USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=11 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+ 160:sc= 0.0626 (180deg=0.00787) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00571 USER MOD Single : A 5 SER OG : rot 49:sc= 0.829 USER MOD Single : A 20 THR OG1 : rot 76:sc= -1.11 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 47:sc= 0.0909 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -150:sc= -0.742 USER MOD Single : B 20 THR OG1 : rot 170:sc= -1.78 USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 41.824 13.775 24.510 1.00 0.00 N ATOM 2 CA CYS A 1 41.571 13.111 23.200 1.00 0.00 C ATOM 3 C CYS A 1 40.186 13.501 22.695 1.00 0.00 C ATOM 4 O CYS A 1 39.223 12.752 22.854 1.00 0.00 O ATOM 5 CB CYS A 1 41.654 11.593 23.378 1.00 0.00 C ATOM 6 SG CYS A 1 43.375 11.111 23.661 1.00 0.00 S ATOM 0 H1 CYS A 1 42.582 13.272 25.013 1.00 0.00 H new ATOM 0 H2 CYS A 1 42.110 14.762 24.349 1.00 0.00 H new ATOM 0 H3 CYS A 1 40.956 13.755 25.083 1.00 0.00 H new ATOM 0 HA CYS A 1 42.319 13.429 22.474 1.00 0.00 H new ATOM 0 HB2 CYS A 1 41.035 11.281 24.219 1.00 0.00 H new ATOM 0 HB3 CYS A 1 41.266 11.091 22.492 1.00 0.00 H new ATOM 10 N SER A 2 40.094 14.678 22.084 1.00 0.00 N ATOM 11 CA SER A 2 38.821 15.157 21.559 1.00 0.00 C ATOM 12 C SER A 2 38.385 14.317 20.363 1.00 0.00 C ATOM 13 O SER A 2 39.214 13.722 19.674 1.00 0.00 O ATOM 14 CB SER A 2 38.947 16.622 21.140 1.00 0.00 C ATOM 15 OG SER A 2 39.169 17.422 22.295 1.00 0.00 O ATOM 0 H SER A 2 40.879 15.313 21.941 1.00 0.00 H new ATOM 0 HA SER A 2 38.069 15.068 22.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 39.771 16.742 20.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 38.041 16.945 20.628 1.00 0.00 H new ATOM 0 HG SER A 2 39.252 18.362 22.031 1.00 0.00 H new ATOM 21 N THR A 3 37.078 14.271 20.123 1.00 0.00 N ATOM 22 CA THR A 3 36.542 13.499 19.008 1.00 0.00 C ATOM 23 C THR A 3 37.339 13.770 17.738 1.00 0.00 C ATOM 24 O THR A 3 37.176 14.810 17.101 1.00 0.00 O ATOM 25 CB THR A 3 35.073 13.861 18.778 1.00 0.00 C ATOM 26 OG1 THR A 3 34.366 13.771 20.007 1.00 0.00 O ATOM 27 CG2 THR A 3 34.462 12.897 17.762 1.00 0.00 C ATOM 0 H THR A 3 36.375 14.756 20.681 1.00 0.00 H new ATOM 0 HA THR A 3 36.620 12.440 19.254 1.00 0.00 H new ATOM 0 HB THR A 3 35.005 14.879 18.395 1.00 0.00 H new ATOM 0 HG1 THR A 3 33.425 14.004 19.861 1.00 0.00 H new ATOM 0 HG21 THR A 3 33.416 13.155 17.599 1.00 0.00 H new ATOM 0 HG22 THR A 3 35.005 12.969 16.820 1.00 0.00 H new ATOM 0 HG23 THR A 3 34.529 11.878 18.142 1.00 0.00 H new ATOM 35 N VAL A 4 38.203 12.826 17.375 1.00 0.00 N ATOM 36 CA VAL A 4 39.021 12.975 16.178 1.00 0.00 C ATOM 37 C VAL A 4 38.183 12.742 14.924 1.00 0.00 C ATOM 38 O VAL A 4 36.958 12.856 14.953 1.00 0.00 O ATOM 39 CB VAL A 4 40.184 11.981 16.211 1.00 0.00 C ATOM 40 CG1 VAL A 4 41.013 12.206 17.476 1.00 0.00 C ATOM 41 CG2 VAL A 4 39.634 10.553 16.210 1.00 0.00 C ATOM 0 H VAL A 4 38.353 11.957 17.888 1.00 0.00 H new ATOM 0 HA VAL A 4 39.415 13.991 16.154 1.00 0.00 H new ATOM 0 HB VAL A 4 40.813 12.130 15.333 1.00 0.00 H new ATOM 0 HG11 VAL A 4 41.841 11.498 17.499 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.405 13.223 17.478 1.00 0.00 H new ATOM 0 HG13 VAL A 4 40.384 12.058 18.354 1.00 0.00 H new ATOM 0 HG21 VAL A 4 40.462 9.844 16.233 1.00 0.00 H new ATOM 0 HG22 VAL A 4 39.005 10.405 17.087 1.00 0.00 H new ATOM 0 HG23 VAL A 4 39.043 10.391 15.308 1.00 0.00 H new ATOM 51 N SER A 5 38.856 12.419 13.818 1.00 0.00 N ATOM 52 CA SER A 5 38.175 12.173 12.545 1.00 0.00 C ATOM 53 C SER A 5 38.747 10.920 11.868 1.00 0.00 C ATOM 54 O SER A 5 39.806 10.990 11.245 1.00 0.00 O ATOM 55 CB SER A 5 38.378 13.378 11.625 1.00 0.00 C ATOM 56 OG SER A 5 39.767 13.654 11.509 1.00 0.00 O ATOM 0 H SER A 5 39.871 12.322 13.778 1.00 0.00 H new ATOM 0 HA SER A 5 37.113 12.020 12.735 1.00 0.00 H new ATOM 0 HB2 SER A 5 37.953 13.175 10.642 1.00 0.00 H new ATOM 0 HB3 SER A 5 37.855 14.247 12.025 1.00 0.00 H new ATOM 0 HG SER A 5 40.249 12.827 11.299 1.00 0.00 H new ATOM 62 N PRO A 6 38.097 9.776 11.974 1.00 0.00 N ATOM 63 CA PRO A 6 38.605 8.524 11.351 1.00 0.00 C ATOM 64 C PRO A 6 38.300 8.462 9.852 1.00 0.00 C ATOM 65 O PRO A 6 38.160 7.380 9.282 1.00 0.00 O ATOM 66 CB PRO A 6 37.874 7.421 12.123 1.00 0.00 C ATOM 67 CG PRO A 6 36.569 8.033 12.527 1.00 0.00 C ATOM 68 CD PRO A 6 36.822 9.542 12.686 1.00 0.00 C ATOM 0 HA PRO A 6 