.194 1.00 0.00 H new ATOM 51 N SER A 5 34.330 10.740 12.523 1.00 0.00 N ATOM 52 CA SER A 5 34.468 9.483 11.798 1.00 0.00 C ATOM 53 C SER A 5 35.869 9.385 11.184 1.00 0.00 C ATOM 54 O SER A 5 36.495 10.408 10.903 1.00 0.00 O ATOM 55 CB SER A 5 33.406 9.411 10.692 1.00 0.00 C ATOM 56 OG SER A 5 33.972 9.844 9.460 1.00 0.00 O ATOM 0 H SER A 5 33.746 11.436 12.059 1.00 0.00 H new ATOM 0 HA SER A 5 34.327 8.651 12.488 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.035 8.391 10.595 1.00 0.00 H new ATOM 0 HB3 SER A 5 32.552 10.037 10.952 1.00 0.00 H new ATOM 0 HG SER A 5 33.294 9.796 8.754 1.00 0.00 H new ATOM 62 N PRO A 6 36.375 8.193 10.970 1.00 0.00 N ATOM 63 CA PRO A 6 37.732 8.000 10.376 1.00 0.00 C ATOM 64 C PRO A 6 37.752 8.301 8.878 1.00 0.00 C ATOM 65 O PRO A 6 37.846 7.390 8.054 1.00 0.00 O ATOM 66 CB PRO A 6 38.027 6.519 10.645 1.00 0.00 C ATOM 67 CG PRO A 6 36.683 5.866 10.672 1.00 0.00 C ATOM 68 CD PRO A 6 35.724 6.900 11.267 1.00 0.00 C ATOM 0 HA PRO A 6 38.473 8.674 10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 6 38.659 6.093 9.866 1.00 0.00 H new ATOM 0 HB3 PRO A 6 38.552 6.385 11.591 1.00 0.00 H new ATOM 0 HG2 PRO A 6 36.370 5.575 9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 6 36.702 4.959 11.276 1.00 0.00 H new ATOM 0 HD2 PRO A 6 34.735 6.836 10.814 1.00 0.00 H new ATOM 0 HD3 PRO A 6 35.593 6.754 12.339 1.00 0.00 H new ATOM 76 N GLY A 7 37.666 9.580 8.529 1.00 0.00 N ATOM 77 CA GLY A 7 37.680 9.967 7.123 1.00 0.00 C ATOM 78 C GLY A 7 39.051 9.709 6.512 1.00 0.00 C ATOM 79 O GLY A 7 39.178 8.966 5.537 1.00 0.00 O ATOM 0 H GLY A 7 37.587 10.355 9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 7 36.921 9.406 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.426 11.023 7.028 1.00 0.00 H new ATOM 83 N VAL A 8 40.081 10.312 7.097 1.00 0.00 N ATOM 84 CA VAL A 8 41.437 10.120 6.600 1.00 0.00 C ATOM 85 C VAL A 8 41.838 8.658 6.761 1.00 0.00 C ATOM 86 O VAL A 8 42.352 8.038 5.831 1.00 0.00 O ATOM 87 CB VAL A 8 42.415 11.021 7.361 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.515 10.568 8.820 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.798 10.941 6.708 1.00 0.00 C ATOM 0 H VAL A 8 40.004 10.930 7.905 1.00 0.00 H new ATOM 0 HA VAL A 8 41.470 10.388 5.544 1.00 0.00 H new ATOM 0 HB VAL A 8 42.053 12.049 7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 8 43.212 11.213 9.354 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.532 10.629 9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.872 9.539 8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.494 11.582 7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 8 44.155 9.912 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.731 11.272 5.672 1.00 0.00 H new ATOM 99 N LEU A 9 41.580 8.113 7.947 1.00 0.00 N ATOM 100 CA LEU A 9 41.899 6.721 8.232 1.00 0.00 C ATOM 101 C LEU A 9 41.229 5.815 7.189 1.00 0.00 C ATOM 102 O LEU A 9 41.878 4.944 6.592 1.00 0.00 O ATOM 103 CB LEU A 9 41.406 6.377 9.661 1.00 0.00 C ATOM 104 CG LEU A 9 42.577 6.280 10.667 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.569 5.172 10.247 1.00 0.00 C ATOM 106 CD2 LEU A 9 43.299 7.633 10.757 1.00 0.00 C ATOM 0 H LEU A 9 41.151 8.615 8.724 1.00 0.00 H new ATOM 0 HA LEU A 9 42.976 6.562 8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.702 7.139 9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.865 5.431 9.641 1.00 0.00 H new ATOM 0 HG LEU A 9 42.174 6.023 11.647 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.385 5.121 10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 9 43.052 4.213 10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.971 5.399 9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 9 44.123 7.559 11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.689 7.903 9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.598 8.398 11.092 1.00 0.00 H new ATOM 118 N ALA A 10 39.937 6.037 6.953 1.00 0.00 N ATOM 119 CA ALA A 10 39.217 5.246 5.963 1.00 0.00 C ATOM 120 C ALA A 10 39.955 5.339 4.634 1.00 0.00 C ATOM 121 O ALA A 10 40.078 4.363 3.888 1.00 0.00 O ATOM 122 CB ALA A 10 37.788 5.770 5.804 1.00 0.00 C ATOM 0 H ALA A 10 39.377 6.746 7.426 1.00 0.00 H new ATOM 0 HA ALA A 10 39.168 4.207 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.261 5.170 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.268 5.704 6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.816 6.810 5.477 1.00 0.00 H new ATOM 128 N GLY A 11 40.473 6.523 4.363 1.00 0.00 N ATOM 129 CA GLY A 11 41.223 6.745 3.139 1.00 0.00 C ATOM 130 C GLY A 11 42.461 5.856 3.112 1.00 0.00 C ATOM 131 O GLY A 11 42.860 5.359 2.056 1.00 0.00 O ATOM 0 H GLY A 11 40.390 7.340 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.594 6.532 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.517 7.792 3.069 1.00 0.00 H new ATOM 135 N ILE A 12 43.068 5.654 4.280 1.00 0.00 N ATOM 136 CA ILE A 12 44.261 4.821 4.358 1.00 0.00 C ATOM 137 C ILE A 12 43.949 3.371 4.003 1.00 0.00 C ATOM 138 O ILE A 12 44.691 2.761 3.239 1.00 0.00 O ATOM 139 CB ILE A 12 44.898 4.886 5.753 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.237 6.345 6.121 1.00 0.00 C ATOM 141 CG2 ILE A 12 46.176 4.033 5.773 1.00 0.00 C ATOM 142 CD1 ILE A 12 46.121 6.995 5.045 1.00 0.00 C ATOM 0 H ILE A 12 42.759 6.048 5.169 1.00 0.00 H new ATOM 0 HA ILE A 12 44.971 5.214 3.631 1.00 0.00 H new ATOM 0 HB ILE A 12 44.189 4.498 6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.317 6.918 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.750 6.371 7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.629 4.079 6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.927 2.999 5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.880 4.415 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 12 46.345 8.023 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 12 47.051 6.434 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.595 6.989 4.090 1.00 0.00 H new ATOM 154 N VAL A 13 42.866 2.804 4.541 1.00 0.00 N ATOM 155 CA VAL A 13 42.555 1.412 4.206 1.00 0.00 C ATOM 156 C VAL A 13 42.374 1.291 2.698 1.00 0.00 C ATOM 157 O VAL A 13 42.870 0.347 2.074 1.00 0.00 O ATOM 158 CB VAL A 13 41.319 0.884 4.974 1.00 0.00 C ATOM 159 CG1 VAL A 13 41.218 1.589 6.328 1.00 0.00 C ATOM 160 CG2 VAL A 13 40.018 1.110 4.183 1.00 0.00 C ATOM 0 H VAL A 13 42.217 3.261 5.181 1.00 0.00 H new ATOM 0 HA VAL A 13 43.390 0.785 4.520 1.00 0.00 H new ATOM 0 HB VAL A 13 41.447 -0.189 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 13 40.347 1.217 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 13 42.118 1.390 6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 13 41.116 2.663 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.173 0.726 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.881 2.177 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.077 0.587 3.228 1.00 0.00 H new ATOM 170 N VAL