39.690 8.438 11.411 1.00 0.00 H new ATOM 0 HB2 PRO A 6 37.721 6.539 11.501 1.00 0.00 H new ATOM 0 HB3 PRO A 6 38.447 7.102 12.994 1.00 0.00 H new ATOM 0 HG2 PRO A 6 35.804 7.846 11.774 1.00 0.00 H new ATOM 0 HG3 PRO A 6 36.210 7.600 13.461 1.00 0.00 H new ATOM 0 HD2 PRO A 6 36.012 10.129 12.254 1.00 0.00 H new ATOM 0 HD3 PRO A 6 36.895 9.825 13.736 1.00 0.00 H new ATOM 76 N GLY A 7 38.194 9.630 9.221 1.00 0.00 N ATOM 77 CA GLY A 7 37.905 9.690 7.791 1.00 0.00 C ATOM 78 C GLY A 7 39.131 9.304 6.966 1.00 0.00 C ATOM 79 O GLY A 7 39.085 8.369 6.162 1.00 0.00 O ATOM 0 H GLY A 7 38.303 10.538 9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.078 9.020 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.585 10.697 7.523 1.00 0.00 H new ATOM 83 N VAL A 8 40.230 10.023 7.175 1.00 0.00 N ATOM 84 CA VAL A 8 41.460 9.734 6.447 1.00 0.00 C ATOM 85 C VAL A 8 41.867 8.281 6.669 1.00 0.00 C ATOM 86 O VAL A 8 42.503 7.664 5.815 1.00 0.00 O ATOM 87 CB VAL A 8 42.577 10.688 6.895 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.778 10.604 8.414 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.882 10.313 6.182 1.00 0.00 C ATOM 0 H VAL A 8 40.294 10.800 7.833 1.00 0.00 H new ATOM 0 HA VAL A 8 41.289 9.886 5.381 1.00 0.00 H new ATOM 0 HB VAL A 8 42.295 11.709 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 8 43.573 11.286 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.853 10.880 8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 8 43.051 9.585 8.689 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.677 10.989 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 8 44.154 9.289 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.744 10.395 5.104 1.00 0.00 H new ATOM 99 N LEU A 9 41.473 7.737 7.816 1.00 0.00 N ATOM 100 CA LEU A 9 41.769 6.346 8.147 1.00 0.00 C ATOM 101 C LEU A 9 41.104 5.426 7.110 1.00 0.00 C ATOM 102 O LEU A 9 41.740 4.527 6.547 1.00 0.00 O ATOM 103 CB LEU A 9 41.224 6.032 9.555 1.00 0.00 C ATOM 104 CG LEU A 9 42.248 6.388 10.659 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.397 5.348 10.717 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.818 7.794 10.408 1.00 0.00 C ATOM 0 H LEU A 9 40.948 8.238 8.533 1.00 0.00 H new ATOM 0 HA LEU A 9 42.846 6.182 8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.302 6.589 9.721 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.973 4.973 9.620 1.00 0.00 H new ATOM 0 HG LEU A 9 41.733 6.372 11.620 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.100 5.626 11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.985 4.362 10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.915 5.324 9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.538 8.039 11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.313 7.818 9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.008 8.523 10.420 1.00 0.00 H new ATOM 118 N ALA A 10 39.820 5.674 6.851 1.00 0.00 N ATOM 119 CA ALA A 10 39.079 4.885 5.872 1.00 0.00 C ATOM 120 C ALA A 10 39.756 5.010 4.513 1.00 0.00 C ATOM 121 O ALA A 10 39.887 4.044 3.748 1.00 0.00 O ATOM 122 CB ALA A 10 37.637 5.389 5.777 1.00 0.00 C ATOM 0 H ALA A 10 39.276 6.410 7.303 1.00 0.00 H new ATOM 0 HA ALA A 10 39.068 3.840 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.091 4.795 5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.155 5.297 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.637 6.435 5.469 1.00 0.00 H new ATOM 128 N GLY A 11 40.209 6.218 4.234 1.00 0.00 N ATOM 129 CA GLY A 11 40.893 6.491 2.981 1.00 0.00 C ATOM 130 C GLY A 11 42.144 5.632 2.868 1.00 0.00 C ATOM 131 O GLY A 11 42.496 5.154 1.786 1.00 0.00 O ATOM 0 H GLY A 11 40.117 7.023 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.227 6.288 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.161 7.546 2.927 1.00 0.00 H new ATOM 135 N ILE A 12 42.818 5.435 3.995 1.00 0.00 N ATOM 136 CA ILE A 12 44.027 4.633 3.997 1.00 0.00 C ATOM 137 C ILE A 12 43.714 3.176 3.668 1.00 0.00 C ATOM 138 O ILE A 12 44.432 2.564 2.888 1.00 0.00 O ATOM 139 CB ILE A 12 44.746 4.732 5.351 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.296 6.169 5.545 1.00 0.00 C ATOM 141 CG2 ILE A 12 45.890 3.697 5.413 1.00 0.00 C ATOM 142 CD1 ILE A 12 46.674 6.341 4.879 1.00 0.00 C ATOM 0 H ILE A 12 42.551 5.814 4.903 1.00 0.00 H new ATOM 0 HA ILE A 12 44.690 5.025 3.225 1.00 0.00 H new ATOM 0 HB ILE A 12 44.042 4.517 6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.594 6.888 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.375 6.389 6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.396 3.772 6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.480 2.694 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.602 3.894 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 12 47.029 7.360 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 12 47.381 5.639 5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 12 46.588 6.146 3.810 1.00 0.00 H new ATOM 154 N VAL A 13 42.651 2.612 4.246 1.00 0.00 N ATOM 155 CA VAL A 13 42.333 1.213 3.935 1.00 0.00 C ATOM 156 C VAL A 13 42.191 1.074 2.423 1.00 0.00 C ATOM 157 O VAL A 13 42.714 0.134 1.818 1.00 0.00 O ATOM 158 CB VAL A 13 41.066 0.698 4.676 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.862 1.476 5.969 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.802 0.825 3.807 1.00 0.00 C ATOM 0 H VAL A 13 42.021 3.074 4.902 1.00 0.00 H new ATOM 0 HA VAL A 13 43.149 0.586 4.293 1.00 0.00 H new ATOM 0 HB VAL A 13 41.227 -0.358 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.972 1.107 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.731 1.344 6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.737 2.534 5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 13 38.940 0.454 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.643 1.871 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 13 39.926 0.239 2.896 1.00 0.00 H new ATOM 170 N VAL A 14 41.513 2.036 1.800 1.00 0.00 N ATOM 171 CA VAL A 14 41.378 1.987 0.352 1.00 0.00 C ATOM 172 C VAL A 14 42.779 1.902 -0.245 1.00 0.00 C ATOM 173 O VAL A 14 43.037 1.136 -1.180 1.00 0.00 O ATOM 174 CB VAL A 14 40.657 3.233 -0.165 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.534 3.167 -1.689 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.257 3.302 0.449 1.00 0.00 C ATOM 0 H VAL A 14 41.065 2.830 2.257 1.00 0.00 H new ATOM 0 HA VAL A 14 40.787 1.119 0.061 1.00 0.00 H new ATOM 0 HB VAL A 14 41.228 4.118 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.020 4.057 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.528 3.117 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.966 2.280 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.742 4.190 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.693 2.413 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.338 3.353 1.535 1.00 0.00 H new ATOM 186 N GLY A 15 43.689 2.684 0.334 1.00 0.00 N ATOM 187 CA GLY A 15 45.075 2.689 -0.114 1.00 0.00 C ATOM 188 C GLY A 15 45.722 1.321 0.107 1.00 0.00 C ATOM 189 O GLY A 15 46.604 0.919 -0.646 1.00 0.00 O ATOM 0 H GLY A 15 43.491 3.317 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.119 2.951 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.634 3.452 0.427 1.00 0.00 H new ATOM 193 N ASP A 16 45.278 0.610 1.146 1.00 0.00 N ATOM 194 CA ASP A 16 45.825 -0.712 1.448 1.00 0.00 C ATOM 195 C ASP A 16 45.569 -1.655 0.286 1.00 0.00 C ATOM 196 O ASP A 16 46.480 -2.331 -0.191 1.00 0.00 O ATOM 197 CB ASP A 16 45.187 -1.281 2.718 1.00 0.00 C ATOM 198 CG ASP A 16 45.917 -2.552 3.140 1.00 0.00 C ATOM 199 OD1 ASP A 16 45.838 -3.526 2.411 1.00 0.00 O ATOM 200 OD2 ASP A 16 46.543 -2.533 4.187 1.00 0.00 O ATOM 0 H ASP A 16 44.549 0.924 1.786 1.00 0.00 H new ATOM 0 HA ASP A 16 46.899 -0.613 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.230 -0.543 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.134 -1.498 2.541 1.00 0.00 H new ATOM 205 N LEU A 17 44.325 -1.686 -0.176 1.00 0.00 N ATOM 206 CA LEU A 17 43.972 -2.548 -1.298 1.00 0.00 C ATOM 207 C LEU A 17 44.769 -2.131 -2.536 1.00 0.00 C ATOM 208 O LEU A 17 45.244 -2.978 -3.299 1.00 0.00 O ATOM 209 CB LEU A 17 42.464 -2.452 -1.584 1.00 0.00 C ATOM 210 CG LEU A 17 41.694 -3.364 -0.623 1.00 0.00 C ATOM 211 CD1 LEU A 17 41.935 -2.911 0.819 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.197 -3.288 -0.936 1.00 0.00 C ATOM 0 H LEU A 17 43.555 -1.134 0.201 1.00 0.00 H new ATOM 0 HA LEU A 17 44.215 -3.580 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.128 -1.421 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.261 -2.741 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 17 42.041 -4.390 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.387 -3.561 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.000 -2.965 