A 14 41.703 2.268 2.099 1.00 0.00 N ATOM 171 CA VAL A 14 41.534 2.239 0.655 1.00 0.00 C ATOM 172 C VAL A 14 42.918 2.148 0.022 1.00 0.00 C ATOM 173 O VAL A 14 43.138 1.405 -0.939 1.00 0.00 O ATOM 174 CB VAL A 14 40.810 3.502 0.179 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.769 3.529 -1.349 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.379 3.500 0.720 1.00 0.00 C ATOM 0 H VAL A 14 41.280 3.065 2.574 1.00 0.00 H new ATOM 0 HA VAL A 14 40.930 1.380 0.363 1.00 0.00 H new ATOM 0 HB VAL A 14 41.342 4.381 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.253 4.429 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.786 3.527 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.238 2.650 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.861 4.398 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.853 2.619 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.402 3.482 1.810 1.00 0.00 H new ATOM 186 N GLY A 15 43.858 2.893 0.600 1.00 0.00 N ATOM 187 CA GLY A 15 45.233 2.883 0.121 1.00 0.00 C ATOM 188 C GLY A 15 45.853 1.500 0.299 1.00 0.00 C ATOM 189 O GLY A 15 46.685 1.079 -0.500 1.00 0.00 O ATOM 0 H GLY A 15 43.691 3.508 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.259 3.167 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.819 3.623 0.666 1.00 0.00 H new ATOM 193 N ASP A 16 45.440 0.793 1.351 1.00 0.00 N ATOM 194 CA ASP A 16 45.961 -0.545 1.608 1.00 0.00 C ATOM 195 C ASP A 16 45.654 -1.448 0.424 1.00 0.00 C ATOM 196 O ASP A 16 46.534 -2.140 -0.092 1.00 0.00 O ATOM 197 CB ASP A 16 45.336 -1.130 2.877 1.00 0.00 C ATOM 198 CG ASP A 16 46.077 -2.400 3.282 1.00 0.00 C ATOM 199 OD1 ASP A 16 47.203 -2.285 3.739 1.00 0.00 O ATOM 200 OD2 ASP A 16 45.509 -3.468 3.129 1.00 0.00 O ATOM 0 H ASP A 16 44.754 1.122 2.031 1.00 0.00 H new ATOM 0 HA ASP A 16 47.040 -0.479 1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.380 -0.399 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.283 -1.352 2.705 1.00 0.00 H new ATOM 205 N LEU A 17 44.400 -1.423 -0.012 1.00 0.00 N ATOM 206 CA LEU A 17 43.991 -2.235 -1.152 1.00 0.00 C ATOM 207 C LEU A 17 44.783 -1.818 -2.391 1.00 0.00 C ATOM 208 O LEU A 17 45.201 -2.659 -3.189 1.00 0.00 O ATOM 209 CB LEU A 17 42.482 -2.062 -1.405 1.00 0.00 C ATOM 210 CG LEU A 17 41.688 -2.989 -0.478 1.00 0.00 C ATOM 211 CD1 LEU A 17 42.008 -2.657 0.980 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.190 -2.795 -0.725 1.00 0.00 C ATOM 0 H LEU A 17 43.658 -0.858 0.400 1.00 0.00 H new ATOM 0 HA LEU A 17 44.193 -3.284 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.192 -1.026 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.251 -2.289 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 17 41.962 -4.024 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.442 -3.318 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.074 -2.794 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.736 -1.622 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.624 -3.454 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.919 -1.759 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 17 39.958 -3.034 -1.763 1.00 0.00 H new ATOM 224 N VAL A 18 44.989 -0.512 -2.540 1.00 0.00 N ATOM 225 CA VAL A 18 45.735 0.010 -3.681 1.00 0.00 C ATOM 226 C VAL A 18 47.160 -0.551 -3.699 1.00 0.00 C ATOM 227 O VAL A 18 47.663 -0.942 -4.750 1.00 0.00 O ATOM 228 CB VAL A 18 45.777 1.541 -3.618 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.691 2.081 -4.722 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.363 2.098 -3.813 1.00 0.00 C ATOM 0 H VAL A 18 44.653 0.199 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 18 45.231 -0.300 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 18 46.163 1.850 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.717 3.170 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.698 1.687 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.309 1.771 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.391 3.187 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.979 1.785 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.711 1.720 -3.026 1.00 0.00 H new ATOM 240 N LEU A 19 47.803 -0.589 -2.535 1.00 0.00 N ATOM 241 CA LEU A 19 49.169 -1.106 -2.438 1.00 0.00 C ATOM 242 C LEU A 19 49.213 -2.576 -2.841 1.00 0.00 C ATOM 243 O LEU A 19 50.112 -3.007 -3.560 1.00 0.00 O ATOM 244 CB LEU A 19 49.685 -0.972 -0.999 1.00 0.00 C ATOM 245 CG LEU A 19 49.978 0.501 -0.663 1.00 0.00 C ATOM 246 CD1 LEU A 19 49.987 0.684 0.861 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.347 0.920 -1.225 1.00 0.00 C ATOM 0 H LEU A 19 47.406 -0.271 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 19 49.799 -0.525 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 19 48.946 -1.369 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.591 -1.566 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 19 49.203 1.122 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.194 1.727 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.015 0.405 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.758 0.051 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.538 1.964 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.126 0.296 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.349 0.797 -2.308 1.00 0.00 H new ATOM 259 N THR A 20 48.244 -3.344 -2.361 1.00 0.00 N ATOM 260 CA THR A 20 48.195 -4.767 -2.668 1.00 0.00 C ATOM 261 C THR A 20 48.161 -5.002 -4.173 1.00 0.00 C ATOM 262 O THR A 20 48.948 -5.783 -4.704 1.00 0.00 O ATOM 263 CB THR A 20 46.952 -5.395 -2.031 1.00 0.00 C ATOM 264 OG1 THR A 20 46.827 -4.939 -0.693 1.00 0.00 O ATOM 265 CG2 THR A 20 47.084 -6.918 -2.044 1.00 0.00 C ATOM 0 H THR A 20 47.488 -3.010 -1.763 1.00 0.00 H new ATOM 0 HA THR A 20 49.094 -5.231 -2.262 1.00 0.00 H new ATOM 0 HB THR A 20 46.067 -5.106 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.031 -5.339 -0.284 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.199 -7.364 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.179 -7.266 -3.072 1.00 0.00 H new ATOM 0 HG23 THR A 20 47.968 -7.211 -1.478 1.00 0.00 H new ATOM 273 N VAL A 21 47.240 -4.332 -4.850 1.00 0.00 N ATOM 274 CA VAL A 21 47.099 -4.490 -6.296 1.00 0.00 C ATOM 275 C VAL A 21 48.280 -3.893 -7.059 1.00 0.00 C ATOM 276 O VAL A 21 48.669 -4.404 -8.110 1.00 0.00 O ATOM 277 CB VAL A 21 45.807 -3.815 -6.760 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.670 -3.953 -8.276 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.611 -4.482 -6.077 1.00 0.00 C ATOM 0 H VAL A 21 46.582 -3.677 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 21 47.071 -5.559 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 21 45.836 -2.758 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.749 -3.471 -8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.521 -3.477 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.642 -5.009 -8.544 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.690 -4.002 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.584 -5.539 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.706 -4.381 -4.996 1.00 0.00 H new ATOM 289 N LEU A 22 48.825 -2.797 -6.550 1.00 0.00 N ATOM 290 CA LEU A 22 49.932 -2.127 -7.221 1.00 0.00 C ATOM 291 C LEU A 22 51.185 -2.999 -7.270 1.00 0.00 C ATOM 292 O LEU A 22 51.711 -3.280 -8.353 1.00 0.00 O ATOM 293 CB LEU A 22 50.241 -0.807 -6.500 1.00 0.00 C ATOM 294 CG LEU A 22 51.483 -0.134 -7.101 1.00 0.00 C ATOM 295 CD1 LEU A 22 51.315 0.032 -8.617 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.660 1.243 -6.454 1.00 0.00 C ATOM 0 H LEU A 22 48.522 -2.355 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 22 49.631 -1.931 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.385 -0.136 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.402 -0.996 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 22 52.359 -0.754 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.202 0.510 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 22 51.182 -0.947 -9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 22 50.441 0.651 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.540 1.731 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.778 1.853 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.788 1.126 -5.378 1.00 0.00 H new ATOM 308 N ILE A 23 51.673 -3.425 -6.110 1.00 0.00 N ATOM 309 CA ILE A 23 52.867 -4.243 -6.083 1.00 0.00 C ATOM 310 C ILE A 23 52.561 -5.612 -6.689 1.00 0.00 C ATOM 311 O ILE A 23 53.389 -6.181 -7.398 1.00 0.00 O ATOM 312 CB ILE A 23 53.401 -4.414 -4.649 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.308 -3.092 -3.843 1.00 0.00 C ATOM 314 CG2 ILE A 23 54.868 -4.882 -4.712 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.440 -2.128 -4.207 1.00 0.00 C ATOM 0 H ILE A 23 51.267 -3.220 -5.197 1.00 0.00 H new ATOM 0 HA ILE A 23 53.637 -3.741 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 23 52.787 -5.157 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.347 -2.615 -4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.346 -3.312 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.254 -5.006 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 23 54.924 -5.834 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.465 -4.138 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.341 -1.213 -3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.400 -2.596 -3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.386 -1.887 -5.269 1.00 0.00 H new ATOM 327 N ALA A 24 51.362 -6.135 -6.403 1.00 0.00 N ATOM 328 CA ALA A 24 50.961 -7.438 -6.929 1.00 0.00 C ATOM 329 C ALA A 24 51.021 -7.439 -8.452 1.00 0.00 C ATOM 330 O ALA A 24 51.439 -8.422 -9.067 1.00 0.00 O ATOM 331 CB ALA A 24 49.541 -7.778 -6.480 1.00 0.00 C ATOM 0 H ALA A 24 50.663 -5.679 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 24 51.651 -8.187 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.256 -8.751 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 24 49.501 -7.807 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.851 -7.019 -6.849 1.00 0.00 H new ATOM 337 N LEU A 25 50.604 -6.334 -9.058 1.00 0.00 N ATOM 338 CA LEU A 25 50.627 -6.226 -10.508 1.00 0.00 C ATOM 339 C LEU A 25 52.070 -6.157 -10.991 1.00 0.00 C ATOM 340 O LEU A 25 52.420 -6.725 -12.025 1.00 0.00 O ATOM 341 CB LEU A 25 49.855 -4.977 -10.960 1.00 0.00 C ATOM 342 CG LEU A 25 49.969 -4.791 -12.483 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.508 -6.062 -13.213 1.00 0.00 C ATOM 344 CD2 LEU A 25 49.087 -3.612 -12.908 1.00 0.00 C ATOM 0 H LEU A 25 50.250 -5.510 -8.573 1.00 0.00 H new ATOM 0 HA LEU A 25 50.147 -7.104 -10.940 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.806 -5.069 -10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.247 -4.097 -10.450 1.00 0.00 H new ATOM 0 HG LEU A 25 51.009 -4.595 -12.743 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.594 -5.915 -14.290 1.00 0.00 H new ATOM 0 HD12 LEU A 25 50.133 -6.902 -12.910 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.469 -6.272 -12.958 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.161 -3.472 -13.986 1.00 0.00 H new ATOM 0 HD22 LEU A 25 48.051 -3.817 -12.639 1.00 0.00 H new ATOM 0 HD23 LEU A 25 49.421 -2.707 -12.401 1.00 0.00 H new ATOM 356 N ALA A 26 52.903 -5.449 -10.233 1.00 0.00 N ATOM 357 CA ALA A 26 54.311 -5.303 -10.593 1.00 0.00 C ATOM 358 C ALA A 26 55.030 -6.656 -10.604 1.00 0.00 C ATOM 359 O ALA A 26 55.669 -7.013 -11.596 1.00 0.00 O ATOM 360 CB ALA A 26 55.005 -4.364 -9.606 1.00 0.00 C ATOM 0 H ALA A 26 52.631 -4.971 -9.374 1.00 0.00 H new ATOM 0 HA ALA A 26 54.357 -4.884 -11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 26 56.055 -4.259 -9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.524 -3.386 -9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.932 -4.776 -8.599 1.00 0.00 H new ATOM 366 N VAL A 27 54.939 -7.403 -9.502 1.00 0.00 N ATOM 367 CA VAL A 27 55.606 -8.704 -9.421 1.00 0.00 C ATOM 368 C VAL A 27 55.061 -9.681 -10.460 1.00 0.00 C ATOM 369 O VAL A 27 55.826 -10.372 -11.133 1.00 0.00 O ATOM 370 CB VAL A 27 55.433 -9.303 -8.022 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.151 -8.424 -6.999 1.00 0.00 C ATOM 372 CG2 VAL A 27 53.946 -9.380 -7.673 1.00 0.00 C ATOM 0 H VAL A 27 54.419 -7.136 -8.666 1.00 0.00 H new ATOM 0 HA VAL A 27 56.664 -8.541 -9.624 1.00 0.00 H new ATOM 0 HB VAL A 27 55.859 -10.306 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.028 -8.850 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.212 -8.373 -7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.726 -7.421 -7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 27 53.828 -9.807 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 27 53.515 -8.379 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 27 53.434 -10.009 -8.401 1.00 0.00 H new ATOM 382 N TYR A 28 53.741 -9.749 -10.576 1.00 0.00 N ATOM 383 CA TYR A 28 53.116 -10.663 -11.527 1.00 0.00 C ATOM 384 C TYR A 28 53.529 -10.339 -12.962 1.00 0.00 C ATOM 385 O TYR A 28 53.824 -11.239 -13.748 1.00 0.00 O ATOM 386 CB TYR A 28 51.595 -10.581 -11.408 1.00 0.00 C ATOM 387 CG TYR A 28 50.966 -11.525 -12.405 1.00 0.00 C ATOM 388 CD1 TYR A 28 50.817 -12.879 -12.089 1.00 0.00 C ATOM 389 CD2 TYR A 28 50.538 -11.044 -13.647 1.00 0.00 C ATOM 390 CE1 TYR A 28 50.239 -13.755 -13.016 1.00 0.00 C ATOM 391 CE2 TYR A 28 49.959 -11.919 -14.575 1.00 0.00 C ATOM 392 CZ TYR A 28 49.810 -13.274 -14.258 1.00 0.00 C ATOM 393 OH TYR A 28 49.240 -14.137 -15.172 1.00 0.00 O ATOM 0 H TYR A 28 53.087 -9.189 -10.030 1.00 0.00 H new ATOM 0 HA TYR A 28 53.452 -11.672 -11.290 1.00 0.00 H new ATOM 0 HB2 TYR A 28 51.283 -10.841 -10.396 1.00 0.00 H new ATOM 0 HB3 TYR A 28 51.258 -9.561 -11.593 1.00 0.00 H new ATOM 0 HD1 TYR A 28 51.148 -13.249 -11.130 1.00 