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.590 -1.884 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.649 -3.937 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.852 -2.261 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.023 -3.612 -1.962 1.00 0.00 H new ATOM 224 N VAL A 18 44.914 -0.821 -2.723 1.00 0.00 N ATOM 225 CA VAL A 18 45.654 -0.298 -3.868 1.00 0.00 C ATOM 226 C VAL A 18 47.115 -0.756 -3.840 1.00 0.00 C ATOM 227 O VAL A 18 47.668 -1.129 -4.869 1.00 0.00 O ATOM 228 CB VAL A 18 45.593 1.234 -3.870 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.489 1.787 -4.985 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.149 1.688 -4.106 1.00 0.00 C ATOM 0 H VAL A 18 44.532 -0.108 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 18 45.192 -0.686 -4.776 1.00 0.00 H new ATOM 0 HB VAL A 18 45.941 1.608 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.443 2.876 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.518 1.467 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.145 1.411 -5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.106 2.777 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.801 1.310 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.511 1.301 -3.311 1.00 0.00 H new ATOM 240 N LEU A 19 47.738 -0.709 -2.665 1.00 0.00 N ATOM 241 CA LEU A 19 49.139 -1.112 -2.526 1.00 0.00 C ATOM 242 C LEU A 19 49.317 -2.596 -2.832 1.00 0.00 C ATOM 243 O LEU A 19 50.242 -2.984 -3.542 1.00 0.00 O ATOM 244 CB LEU A 19 49.620 -0.841 -1.098 1.00 0.00 C ATOM 245 CG LEU A 19 49.724 0.674 -0.846 1.00 0.00 C ATOM 246 CD1 LEU A 19 49.732 0.935 0.662 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.018 1.237 -1.461 1.00 0.00 C ATOM 0 H LEU A 19 47.299 -0.398 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 19 49.726 -0.531 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 19 48.929 -1.288 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.591 -1.310 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 19 48.869 1.166 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 19 49.806 2.007 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 19 48.810 0.554 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.586 0.430 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.074 2.309 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 19 51.879 0.744 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.018 1.057 -2.536 1.00 0.00 H new ATOM 259 N THR A 20 48.441 -3.420 -2.279 1.00 0.00 N ATOM 260 CA THR A 20 48.533 -4.860 -2.489 1.00 0.00 C ATOM 261 C THR A 20 48.493 -5.197 -3.976 1.00 0.00 C ATOM 262 O THR A 20 49.349 -5.924 -4.483 1.00 0.00 O ATOM 263 CB THR A 20 47.372 -5.561 -1.781 1.00 0.00 C ATOM 264 OG1 THR A 20 47.249 -5.052 -0.462 1.00 0.00 O ATOM 265 CG2 THR A 20 47.635 -7.067 -1.725 1.00 0.00 C ATOM 0 H THR A 20 47.665 -3.123 -1.687 1.00 0.00 H new ATOM 0 HA THR A 20 49.482 -5.205 -2.077 1.00 0.00 H new ATOM 0 HB THR A 20 46.449 -5.378 -2.331 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.832 -4.166 -0.491 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.806 -7.563 -1.220 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.729 -7.458 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.558 -7.255 -1.177 1.00 0.00 H new ATOM 273 N VAL A 21 47.487 -4.676 -4.666 1.00 0.00 N ATOM 274 CA VAL A 21 47.334 -4.946 -6.092 1.00 0.00 C ATOM 275 C VAL A 21 48.391 -4.223 -6.925 1.00 0.00 C ATOM 276 O VAL A 21 48.736 -4.670 -8.017 1.00 0.00 O ATOM 277 CB VAL A 21 45.941 -4.511 -6.551 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.768 -4.820 -8.039 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.880 -5.268 -5.748 1.00 0.00 C ATOM 0 H VAL A 21 46.770 -4.069 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 21 47.463 -6.018 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 21 45.827 -3.439 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.775 -4.509 -8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.522 -4.281 -8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.884 -5.891 -8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.887 -4.959 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.997 -6.340 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.999 -5.046 -4.688 1.00 0.00 H new ATOM 289 N LEU A 22 48.880 -3.098 -6.423 1.00 0.00 N ATOM 290 CA LEU A 22 49.874 -2.317 -7.153 1.00 0.00 C ATOM 291 C LEU A 22 51.238 -3.002 -7.161 1.00 0.00 C ATOM 292 O LEU A 22 51.831 -3.191 -8.221 1.00 0.00 O ATOM 293 CB LEU A 22 49.990 -0.917 -6.531 1.00 0.00 C ATOM 294 CG LEU A 22 51.094 -0.101 -7.225 1.00 0.00 C ATOM 295 CD1 LEU A 22 50.840 -0.041 -8.738 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.096 1.320 -6.652 1.00 0.00 C ATOM 0 H LEU A 22 48.609 -2.706 -5.521 1.00 0.00 H new ATOM 0 HA LEU A 22 49.542 -2.234 -8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.037 -0.395 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.210 -1.004 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 22 52.058 -0.578 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 22 51.629 0.539 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 22 50.834 -1.052 -9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 22 49.876 0.432 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.876 1.907 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.127 1.786 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.287 1.280 -5.580 1.00 0.00 H new ATOM 308 N ILE A 23 51.739 -3.367 -5.985 1.00 0.00 N ATOM 309 CA ILE A 23 53.041 -4.018 -5.910 1.00 0.00 C ATOM 310 C ILE A 23 52.953 -5.421 -6.495 1.00 0.00 C ATOM 311 O ILE A 23 53.879 -5.875 -7.162 1.00 0.00 O ATOM 312 CB ILE A 23 53.550 -4.109 -4.462 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.383 -2.753 -3.733 1.00 0.00 C ATOM 314 CG2 ILE A 23 55.034 -4.529 -4.472 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.496 -1.767 -4.106 1.00 0.00 C ATOM 0 H ILE A 23 51.274 -3.227 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 23 53.743 -3.413 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 23 52.962 -4.854 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.415 -2.321 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.388 -2.916 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.400 -4.595 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 23 55.134 -5.500 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.618 -3.789 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.343 -0.828 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.463 -2.188 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.474 -1.583 -5.180 1.00 0.00 H new ATOM 327 N ALA A 24 51.844 -6.111 -6.232 1.00 0.00 N ATOM 328 CA ALA A 24 51.672 -7.470 -6.737 1.00 0.00 C ATOM 329 C ALA A 24 51.544 -7.485 -8.258 1.00 0.00 C ATOM 330 O ALA A 24 52.136 -8.334 -8.927 1.00 0.00 O ATOM 331 CB ALA A 24 50.429 -8.106 -6.114 1.00 0.00 C ATOM 0 H ALA A 24 51.062 -5.757 -5.680 1.00 0.00 H new ATOM 0 HA ALA A 24 52.557 -8.044 -6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 24 50.308 -9.120 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 24 50.541 -8.138 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.550 -7.514 -6.371 1.00 0.00 H new ATOM 337 N LEU A 25 50.773 -6.549 -8.803 1.00 0.00 N ATOM 338 CA LEU A 25 50.587 -6.482 -10.250 1.00 0.00 C ATOM 339 C LEU A 25 51.871 -6.013 -10.925 1.00 0.00 C ATOM 340 O LEU A 25 52.222 -6.479 -12.010 1.00 0.00 O ATOM 341 CB LEU A 25 49.440 -5.519 -10.586 1.00 0.00 C ATOM 342 CG LEU A 25 49.283 -5.370 -12.110 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.104 -6.746 -12.768 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.053 -4.502 -12.400 1.00 0.00 C ATOM 0 H LEU A 25 50.273 -5.835 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 25 50.338 -7.477 -10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.510 -5.889 -10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.634 -4.544 -10.138 1.00 0.00 H new ATOM 0 HG LEU A 25 50.179 -4.902 -12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 48.994 -6.623 -13.845 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.977 -7.365 -12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.213 -7.229 -12.366 1.00 0.00 H new ATOM 0 HD21 LEU A 25 47.933 -4.390 -13.478 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.165 -4.978 -11.983 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.185 -3.520 -11.946 1.00 0.00 H new ATOM 356 N ALA A 26 52.556 -5.076 -10.281 1.00 0.00 N ATOM 357 CA ALA A 26 53.791 -4.529 -10.829 1.00 0.00 C ATOM 358 C ALA A 26 54.908 -5.569 -10.854 1.00 0.00 C ATOM 359 O ALA A 26 55.579 -5.734 -11.874 1.00 0.00 O ATOM 360 CB ALA A 26 54.241 -3.325 -10.003 1.00 0.00 C ATOM 0 H ALA A 26 52.279 -4.680 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 