0.00 H new ATOM 0 HD2 TYR A 28 50.654 -9.998 -13.890 1.00 0.00 H new ATOM 0 HE1 TYR A 28 50.124 -14.801 -12.773 1.00 0.00 H new ATOM 0 HE2 TYR A 28 49.628 -11.548 -15.534 1.00 0.00 H new ATOM 0 HH TYR A 28 48.997 -13.642 -15.982 1.00 0.00 H new ATOM 403 N PHE A 29 53.531 -9.054 -13.302 1.00 0.00 N ATOM 404 CA PHE A 29 53.893 -8.632 -14.652 1.00 0.00 C ATOM 405 C PHE A 29 55.319 -9.053 -14.997 1.00 0.00 C ATOM 406 O PHE A 29 55.549 -9.709 -16.013 1.00 0.00 O ATOM 407 CB PHE A 29 53.764 -7.112 -14.773 1.00 0.00 C ATOM 408 CG PHE A 29 54.169 -6.677 -16.163 1.00 0.00 C ATOM 409 CD1 PHE A 29 53.315 -6.916 -17.247 1.00 0.00 C ATOM 410 CD2 PHE A 29 55.397 -6.034 -16.369 1.00 0.00 C ATOM 411 CE1 PHE A 29 53.686 -6.513 -18.535 1.00 0.00 C ATOM 412 CE2 PHE A 29 55.768 -5.631 -17.657 1.00 0.00 C ATOM 413 CZ PHE A 29 54.913 -5.870 -18.740 1.00 0.00 C ATOM 0 H PHE A 29 53.288 -8.292 -12.668 1.00 0.00 H new ATOM 0 HA PHE A 29 53.212 -9.116 -15.352 1.00 0.00 H new ATOM 0 HB2 PHE A 29 52.737 -6.807 -14.570 1.00 0.00 H new ATOM 0 HB3 PHE A 29 54.394 -6.623 -14.030 1.00 0.00 H new ATOM 0 HD1 PHE A 29 52.369 -7.412 -17.089 1.00 0.00 H new ATOM 0 HD2 PHE A 29 56.057 -5.849 -15.534 1.00 0.00 H new ATOM 0 HE1 PHE A 29 53.027 -6.698 -19.370 1.00 0.00 H new ATOM 0 HE2 PHE A 29 56.714 -5.135 -17.816 1.00 0.00 H new ATOM 0 HZ PHE A 29 55.200 -5.558 -19.733 1.00 0.00 H new ATOM 423 N LEU A 30 56.269 -8.679 -14.146 1.00 0.00 N ATOM 424 CA LEU A 30 57.669 -9.027 -14.373 1.00 0.00 C ATOM 425 C LEU A 30 58.517 -8.596 -13.181 1.00 0.00 C ATOM 426 O LEU A 30 59.203 -7.574 -13.229 1.00 0.00 O ATOM 427 CB LEU A 30 58.185 -8.344 -15.649 1.00 0.00 C ATOM 428 CG LEU A 30 59.633 -8.774 -15.943 1.00 0.00 C ATOM 429 CD1 LEU A 30 59.699 -10.289 -16.217 1.00 0.00 C ATOM 430 CD2 LEU A 30 60.139 -8.004 -17.170 1.00 0.00 C ATOM 0 H LEU A 30 56.098 -8.139 -13.298 1.00 0.00 H new ATOM 0 HA LEU A 30 57.744 -10.108 -14.492 1.00 0.00 H new ATOM 0 HB2 LEU A 30 57.544 -8.603 -16.492 1.00 0.00 H new ATOM 0 HB3 LEU A 30 58.137 -7.261 -15.534 1.00 0.00 H new ATOM 0 HG LEU A 30 60.258 -8.552 -15.078 1.00 0.00 H new ATOM 0 HD11 LEU A 30 60.730 -10.577 -16.423 1.00 0.00 H new ATOM 0 HD12 LEU A 30 59.338 -10.833 -15.344 1.00 0.00 H new ATOM 0 HD13 LEU A 30 59.076 -10.531 -17.078 1.00 0.00 H new ATOM 0 HD21 LEU A 30 61.165 -8.301 -17.388 1.00 0.00 H new ATOM 0 HD22 LEU A 30 59.506 -8.230 -18.028 1.00 0.00 H new ATOM 0 HD23 LEU A 30 60.106 -6.934 -16.967 1.00 0.00 H new ATOM 442 N GLY A 31 58.466 -9.380 -12.110 1.00 0.00 N ATOM 443 CA GLY A 31 59.235 -9.065 -10.913 1.00 0.00 C ATOM 444 C GLY A 31 60.705 -8.849 -11.253 1.00 0.00 C ATOM 445 O GLY A 31 61.249 -9.509 -12.139 1.00 0.00 O ATOM 0 H GLY A 31 57.906 -10.230 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 31 58.831 -8.169 -10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 31 59.140 -9.876 -10.191 1.00 0.00 H new ATOM 449 N ARG A 32 61.343 -7.921 -10.548 1.00 0.00 N ATOM 450 CA ARG A 32 62.751 -7.630 -10.790 1.00 0.00 C ATOM 451 C ARG A 32 63.581 -8.904 -10.681 1.00 0.00 C ATOM 452 O ARG A 32 63.889 -9.363 -9.580 1.00 0.00 O ATOM 453 CB ARG A 32 63.261 -6.599 -9.778 1.00 0.00 C ATOM 454 CG ARG A 32 62.296 -5.409 -9.706 1.00 0.00 C ATOM 455 CD ARG A 32 62.179 -4.743 -11.080 1.00 0.00 C ATOM 456 NE ARG A 32 61.641 -3.394 -10.940 1.00 0.00 N ATOM 457 CZ ARG A 32 60.336 -3.186 -10.796 1.00 0.00 C ATOM 458 NH1 ARG A 32 59.512 -4.198 -10.769 1.00 0.00 N ATOM 459 NH2 ARG A 32 59.877 -1.970 -10.680 1.00 0.00 N ATOM 0 H ARG A 32 60.913 -7.362 -9.811 1.00 0.00 H new ATOM 0 HA ARG A 32 62.850 -7.224 -11.797 1.00 0.00 H new ATOM 0 HB2 ARG A 32 63.357 -7.060 -8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 32 64.254 -6.255 -10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 32 61.315 -5.746 -9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 32 62.652 -4.686 -8.972 1.00 0.00 H new ATOM 0 HD2 ARG A 32 63.158 -4.705 -11.558 1.00 0.00 H new ATOM 0 HD3 ARG A 32 61.531 -5.336 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 32 62.277 -2.597 -10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 32 59.869 -5.149 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 32 58.511 -4.038 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 32 60.520 -1.178 -10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 32 58.875 -1.811 -10.570 1.00 0.00 H new ATOM 473 N LEU A 33 63.940 -9.471 -11.828 1.00 0.00 N ATOM 474 CA LEU A 33 64.735 -10.694 -11.850 1.00 0.00 C ATOM 475 C LEU A 33 64.164 -11.717 -10.872 1.00 0.00 C ATOM 476 CB LEU A 33 66.191 -10.370 -11.485 1.00 0.00 C ATOM 477 CG LEU A 33 67.006 -11.662 -11.318 1.00 0.00 C ATOM 478 CD1 LEU A 33 66.839 -12.554 -12.554 1.00 0.00 C ATOM 479 CD2 LEU A 33 68.485 -11.299 -11.149 1.00 0.00 C ATOM 0 H LEU A 33 63.695 -9.107 -12.749 1.00 0.00 H new ATOM 0 HA LEU A 33 64.702 -11.119 -12.853 1.00 0.00 H new ATOM 0 HB2 LEU A 33 66.637 -9.750 -12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 33 66.220 -9.793 -10.561 1.00 0.00 H new ATOM 0 HG LEU A 33 66.651 -12.203 -10.441 1.00 0.00 H new ATOM 0 HD11 LEU A 33 67.421 -13.467 -12.425 1.00 0.00 H new ATOM 0 HD12 LEU A 33 65.787 -12.809 -12.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 67.191 -12.021 -13.437 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.072 -12.210 -11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.830 -10.758 -12.030 1.00 0.00 H new ATOM 0 HD23 LEU A 33 68.607 -10.671 -10.267 1.00 0.00 H new TER 491 LEU A 33 ATOM 492 N CYS B 1 27.058 5.612 23.431 1.00 0.00 N ATOM 493 CA CYS B 1 27.754 6.045 22.187 1.00 0.00 C ATOM 494 C CYS B 1 29.200 5.559 22.221 1.00 0.00 C ATOM 495 O CYS B 1 29.901 5.593 21.210 1.00 0.00 O ATOM 496 CB CYS B 1 27.708 7.574 22.090 1.00 0.00 C ATOM 497 SG CYS B 1 28.011 8.082 20.379 1.00 0.00 S ATOM 0 H1 CYS B 1 26.040 5.806 23.345 1.00 0.00 H new ATOM 0 H2 CYS B 1 27.205 4.592 23.574 1.00 0.00 H new ATOM 0 H3 CYS B 1 27.443 6.134 24.244 1.00 0.00 H new ATOM 0 HA CYS B 1 27.259 5.618 21.315 1.00 0.00 H new ATOM 0 HB2 CYS B 1 26.737 7.941 22.423 1.00 0.00 H new ATOM 0 HB3 CYS B 1 28.457 8.013 22.749 1.00 0.00 H new ATOM 501 N SER B 2 29.638 5.105 23.392 1.00 0.00 N ATOM 502 CA SER B 2 31.002 4.611 23.551 1.00 0.00 C ATOM 503 C SER B 2 32.001 5.567 22.908 1.00 0.00 C ATOM 504 O SER B 2 33.158 5.210 22.683 1.00 0.00 O ATOM 505 CB SER B 2 31.134 3.228 22.910 1.00 0.00 C ATOM 506 OG SER B 2 30.059 2.405 23.345 1.00 0.00 O ATOM 0 H SER B 2 29.072 5.069 24.240 1.00 0.00 H new ATOM 0 HA SER B 2 31.219 4.542 24.617 1.00 0.00 H new ATOM 0 HB2 SER B 2 31.124 3.315 21.824 1.00 0.00 H new ATOM 0 HB3 SER B 2 32.087 2.776 23.185 1.00 0.00 H new ATOM 0 HG SER B 2 30.139 1.518 22.935 1.00 0.00 H new ATOM 512 N THR B 3 31.548 6.782 22.616 1.00 0.00 N ATOM 513 CA THR B 3 32.414 7.780 21.999 1.00 0.00 C ATOM 514 C THR B 3 33.009 7.246 20.699 1.00 0.00 C ATOM 515 O THR B 3 33.040 6.037 20.470 