26 53.587 -4.223 -11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.164 -2.923 -10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.467 -2.558 -10.027 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.413 -3.635 -8.972 1.00 0.00 H new ATOM 366 N VAL A 27 55.130 -6.255 -9.735 1.00 0.00 N ATOM 367 CA VAL A 27 56.198 -7.248 -9.681 1.00 0.00 C ATOM 368 C VAL A 27 55.859 -8.472 -10.525 1.00 0.00 C ATOM 369 O VAL A 27 56.727 -9.031 -11.198 1.00 0.00 O ATOM 370 CB VAL A 27 56.452 -7.667 -8.231 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.757 -6.419 -7.380 1.00 0.00 C ATOM 372 CG2 VAL A 27 55.218 -8.403 -7.674 1.00 0.00 C ATOM 0 H VAL A 27 54.598 -6.145 -8.872 1.00 0.00 H new ATOM 0 HA VAL A 27 57.101 -6.794 -10.090 1.00 0.00 H new ATOM 0 HB VAL A 27 57.308 -8.341 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.938 -6.718 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.642 -5.918 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.907 -5.737 -7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.406 -8.698 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 27 54.353 -7.741 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.022 -9.291 -8.275 1.00 0.00 H new ATOM 382 N TYR A 28 54.600 -8.888 -10.485 1.00 0.00 N ATOM 383 CA TYR A 28 54.172 -10.052 -11.252 1.00 0.00 C ATOM 384 C TYR A 28 54.323 -9.802 -12.752 1.00 0.00 C ATOM 385 O TYR A 28 54.831 -10.653 -13.482 1.00 0.00 O ATOM 386 CB TYR A 28 52.711 -10.380 -10.940 1.00 0.00 C ATOM 387 CG TYR A 28 52.280 -11.568 -11.767 1.00 0.00 C ATOM 388 CD1 TYR A 28 52.580 -12.866 -11.335 1.00 0.00 C ATOM 389 CD2 TYR A 28 51.583 -11.372 -12.965 1.00 0.00 C ATOM 390 CE1 TYR A 28 52.182 -13.967 -12.103 1.00 0.00 C ATOM 391 CE2 TYR A 28 51.188 -12.473 -13.733 1.00 0.00 C ATOM 392 CZ TYR A 28 51.486 -13.771 -13.302 1.00 0.00 C ATOM 393 OH TYR A 28 51.096 -14.857 -14.058 1.00 0.00 O ATOM 0 H TYR A 28 53.864 -8.443 -9.936 1.00 0.00 H new ATOM 0 HA TYR A 28 54.805 -10.893 -10.969 1.00 0.00 H new ATOM 0 HB2 TYR A 28 52.594 -10.599 -9.879 1.00 0.00 H new ATOM 0 HB3 TYR A 28 52.078 -9.520 -11.160 1.00 0.00 H new ATOM 0 HD1 TYR A 28 53.118 -13.018 -10.411 1.00 0.00 H new ATOM 0 HD2 TYR A 28 51.350 -10.371 -13.297 1.00 0.00 H new ATOM 0 HE1 TYR A 28 52.412 -14.968 -11.770 1.00 0.00 H new ATOM 0 HE2 TYR A 28 50.653 -12.321 -14.659 1.00 0.00 H new ATOM 0 HH TYR A 28 50.623 -14.546 -14.858 1.00 0.00 H new ATOM 403 N PHE A 29 53.865 -8.638 -13.207 1.00 0.00 N ATOM 404 CA PHE A 29 53.944 -8.300 -14.625 1.00 0.00 C ATOM 405 C PHE A 29 55.394 -8.178 -15.087 1.00 0.00 C ATOM 406 O PHE A 29 55.801 -8.827 -16.050 1.00 0.00 O ATOM 407 CB PHE A 29 53.211 -6.981 -14.881 1.00 0.00 C ATOM 408 CG PHE A 29 53.352 -6.596 -16.336 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.607 -7.268 -17.312 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.227 -5.567 -16.709 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.736 -6.913 -18.660 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.356 -5.212 -18.057 1.00 0.00 C ATOM 413 CZ PHE A 29 53.610 -5.885 -19.033 1.00 0.00 C ATOM 0 H PHE A 29 53.440 -7.920 -12.621 1.00 0.00 H new ATOM 0 HA PHE A 29 53.473 -9.103 -15.192 1.00 0.00 H new ATOM 0 HB2 PHE A 29 52.157 -7.083 -14.622 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.621 -6.196 -14.245 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.932 -8.061 -17.025 1.00 0.00 H new ATOM 0 HD2 PHE A 29 54.802 -5.048 -15.956 1.00 0.00 H new ATOM 0 HE1 PHE A 29 52.161 -7.432 -19.412 1.00 0.00 H new ATOM 0 HE2 PHE A 29 55.031 -4.419 -18.344 1.00 0.00 H new ATOM 0 HZ PHE A 29 53.709 -5.611 -20.073 1.00 0.00 H new ATOM 423 N LEU A 30 56.167 -7.347 -14.396 1.00 0.00 N ATOM 424 CA LEU A 30 57.570 -7.148 -14.747 1.00 0.00 C ATOM 425 C LEU A 30 58.253 -6.267 -13.707 1.00 0.00 C ATOM 426 O LEU A 30 58.470 -5.076 -13.932 1.00 0.00 O ATOM 427 CB LEU A 30 57.680 -6.493 -16.132 1.00 0.00 C ATOM 428 CG LEU A 30 59.154 -6.369 -16.554 1.00 0.00 C ATOM 429 CD1 LEU A 30 59.787 -7.765 -16.708 1.00 0.00 C ATOM 430 CD2 LEU A 30 59.226 -5.620 -17.890 1.00 0.00 C ATOM 0 H LEU A 30 55.849 -6.803 -13.594 1.00 0.00 H new ATOM 0 HA LEU A 30 58.064 -8.119 -14.770 1.00 0.00 H new ATOM 0 HB2 LEU A 30 57.134 -7.086 -16.866 1.00 0.00 H new ATOM 0 HB3 LEU A 30 57.217 -5.506 -16.112 1.00 0.00 H new ATOM 0 HG LEU A 30 59.704 -5.822 -15.788 1.00 0.00 H new ATOM 0 HD11 LEU A 30 60.830 -7.661 -17.007 1.00 0.00 H new ATOM 0 HD12 LEU A 30 59.733 -8.296 -15.757 1.00 0.00 H new ATOM 0 HD13 LEU A 30 59.246 -8.328 -17.469 1.00 0.00 H new ATOM 0 HD21 LEU A 30 60.267 -5.526 -18.199 1.00 0.00 H new ATOM 0 HD22 LEU A 30 58.671 -6.173 -18.648 1.00 0.00 H new ATOM 0 HD23 LEU A 30 58.791 -4.627 -17.774 1.00 0.00 H new ATOM 442 N GLY A 31 58.590 -6.859 -12.567 1.00 0.00 N ATOM 443 CA GLY A 31 59.249 -6.117 -11.499 1.00 0.00 C ATOM 444 C GLY A 31 60.548 -5.488 -11.990 1.00 0.00 C ATOM 445 O GLY A 31 61.063 -5.849 -13.048 1.00 0.00 O ATOM 0 H GLY A 31 58.419 -7.843 -12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 31 58.582 -5.339 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 31 59.458 -6.785 -10.663 1.00 0.00 H new ATOM 449 N ARG A 32 61.072 -4.545 -11.214 1.00 0.00 N ATOM 450 CA ARG A 32 62.313 -3.871 -11.579 1.00 0.00 C ATOM 451 C ARG A 32 63.485 -4.843 -11.505 1.00 0.00 C ATOM 452 O ARG A 32 64.598 -4.520 -11.921 1.00 0.00 O ATOM 453 CB ARG A 32 62.568 -2.693 -10.638 1.00 0.00 C ATOM 454 CG ARG A 32 61.293 -1.856 -10.494 1.00 0.00 C ATOM 455 CD ARG A 32 60.884 -1.284 -11.856 1.00 0.00 C ATOM 456 NE ARG A 32 62.053 -0.783 -12.570 1.00 0.00 N ATOM 457 CZ ARG A 32 62.572 0.407 -12.287 1.00 0.00 C ATOM 458 NH1 ARG A 32 62.037 1.147 -11.355 1.00 0.00 N ATOM 459 NH2 ARG A 32 63.617 0.835 -12.942 1.00 0.00 N ATOM 0 H ARG A 32 60.661 -4.232 -10.335 1.00 0.00 H new ATOM 0 HA ARG A 32 62.218 -3.503 -12.601 1.00 0.00 H new ATOM 0 HB2 ARG A 32 62.886 -3.058 -9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 32 63.378 -2.075 -11.026 1.00 0.00 H new ATOM 0 HG2 ARG A 32 60.488 -2.471 -10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 32 61.459 -1.045 -9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 32 60.391 -2.055 -12.448 1.00 0.00 H new ATOM 0 HD3 ARG A 32 60.162 -0.479 -11.717 1.00 0.00 H new ATOM 0 HE ARG A 32 62.479 -1.356 -13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 32 61.220 0.812 -10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 32 62.435 2.061 -11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 32 64.035 0.256 -13.671 1.00 0.00 H new ATOM 0 HH22 ARG A 32 64.016 1.748 -12.725 1.00 0.00 H new ATOM 473 N LEU A 33 63.228 -6.033 -10.974 1.00 0.00 N ATOM 474 CA LEU A 33 64.270 -7.046 -10.850 1.00 0.00 C ATOM 475 C LEU A 33 65.450 -6.500 -10.051 1.00 0.00 C ATOM 476 CB LEU A 33 64.740 -7.480 -12.246 1.00 0.00 C ATOM 477 CG LEU A 33 65.780 -8.608 -12.140 1.00 0.00 C ATOM 478 CD1 LEU A 33 65.151 -9.856 -11.494 1.00 0.00 C ATOM 479 CD2 LEU A 33 66.281 -8.950 -13.549 1.00 0.00 C ATOM 0 H LEU A 33 62.313 -6.319 -10.624 1.00 0.00 H new ATOM 0 HA LEU A 33 63.861 -7.908 -10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 33 63.887 -7.819 -12.834 1.00 0.00 H new ATOM 0 HB3 LEU A 33 65.172 -6.628 -12.772 1.00 0.00 H new ATOM 0 HG LEU A 33 66.612 -8.279 -11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 33 65.899 -10.646 -11.425 1.00 0.00 H new ATOM 0 HD12 LEU A 33 64.793 -9.607 -10.495 1.00 0.00 H new ATOM 0 HD13 LEU A 33 64.315 -10.199 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 33 67.020 -9.749 -13.488 1.00 0.00 H new ATOM 0 HD22 LEU A 33 65.442 -9.277 -14.164 1.00 0.00 H new ATOM 0 HD23 LEU A 33 66.737 -8.067 -13.997 1.00 0.00 H new TER 491 LEU A 33 ATOM 492 N CYS B 1 42.893 6.627 26.631 1.00 0.00 N ATOM 493 CA CYS B 1 42.659 7.222 25.286 1.00 0.00 C ATOM 494 C CYS B 1 43.011 6.199 24.211 1.00 0.00 C ATOM 495 O CYS B 1 42.150 5.451 23.747 1.00 0.00 O ATOM 496 CB CYS B 1 43.528 8.471 25.125 1.00 0.00 C ATOM 497 SG CYS B 1 43.370 9.104 23.438 1.00 0.00 S ATOM 0 H1 CYS B 1 42.653 7.324 27.365 1.00 0.00 H new ATOM 0 H2 CYS B 1 42.296 5.783 26.746 1.00 0.00 H new ATOM 0 H3 CYS B 1 43.893 6.358 26.722 1.00 0.00 H new ATOM 0 HA CYS B 1 41.610 7.501 25.184 1.00 0.00 H new ATOM 0 HB2 CYS B 1 43.223 9.234 25.841 1.00 0.00 H new ATOM 0 HB3 CYS B 1 44.570 8.232 25.339 1.00 0.00 H new ATOM 501 N SER B 2 44.281 6.171 23.821 1.00 0.00 N ATOM 502 CA SER B 2 44.735 5.233 22.800 1.00 0.00 C ATOM 503 C SER B 2 43.798 5.260 21.596 1.00 0.00 C ATOM 504 O SER B 2 43.125 4.273 21.299 1.00 0.00 O ATOM 505 CB SER B 2 44.790 3.819 23.379 1.00 0.00 C ATOM 506 OG SER B 2 43.602 3.568 24.119 1.00 0.00 O ATOM 0 H SER B 2 45.009 6.781 24.192 1.00 0.00 H new ATOM 0 HA SER B 2 45.732 5.529 22.475 1.00 0.00 H new ATOM 0 HB2 SER B 2 44.893 3.089 