1.00 0.00 O ATOM 516 CB THR B 3 33.542 8.161 22.961 1.00 0.00 C ATOM 517 OG1 THR B 3 32.983 8.643 24.175 1.00 0.00 O ATOM 518 CG2 THR B 3 34.411 9.251 22.328 1.00 0.00 C ATOM 0 H THR B 3 30.595 7.097 22.795 1.00 0.00 H new ATOM 0 HA THR B 3 31.815 8.663 21.775 1.00 0.00 H new ATOM 0 HB THR B 3 34.157 7.285 23.166 1.00 0.00 H new ATOM 0 HG1 THR B 3 33.704 8.886 24.793 1.00 0.00 H new ATOM 0 HG21 THR B 3 35.214 9.521 23.014 1.00 0.00 H new ATOM 0 HG22 THR B 3 34.839 8.880 21.397 1.00 0.00 H new ATOM 0 HG23 THR B 3 33.800 10.129 22.121 1.00 0.00 H new ATOM 526 N VAL B 4 33.479 8.157 19.852 1.00 0.00 N ATOM 527 CA VAL B 4 34.073 7.775 18.574 1.00 0.00 C ATOM 528 C VAL B 4 35.553 7.447 18.760 1.00 0.00 C ATOM 529 O VAL B 4 36.344 8.307 19.148 1.00 0.00 O ATOM 530 CB VAL B 4 33.914 8.930 17.578 1.00 0.00 C ATOM 531 CG1 VAL B 4 34.252 8.467 16.154 1.00 0.00 C ATOM 532 CG2 VAL B 4 32.469 9.433 17.623 1.00 0.00 C ATOM 0 H VAL B 4 33.461 9.162 20.026 1.00 0.00 H new ATOM 0 HA VAL B 4 33.566 6.890 18.190 1.00 0.00 H new ATOM 0 HB VAL B 4 34.599 9.732 17.853 1.00 0.00 H new ATOM 0 HG11 VAL B 4 34.133 9.301 15.462 1.00 0.00 H new ATOM 0 HG12 VAL B 4 35.282 8.113 16.122 1.00 0.00 H new ATOM 0 HG13 VAL B 4 33.581 7.658 15.866 1.00 0.00 H new ATOM 0 HG21 VAL B 4 32.348 10.255 16.917 1.00 0.00 H new ATOM 0 HG22 VAL B 4 31.793 8.621 17.355 1.00 0.00 H new ATOM 0 HG23 VAL B 4 32.236 9.782 18.629 1.00 0.00 H new ATOM 542 N SER B 5 35.921 6.195 18.491 1.00 0.00 N ATOM 543 CA SER B 5 37.308 5.764 18.644 1.00 0.00 C ATOM 544 C SER B 5 37.597 4.544 17.768 1.00 0.00 C ATOM 545 O SER B 5 37.592 3.413 18.253 1.00 0.00 O ATOM 546 CB SER B 5 37.578 5.408 20.107 1.00 0.00 C ATOM 547 OG SER B 5 37.043 6.426 20.945 1.00 0.00 O ATOM 0 H SER B 5 35.283 5.467 18.169 1.00 0.00 H new ATOM 0 HA SER B 5 37.958 6.582 18.334 1.00 0.00 H new ATOM 0 HB2 SER B 5 37.125 4.447 20.349 1.00 0.00 H new ATOM 0 HB3 SER B 5 38.650 5.307 20.277 1.00 0.00 H new ATOM 0 HG SER B 5 37.105 7.291 20.489 1.00 0.00 H new ATOM 553 N PRO B 6 37.853 4.746 16.499 1.00 0.00 N ATOM 554 CA PRO B 6 38.150 3.632 15.557 1.00 0.00 C ATOM 555 C PRO B 6 39.605 3.182 15.660 1.00 0.00 C ATOM 556 O PRO B 6 40.458 3.616 14.890 1.00 0.00 O ATOM 557 CB PRO B 6 37.831 4.241 14.189 1.00 0.00 C ATOM 558 CG PRO B 6 38.139 5.701 14.338 1.00 0.00 C ATOM 559 CD PRO B 6 37.889 6.055 15.815 1.00 0.00 C ATOM 0 HA PRO B 6 37.572 2.731 15.762 1.00 0.00 H new ATOM 0 HB2 PRO B 6 38.435 3.787 13.404 1.00 0.00 H new ATOM 0 HB3 PRO B 6 36.787 4.083 13.919 1.00 0.00 H new ATOM 0 HG2 PRO B 6 39.172 5.909 14.059 1.00 0.00 H new ATOM 0 HG3 PRO B 6 37.505 6.299 13.684 1.00 0.00 H new ATOM 0 HD2 PRO B 6 38.681 6.690 16.212 1.00 0.00 H new ATOM 0 HD3 PRO B 6 36.952 6.597 15.942 1.00 0.00 H new ATOM 567 N GLY B 7 39.876 2.313 16.629 1.00 0.00 N ATOM 568 CA GLY B 7 41.227 1.809 16.836 1.00 0.00 C ATOM 569 C GLY B 7 41.628 0.856 15.717 1.00 0.00 C ATOM 570 O GLY B 7 42.764 0.886 15.237 1.00 0.00 O ATOM 0 H GLY B 7 39.181 1.946 17.279 1.00 0.00 H new ATOM 0 HA2 GLY B 7 41.928 2.643 16.878 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.285 1.295 17.795 1.00 0.00 H new ATOM 574 N VAL B 8 40.692 0.008 15.302 1.00 0.00 N ATOM 575 CA VAL B 8 40.974 -0.942 14.238 1.00 0.00 C ATOM 576 C VAL B 8 41.557 -0.212 13.032 1.00 0.00 C ATOM 577 O VAL B 8 42.477 -0.711 12.386 1.00 0.00 O ATOM 578 CB VAL B 8 39.698 -1.702 13.850 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.663 -0.735 13.271 1.00 0.00 C ATOM 580 CG2 VAL B 8 40.036 -2.776 12.808 1.00 0.00 C ATOM 0 H VAL B 8 39.746 -0.039 15.681 1.00 0.00 H new ATOM 0 HA VAL B 8 41.706 -1.667 14.593 1.00 0.00 H new ATOM 0 HB VAL B 8 39.283 -2.174 14.740 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.762 -1.286 13.000 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.415 0.021 14.016 1.00 0.00 H new ATOM 0 HG13 VAL B 8 39.073 -0.251 12.385 1.00 0.00 H new ATOM 0 HG21 VAL B 8 39.129 -3.315 12.533 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.459 -2.303 11.922 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.760 -3.475 13.227 1.00 0.00 H new ATOM 590 N LEU B 9 41.040 0.983 12.745 1.00 0.00 N ATOM 591 CA LEU B 9 41.553 1.767 11.620 1.00 0.00 C ATOM 592 C LEU B 9 43.069 1.960 11.775 1.00 0.00 C ATOM 593 O LEU B 9 43.840 1.684 10.852 1.00 0.00 O ATOM 594 CB LEU B 9 40.855 3.142 11.579 1.00 0.00 C ATOM 595 CG LEU B 9 39.598 3.122 10.679 1.00 0.00 C ATOM 596 CD1 LEU B 9 39.982 3.039 9.176 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.697 1.938 11.065 1.00 0.00 C ATOM 0 H LEU B 9 40.281 1.423 13.264 1.00 0.00 H new ATOM 0 HA LEU B 9 41.350 1.236 10.690 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.573 3.437 12.590 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.554 3.893 11.211 1.00 0.00 H new ATOM 0 HG LEU B 9 39.053 4.054 10.833 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.077 3.027 8.569 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.587 3.905 8.907 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.552 2.127 8.996 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.813 1.930 10.427 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.246 1.005 10.936 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.392 2.038 12.107 1.00 0.00 H new ATOM 609 N ALA B 10 43.490 2.425 12.953 1.00 0.00 N ATOM 610 CA ALA B 10 44.911 2.636 13.217 1.00 0.00 C ATOM 611 C ALA B 10 45.678 1.357 12.920 1.00 0.00 C ATOM 612 O ALA B 10 46.784 1.372 12.356 1.00 0.00 O ATOM 613 CB ALA B 10 45.120 3.029 14.681 1.00 0.00 C ATOM 0 H ALA B 10 42.873 2.660 13.731 1.00 0.00 H new ATOM 0 HA ALA B 10 45.277 3.439 12.577 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.183 3.184 14.868 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.576 3.950 14.892 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.750 2.233 15.328 1.00 0.00 H new ATOM 619 N GLY B 11 45.063 0.247 13.295 1.00 0.00 N ATOM 620 CA GLY B 11 45.661 -1.060 13.071 1.00 0.00 C ATOM 621 C GLY B 11 45.936 -1.263 11.590 1.00 0.00 C ATOM 622 O GLY B 11 47.001 -1.749 11.202 1.00 0.00 O ATOM 0 H GLY B 11 44.153 0.224 13.755 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.589 -1.145 13.636 1.00 0.00 H new ATOM 0 HA3 GLY B 11 44.993 -1.841 13.435 1.00 0.00 H new ATOM 626 N ILE B 12 44.976 -0.872 10.758 1.00 0.00 N ATOM 627 CA ILE B 12 45.151 -1.011 9.325 1.00 0.00 C ATOM 628 C ILE B 12 46.334 -0.158 8.872 1.00 0.00 C ATOM 629 O ILE B 12 47.135 -0.610 8.071 1.00 0.00 O ATOM 630 CB ILE B 12 43.861 -0.621 8.563 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.863 -1.799 8.553 1.00 0.00 C ATOM 632 CG2 ILE B 12 44.198 -0.255 7.111 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.231 -1.970 9.931 1.00 0.00 C ATOM 0 H ILE B 12 44.087 -0.465 11.048 1.00 0.00 H new ATOM 0 HA ILE B 12 45.358 -2.056 9.095 1.00 0.00 H new ATOM 0 HB ILE B 12 43.413 0.234 9.070 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.087 -1.620 7.809 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.376 -2.716 8.264 1.00 0.00 H new ATOM 0 HG21 ILE B 12 43.284 0.018 6.583 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.889 0.588 7.099 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.660 -1.110 6.618 1.00 0.00 H new ATOM 0 HD11 ILE B 12 41.530 -2.804 9.909 1.00 0.00 H new ATOM 0 HD12 ILE B 12 43.010 -2.171 10.666 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.701 -1.058 10.204 1.00 0.00 H new ATOM 645 N VAL B 13 46.457 1.067 9.388 1.00 0.00 N ATOM 646 CA VAL B 13 47.584 1.916 8.995 1.00 0.00 C ATOM 647 C VAL B 13 48.873 1.125 9.127 1.00 0.00 C ATOM 648 O VAL B 13 49.668 1.041 8.187 1.00 0.00 O ATOM 649 CB VAL B 13 47.670 3.163 9.870 1.00 0.00 C ATOM 650 CG1 VAL B 13 48.797 4.061 9.359 1.00 0.00 C ATOM 651 CG2 VAL B 13 46.353 3.927 9.801 1.00 0.00 C ATOM 0 H VAL B 13 45.812 1.484 10.059 1.00 0.00 H new ATOM 0 HA VAL B 13 47.433 2.231 7.963 1.00 0.00 H new ATOM 0 HB VAL B 13 47.868 2.870 10.901 1.00 0.00 H new ATOM 0 HG11 VAL B 13 48.862 4.953 9.982 1.00 0.00 H new ATOM 0 HG12 VAL B 13 49.742 3.519 9.402 1.00 0.00 H new ATOM 0 HG13 VAL B 13 48.592 4.352 8.329 1.00 0.00 H new ATOM 0 HG21 VAL B 13 46.416 4.817 10.426 1.00 0.00 H new ATOM 0 HG22 VAL B 13 46.156 4.221 8.770 1.00 0.00 H new ATOM 0 HG23 VAL B 13 45.544 3.290 10.157 1.00 0.00 H new ATOM 661 N VAL B 14 49.058 0.514 10.291 1.00 0.00 N ATOM 662 CA VAL B 14 50.243 -0.298 10.509 1.00 0.00 C ATOM 663 C VAL B 14 50.287 -1.396 9.454 1.00 0.00 C ATOM 664 O VAL B 14 51.357 -1.795 8.995 1.00 0.00 O ATOM 665 CB VAL B 14 50.213 -0.910 11.911 1.00 0.00 C ATOM 666 CG1 VAL B 14 51.338 -1.940 12.054 1.00 0.00 C ATOM 667 CG2 VAL B 14 50.406 0.200 12.946 1.00 0.00 C ATOM 0 H VAL B 14 48.416 0.564 11.082 1.00 0.00 H new ATOM 0 HA VAL B 14 51.135 0.323 10.427 1.00 0.00 H new ATOM 0 HB VAL B 14 49.254 -1.404 12.071 1.00 0.00 H new ATOM 0 HG11 VAL B 14 51.311 -2.372 13.054 1.00 0.00 H new ATOM 0 HG12 VAL B 14 51.205 -2.729 11.314 1.00 0.00 H new ATOM 0 HG13 VAL B 14 52.300 -1.453 11.895 1.00 0.00 H new ATOM 0 HG21 VAL B 14 50.386 -0.229 13.948 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.366 0.689 12.780 1.00 0.00 H new ATOM 0 HG23 VAL B 14 49.604 0.932 12.848 1.00 0.00 H new ATOM 677 N GLY B 15 49.105 -1.869 9.066 1.00 0.00 N ATOM 678 CA GLY B 15 49.004 -2.913 8.055 1.00 0.00 C ATOM 679 C GLY B 15 49.510 -2.420 6.700 1.00 0.00 C ATOM 680 O GLY B 15 50.179 -3.152 5.984 1.00 0.00 O ATOM 0 H GLY B 15 48.210 -1.547 9.435 1.00 0.00 H new ATOM 0 HA2 GLY B 15 49.582 -3.783 8.368 1.00 0.00 H new ATOM 0 HA3 GLY B 15 47.967 -3.235 7.964 1.00 0.00 H new ATOM 684 N ASP B 16 49.186 -1.173 6.366 1.00 0.00 N ATOM 685 CA ASP B 16 49.611 -0.579 5.103 1.00 0.00 C ATOM 686 C ASP B 16 51.129 -0.524 5.041 1.00 0.00 C ATOM 687 O ASP B 16 51.738 -0.870 4.028 1.00 0.00 O ATOM 688 CB ASP B 16 49.037 0.839 4.991 1.00 0.00 C ATOM 689 CG ASP B 16 49.523 1.529 3.717 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.707 1.454 3.435 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.702 2.134 3.048 1.00 0.00 O ATOM 0 H ASP B 16 48.629 -0.554 6.955 1.00 0.00 H new ATOM 0 HA ASP B 16 49.245 -1.188 4.276 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.948 0.795 4.992 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.333 1.425 5.861 1.00 0.00 H new ATOM 696 N LEU B 17 51.730 -0.083 6.135 1.00 0.00 N ATOM 697 CA LEU B 17 53.179 0.022 6.215 1.00 0.00 C ATOM 698 C LEU B 17 53.826 -1.351 6.039 1.00 0.00 C ATOM 699 O LEU B 17 54.834 -1.494 5.341 1.00 0.00 O ATOM 700 CB LEU B 17 53.557 0.608 7.581 1.00 0.00 C ATOM 701 CG LEU B 17 53.249 2.126 7.605 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.848 2.559 9.022 1.00 0.00 C ATOM 703 CD2 LEU B 17 54.488 2.916 7.161 1.00 0.00 C ATOM 0 H LEU B 17 51.237 0.208 6.979 1.00 0.00 H new ATOM 0 HA LEU B 17 53.539 0.673 5.418 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.001 0.102 8.370 1.00 0.00 H new ATOM 0 HB3 LEU B 17 54.616 0.439 7.779 1.00 0.00 H new ATOM 0 HG LEU B 17 52.425 2.329 6.921 1.00 0.00 H new ATOM 0 HD11 LEU B 17 52.633 3.628 9.029 1.00 0.00 H new ATOM 0 HD12 LEU B 17 51.960 2.009 9.333 1.00 0.00 H new ATOM 0 HD13 LEU B 17 53.665 2.349 9.712 1.00 0.00 H new ATOM 0 HD21 LEU B 17 54.265 3.983 7.180 1.00 0.00 H new ATOM 0 HD22 LEU B 17 55.316 2.706 7.839 1.00 0.00 H new ATOM 0 HD23 LEU B 17 54.764 2.621 6.149 1.00 0.00 H new ATOM 715 N VAL B 18 53.238 -2.355 6.682 1.00 0.00 N ATOM 716 CA VAL B 18 53.753 -3.721 6.608 1.00 0.00 C ATOM 717 C VAL B 18 53.497 -4.340 5.234 1.00 0.00 C ATOM 718 O VAL B 18 54.219 -5.239 4.809 1.00 0.00 O ATOM 719 CB VAL B 18 53.087 -4.577 7.690 1.00 0.00 C ATOM 720 CG1 VAL B 18 53.526 -6.037 7.545 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.497 -4.058 9.072 1.00 0.00 C ATOM 0 H VAL B 18 52.405 -2.250 7.261 1.00 0.00 H new ATOM 0 HA VAL B 18 54.831 -3.688 6.768 1.00 0.00 H new ATOM 0 HB VAL B 18 52.004 -4.516 7.579 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.048 -6.639 8.318 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.234 -6.409 6.563 1.00 0.00 H new ATOM 0 HG13 VAL B 18 54.609 -6.104 7.651 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.024 -4.666 9.844 1.00 0.00 H new ATOM 0 HG22 VAL B 18 54.580 -4.117 9.176 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.178 -3.021 9.181 1.00 0.00 H new ATOM 731 N LEU B 19 52.459 -3.867 4.553 1.00 0.00 N ATOM 732 CA LEU B 19 52.116 -4.398 3.239 1.00 0.00 C ATOM 733 C LEU B 19 53.118 -3.912 2.195 1.00 0.00 C ATOM 734 O LEU B 19 53.724 -4.710 1.478 1.00 0.00 O ATOM 735 CB LEU B 19 50.690 -3.945 2.869 1.00 0.00 C ATOM 736 CG LEU B 19 50.014 -4.951 1.926 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.521 -4.629 1.829 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.636 -4.858 0.532 1.00 0.00 C ATOM 0 H LEU B 19 51.845 -3.123 4.885 1.00 0.00 H new ATOM 0 HA LEU B 19 52.153 -5.487 3.264 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.094 -3.835 3.775 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.729 -2.966 2.392 1.00 0.00 H new ATOM 0 HG LEU B 19 50.154 -5.958 2.318 1.00 0.00 H new ATOM 0 HD11 LEU B 19 48.038 -5.341 1.160 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.069 -4.696 2.819 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.391 -3.620 1.439 1.00 0.00 H new ATOM 0 HD21 LEU B 19 50.151 -5.575 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.500 -3.850 0.139 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.701 -5.083 0.593 1.00 0.00 H new ATOM 750 N THR B 20 53.292 -2.598 2.123 1.00 0.00 N ATOM 751 CA THR B 20 54.225 -2.016 1.169 1.00 0.00 C ATOM 752 C THR B 20 55.633 -2.529 1.428 1.00 0.00 C ATOM 753 O THR B 20 56.348 -2.903 0.500 1.00 0.00 O ATOM 754 CB THR B 20 54.215 -0.489 1.283 1.00 0.00 C ATOM 755 OG1 THR B 20 52.876 -0.021 1.262 1.00 0.00 O ATOM 756 CG2 THR B 20 54.989 0.117 0.110 1.00 0.00 C ATOM 0 H THR B 20 52.803 -1.921 2.709 1.00 0.00 H new ATOM 0 HA THR B 20 53.914 -2.306 0.165 1.00 0.00 H new ATOM 0 HB THR B 20 54.687 -0.192 2.219 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.870 0.956 1.337 1.00 0.00 H new ATOM 0 HG21 THR B 20 54.981 1.204 0.192 1.00 0.00 H new ATOM 0 HG22 THR B 20 56.018 -0.241 0.129 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.519 -0.180 -0.828 1.00 0.00 H new ATOM 764 N VAL B 21 56.028 -2.529 2.694 1.00 0.00 N ATOM 765 CA VAL B 21 57.361 -2.982 3.064 1.00 0.00 C ATOM 766 C VAL B 21 57.547 -4.474 2.801 1.00 0.00 C ATOM 767 O VAL B 21 58.582 -4.883 2.296 1.00 0.00 O ATOM 768 CB VAL B 21 57.617 -2.685 4.546 1.00 0.00 C ATOM 769 CG1 VAL B 21 58.974 -3.261 4.963 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.615 -1.170 4.776 1.00 0.00 C ATOM 0 H VAL B 21 55.449 -2.223 3.476 1.00 0.00 H new ATOM 0 HA VAL B 21 58.078 -2.442 2.446 1.00 0.00 H new ATOM 0 HB VAL B 21 56.830 -3.145 5.143 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.152 -3.047 6.017 1.00 0.00 H new ATOM 0 HG12 VAL B 21 58.975 -4.340 4.806 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.762 -2.806 4.363 1.00 0.00 H new ATOM 0 HG21 VAL B 21 57.797 -0.962 5.830 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.399 -0.710 4.174 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.648 -0.759 4.487 1.00 0.00 H new ATOM 780 N LEU B 22 56.561 -5.283 3.173 1.00 0.00 N ATOM 781 CA LEU B 22 56.667 -6.732 2.994 1.00 0.00 C ATOM 782 C LEU B 22 56.875 -7.118 1.526 1.00 0.00 C ATOM 783 O LEU B 22 57.859 -7.781 1.187 1.00 0.00 O ATOM 784 CB LEU B 22 55.401 -7.410 3.541 1.00 0.00 C ATOM 785 CG LEU B 22 55.398 -8.912 3.212 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.706 -9.556 3.686 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.217 -9.575 3.925 1.00 0.00 C ATOM 0 H LEU B 22 55.688 -4.968 3.596 1.00 0.00 H new ATOM 0 HA LEU B 22 57.542 -7.074 3.546 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.346 -7.270 4.621 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.517 -6.938 3.113 1.00 0.00 H new ATOM 0 HG LEU B 22 55.307 -9.047 2.134 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.695 -10.620 3.449 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.548 -9.081 3.183 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.806 -9.426 4.764 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.207 -10.641 3.698 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.316 -9.435 5.001 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.286 -9.122 3.585 1.00 0.00 H new ATOM 799 N ILE B 23 55.950 -6.721 0.658 1.00 0.00 N ATOM 800 CA ILE B 23 56.073 -7.068 -0.751 1.00 0.00 C ATOM 801 C ILE B 23 57.293 -6.370 -1.356 1.00 0.00 C ATOM 802 O ILE B 23 58.048 -6.976 -2.129 1.00 0.00 O ATOM 803 CB ILE B 23 54.781 -6.707 -1.493 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.587 -7.223 -0.680 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.771 -7.382 -2.871 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.283 -6.966 -1.439 1.00 0.00 C ATOM 0 H ILE B 23 55.125 -6.171 0.898 1.00 0.00 H new ATOM 0 HA ILE B 23 56.223 -8.143 -0.853 1.00 0.00 H new ATOM 0 HB ILE B 23 54.719 -5.626 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.701 -8.290 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.556 -6.727 0.290 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.851 -7.124 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.628 -7.039 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.826 -8.463 -2.747 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.442 -7.336 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.165 -5.896 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.312 -7.483 -2.398 1.00 0.00 H new ATOM 818 N ALA B 24 57.511 -5.109 -0.977 1.00 0.00 N ATOM 819 CA ALA B 24 58.671 -4.378 -1.470 1.00 0.00 C ATOM 820 C ALA B 24 59.941 -5.156 -1.134 1.00 0.00 C ATOM 821 O ALA B 24 60.918 -5.139 -1.884 1.00 0.00 O ATOM 822 CB ALA B 24 58.736 -2.990 -0.831 1.00 0.00 C ATOM 0 H ALA B 24 56.910 -4.584 -0.342 1.00 0.00 H new ATOM 0 HA ALA B 24 58.584 -4.263 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.608 -2.456 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.833 -2.432 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.814 -3.091 0.252 1.00 0.00 H new ATOM 828 N LEU B 25 59.915 -5.850 0.002 1.00 0.00 N ATOM 829 CA LEU B 25 61.062 -6.643 0.425 1.00 0.00 C ATOM 830 C LEU B 25 61.224 -7.828 -0.520 1.00 0.00 C ATOM 831 O LEU B 25 62.330 -8.156 -0.940 1.00 0.00 O ATOM 832 CB LEU B 25 60.862 -7.147 1.873 1.00 0.00 C ATOM 833 CG LEU B 25 62.208 -7.277 2.617 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.204 -8.090 1.778 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.795 -5.883 2.923 1.00 0.00 C ATOM 0 H LEU B 25 59.119 -5.878 0.639 1.00 0.00 H new ATOM 0 HA LEU B 25 61.959 -6.024 0.396 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.212 -6.458 2.413 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.359 -8.114 1.857 1.00 0.00 H new ATOM 0 HG LEU B 25 62.030 -7.796 3.559 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.149 -8.174 2.315 1.00 0.00 H new ATOM 0 HD12 LEU B 25 62.800 -9.086 1.598 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.372 -7.588 0.825 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.744 -5.995 3.448 1.00 0.00 H new ATOM 0 HD22 LEU B 25 62.958 -5.344 1.990 1.00 0.00 H new ATOM 0 HD23 LEU B 25 62.098 -5.324 3.548 1.00 0.00 H new ATOM 847 N ALA B 26 60.103 -8.466 -0.842 1.00 0.00 N ATOM 848 CA ALA B 26 60.123 -9.618 -1.733 1.00 0.00 C ATOM 849 C ALA B 26 60.881 -9.293 -3.017 1.00 0.00 C ATOM 850 O ALA B 26 61.802 -10.017 -3.400 1.00 0.00 O ATOM 851 CB ALA B 26 58.693 -10.040 -2.074 1.00 0.00 C ATOM 0 H ALA B 26 59.177 -8.207 -0.502 1.00 0.00 H new ATOM 0 HA ALA B 26 60.631 -10.437 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.717 -10.902 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA B 26 58.163 -10.304 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA B 26 58.178 -9.215 -2.566 1.00 0.00 H new ATOM 857 N VAL B 27 60.497 -8.205 -3.683 1.00 0.00 N ATOM 858 CA VAL B 27 61.174 -7.826 -4.925 1.00 0.00 C ATOM 859 C VAL B 27 62.642 -7.497 -4.664 1.00 0.00 C ATOM 860 O VAL B 27 63.517 -7.886 -5.437 1.00 0.00 O ATOM 861 CB VAL B 27 60.493 -6.622 -5.582 1.00 0.00 C ATOM 862 CG1 VAL B 27 59.149 -7.051 -6.170 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.267 -5.524 -4.545 1.00 0.00 C ATOM 0 H VAL B 27 59.741 -7.584 -3.395 1.00 0.00 H new ATOM 0 HA VAL B 27 61.112 -8.678 -5.602 1.00 0.00 H new ATOM 0 HB VAL B 27 61.133 -6.240 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.666 -6.193 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.310 -7.828 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.511 -7.438 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.782 -4.670 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.632 -5.904 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.226 -5.213 -4.130 1.00 0.00 H new ATOM 873 N TYR B 28 62.909 -6.779 -3.578 1.00 0.00 N ATOM 874 CA TYR B 28 64.282 -6.410 -3.246 1.00 0.00 C ATOM 875 C TYR B 28 65.170 -7.649 -3.159 1.00 0.00 C ATOM 876 O TYR B 28 66.269 -7.677 -3.712 1.00 0.00 O ATOM 877 CB TYR B 28 64.314 -5.661 -1.912 1.00 0.00 C ATOM 878 CG TYR B 28 65.742 -5.316 -1.566 1.00 0.00 C ATOM 879 CD1 TYR B 28 66.299 -4.111 -2.012 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.509 -6.200 -0.798 1.00 0.00 C ATOM 881 CE1 TYR B 28 67.623 -3.791 -1.692 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.834 -5.879 -0.478 1.00 0.00 C ATOM 883 CZ TYR B 28 68.391 -4.674 -0.923 1.00 0.00 C ATOM 884 OH TYR B 28 69.696 -4.359 -0.607 1.00 0.00 O ATOM 0 H TYR B 28 62.205 -6.445 -2.921 1.00 0.00 H new ATOM 0 HA TYR B 28 64.663 -5.763 -4.036 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.714 -4.753 -1.977 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.876 -6.276 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR B 28 65.706 -3.428 -2.603 1.00 0.00 H new ATOM 0 HD2 TYR B 28 66.079 -7.129 -0.453 1.00 0.00 H new ATOM 0 HE1 TYR B 28 68.053 -2.863 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.427 -6.562 0.113 1.00 0.00 H new ATOM 0 HH TYR B 28 70.085 -5.079 -0.067 1.00 0.00 H new ATOM 894 N PHE B 29 64.687 -8.672 -2.461 1.00 0.00 N ATOM 895 CA PHE B 29 65.443 -9.910 -2.304 1.00 0.00 C ATOM 896 C PHE B 29 65.693 -10.566 -3.658 1.00 0.00 C ATOM 897 O PHE B 29 66.815 -10.971 -3.964 1.00 0.00 O ATOM 898 CB PHE B 29 64.674 -10.877 -1.402 1.00 0.00 C ATOM 899 CG PHE B 29 65.485 -12.136 -1.201 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.541 -12.149 -0.283 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.180 -13.292 -1.933 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.293 -13.315 -0.095 1.00 0.00 C ATOM 903 CE2 PHE B 29 65.931 -14.458 -1.744 1.00 0.00 C ATOM 904 CZ PHE B 29 66.987 -14.469 -0.825 1.00 0.00 C ATOM 0 H PHE B 29 63.779 -8.669 -1.997 1.00 0.00 H new ATOM 0 HA PHE B 29 66.404 -9.670 -1.849 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.468 -10.407 -0.440 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.711 -11.120 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.776 -11.259 0.281 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.366 -13.283 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.109 -13.324 0.613 1.00 0.00 H new ATOM 0 HE2 PHE B 29 65.696 -15.349 -2.307 1.00 0.00 H new ATOM 0 HZ PHE B 29 67.566 -15.369 -0.679 1.00 0.00 H new ATOM 914 N LEU B 30 64.642 -10.671 -4.465 1.00 0.00 N ATOM 915 CA LEU B 30 64.765 -11.285 -5.782 1.00 0.00 C ATOM 916 C LEU B 30 65.707 -10.474 -6.667 1.00 0.00 C ATOM 917 O LEU B 30 66.482 -11.035 -7.441 1.00 0.00 O ATOM 918 CB LEU B 30 63.389 -11.376 -6.449 1.00 0.00 C ATOM 919 CG LEU B 30 62.472 -12.306 -5.638 1.00 0.00 C ATOM 920 CD1 LEU B 30 61.039 -12.176 -6.163 1.00 0.00 C ATOM 921 CD2 LEU B 30 62.938 -13.770 -5.764 1.00 0.00 C ATOM 0 H LEU B 30 63.705 -10.342 -4.233 1.00 0.00 H new ATOM 0 HA LEU B 30 65.175 -12.287 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU B 30 62.944 -10.384 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU B 30 63.493 -11.752 -7.467 1.00 0.00 H new ATOM 0 HG LEU B 30 62.513 -12.019 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU B 30 60.382 -12.833 -5.593 1.00 0.00 H new ATOM 0 HD12 LEU B 30 60.704 -11.144 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU B 30 61.010 -12.458 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU B 30 62.277 -14.413 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU B 30 62.910 -14.072 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU B 30 63.957 -13.861 -5.387 1.00 0.00 H new ATOM 933 N GLY B 31 65.634 -9.153 -6.548 1.00 0.00 N ATOM 934 CA GLY B 31 66.486 -8.275 -7.344 1.00 0.00 C ATOM 935 C GLY B 31 67.940 -8.732 -7.297 1.00 0.00 C ATOM 936 O GLY B 31 68.668 -8.616 -8.283 1.00 0.00 O ATOM 0 H GLY B 31 64.999 -8.669 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY B 31 66.138 -8.264 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY B 31 66.410 -7.254 -6.971 1.00 0.00 H new ATOM 940 N ARG B 32 68.359 -9.250 -6.147 1.00 0.00 N ATOM 941 CA ARG B 32 69.732 -9.720 -5.988 1.00 0.00 C ATOM 942 C ARG B 32 70.719 -8.648 -6.435 1.00 0.00 C ATOM 943 O ARG B 32 71.160 -8.635 -7.584 1.00 0.00 O ATOM 944 CB ARG B 32 69.947 -10.992 -6.812 1.00 0.00 C ATOM 945 CG ARG B 32 71.356 -11.532 -6.561 1.00 0.00 C ATOM 946 CD ARG B 32 71.538 -12.855 -7.306 1.00 0.00 C ATOM 947 NE ARG B 32 72.891 -13.366 -7.108 1.00 0.00 N ATOM 948 CZ ARG B 32 73.211 -14.068 -6.025 1.00 0.00 C ATOM 949 NH1 ARG B 32 72.309 -14.310 -5.114 1.00 0.00 N ATOM 950 NH2 ARG B 32 74.429 -14.515 -5.873 1.00 0.00 N ATOM 0 H ARG B 32 67.774 -9.355 -5.318 1.00 0.00 H new ATOM 0 HA ARG B 32 69.903 -9.938 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG B 32 69.205 -11.743 -6.541 1.00 0.00 H new ATOM 0 HB3 ARG B 32 69.812 -10.778 -7.872 1.00 0.00 H new ATOM 0 HG2 ARG B 32 72.099 -10.809 -6.897 1.00 0.00 H new ATOM 0 HG3 ARG B 32 71.515 -11.680 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG B 32 70.811 -13.584 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG B 32 71.349 -12.710 -8.370 1.00 0.00 H new ATOM 0 HE ARG B 32 73.604 -13.181 -7.813 1.00 0.00 H new ATOM 0 HH11 ARG B 32 71.358 -13.961 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG B 32 72.555 -14.849 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG B 32 75.134 -14.325 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG B 32 74.675 -15.053 -5.042 1.00 0.00 H new ATOM 964 N LEU B 33 71.063 -7.749 -5.518 1.00 0.00 N ATOM 965 CA LEU B 33 72.000 -6.675 -5.827 1.00 0.00 C ATOM 966 C LEU B 33 71.633 -6.011 -7.150 1.00 0.00 C ATOM 967 CB LEU B 33 73.426 -7.228 -5.907 1.00 0.00 C ATOM 968 CG LEU B 33 73.671 -8.198 -4.748 1.00 0.00 C ATOM 969 CD1 LEU B 33 75.141 -8.625 -4.742 1.00 0.00 C ATOM 970 CD2 LEU B 33 73.336 -7.512 -3.420 1.00 0.00 C ATOM 0 H LEU B 33 70.710 -7.742 -4.561 1.00 0.00 H new ATOM 0 HA LEU B 33 71.946 -5.931 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU B 33 73.575 -7.738 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU B 33 74.146 -6.410 -5.868 1.00 0.00 H new ATOM 0 HG LEU B 33 73.036 -9.075 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU B 33 75.316 -9.316 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU B 33 75.381 -9.117 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU B 33 75.775 -7.746 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU B 33 73.512 -8.206 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU B 33 73.968 -6.633 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU B 33 72.289 -7.208 -3.421 1.00 0.00 H new TER 982 LEU B 33