22.576 1.00 0.00 H new ATOM 0 HB3 SER B 2 45.663 3.711 24.023 1.00 0.00 H new ATOM 0 HG SER B 2 42.824 3.852 23.595 1.00 0.00 H new ATOM 512 N THR B 3 43.761 6.396 20.906 1.00 0.00 N ATOM 513 CA THR B 3 42.902 6.539 19.735 1.00 0.00 C ATOM 514 C THR B 3 41.463 6.167 20.079 1.00 0.00 C ATOM 515 O THR B 3 41.109 4.989 20.128 1.00 0.00 O ATOM 516 CB THR B 3 43.408 5.642 18.602 1.00 0.00 C ATOM 517 OG1 THR B 3 44.765 5.958 18.321 1.00 0.00 O ATOM 518 CG2 THR B 3 42.561 5.871 17.350 1.00 0.00 C ATOM 0 H THR B 3 44.311 7.224 21.135 1.00 0.00 H new ATOM 0 HA THR B 3 42.929 7.580 19.412 1.00 0.00 H new ATOM 0 HB THR B 3 43.331 4.597 18.904 1.00 0.00 H new ATOM 0 HG1 THR B 3 45.091 5.384 17.597 1.00 0.00 H new ATOM 0 HG21 THR B 3 42.922 5.232 16.544 1.00 0.00 H new ATOM 0 HG22 THR B 3 41.520 5.630 17.566 1.00 0.00 H new ATOM 0 HG23 THR B 3 42.636 6.915 17.046 1.00 0.00 H new ATOM 526 N VAL B 4 40.638 7.182 20.321 1.00 0.00 N ATOM 527 CA VAL B 4 39.238 6.957 20.664 1.00 0.00 C ATOM 528 C VAL B 4 38.487 6.329 19.494 1.00 0.00 C ATOM 529 O VAL B 4 37.571 5.530 19.689 1.00 0.00 O ATOM 530 CB VAL B 4 38.576 8.282 21.041 1.00 0.00 C ATOM 531 CG1 VAL B 4 39.351 8.930 22.189 1.00 0.00 C ATOM 532 CG2 VAL B 4 38.581 9.218 19.831 1.00 0.00 C ATOM 0 H VAL B 4 40.913 8.164 20.286 1.00 0.00 H new ATOM 0 HA VAL B 4 39.200 6.273 21.512 1.00 0.00 H new ATOM 0 HB VAL B 4 37.548 8.098 21.354 1.00 0.00 H new ATOM 0 HG11 VAL B 4 38.880 9.875 22.458 1.00 0.00 H new ATOM 0 HG12 VAL B 4 39.348 8.264 23.052 1.00 0.00 H new ATOM 0 HG13 VAL B 4 40.379 9.114 21.876 1.00 0.00 H new ATOM 0 HG21 VAL B 4 38.109 10.163 20.100 1.00 0.00 H new ATOM 0 HG22 VAL B 4 39.609 9.402 19.518 1.00 0.00 H new ATOM 0 HG23 VAL B 4 38.029 8.757 19.012 1.00 0.00 H new ATOM 542 N SER B 5 38.877 6.700 18.279 1.00 0.00 N ATOM 543 CA SER B 5 38.230 6.169 17.084 1.00 0.00 C ATOM 544 C SER B 5 38.605 4.698 16.888 1.00 0.00 C ATOM 545 O SER B 5 39.498 4.187 17.565 1.00 0.00 O ATOM 546 CB SER B 5 38.654 7.002 15.855 1.00 0.00 C ATOM 547 OG SER B 5 39.389 6.189 14.948 1.00 0.00 O ATOM 0 H SER B 5 39.632 7.361 18.096 1.00 0.00 H new ATOM 0 HA SER B 5 37.148 6.234 17.202 1.00 0.00 H new ATOM 0 HB2 SER B 5 37.773 7.409 15.359 1.00 0.00 H new ATOM 0 HB3 SER B 5 39.262 7.850 16.172 1.00 0.00 H new ATOM 0 HG SER B 5 40.033 6.743 14.460 1.00 0.00 H new ATOM 553 N PRO B 6 37.953 4.014 15.981 1.00 0.00 N ATOM 554 CA PRO B 6 38.243 2.577 15.704 1.00 0.00 C ATOM 555 C PRO B 6 39.740 2.292 15.672 1.00 0.00 C ATOM 556 O PRO B 6 40.376 2.340 14.621 1.00 0.00 O ATOM 557 CB PRO B 6 37.572 2.336 14.348 1.00 0.00 C ATOM 558 CG PRO B 6 36.430 3.302 14.308 1.00 0.00 C ATOM 559 CD PRO B 6 36.875 4.531 15.114 1.00 0.00 C ATOM 0 HA PRO B 6 37.866 1.910 16.480 1.00 0.00 H new ATOM 0 HB2 PRO B 6 38.267 2.511 13.527 1.00 0.00 H new ATOM 0 HB3 PRO B 6 37.223 1.307 14.257 1.00 0.00 H new ATOM 0 HG2 PRO B 6 36.189 3.577 13.281 1.00 0.00 H new ATOM 0 HG3 PRO B 6 35.532 2.860 14.738 1.00 0.00 H new ATOM 0 HD2 PRO B 6 37.233 5.328 14.463 1.00 0.00 H new ATOM 0 HD3 PRO B 6 36.054 4.944 15.700 1.00 0.00 H new ATOM 567 N GLY B 7 40.298 1.989 16.843 1.00 0.00 N ATOM 568 CA GLY B 7 41.722 1.692 16.943 1.00 0.00 C ATOM 569 C GLY B 7 42.128 0.710 15.856 1.00 0.00 C ATOM 570 O GLY B 7 43.273 0.707 15.398 1.00 0.00 O ATOM 0 H GLY B 7 39.790 1.943 17.726 1.00 0.00 H new ATOM 0 HA2 GLY B 7 42.301 2.611 16.848 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.946 1.274 17.924 1.00 0.00 H new ATOM 574 N VAL B 8 41.175 -0.117 15.437 1.00 0.00 N ATOM 575 CA VAL B 8 41.440 -1.090 14.393 1.00 0.00 C ATOM 576 C VAL B 8 41.894 -0.373 13.130 1.00 0.00 C ATOM 577 O VAL B 8 42.851 -0.795 12.479 1.00 0.00 O ATOM 578 CB VAL B 8 40.182 -1.907 14.095 1.00 0.00 C ATOM 579 CG1 VAL B 8 39.089 -0.983 13.555 1.00 0.00 C ATOM 580 CG2 VAL B 8 40.506 -2.977 13.048 1.00 0.00 C ATOM 0 H VAL B 8 40.223 -0.130 15.802 1.00 0.00 H new ATOM 0 HA VAL B 8 42.226 -1.765 14.733 1.00 0.00 H new ATOM 0 HB VAL B 8 39.834 -2.385 15.011 1.00 0.00 H new ATOM 0 HG11 VAL B 8 38.192 -1.565 13.343 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.858 -0.219 14.298 1.00 0.00 H new ATOM 0 HG13 VAL B 8 39.436 -0.505 12.639 1.00 0.00 H new ATOM 0 HG21 VAL B 8 39.610 -3.560 12.835 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.853 -2.497 12.133 1.00 0.00 H new ATOM 0 HG23 VAL B 8 41.285 -3.636 13.430 1.00 0.00 H new ATOM 590 N LEU B 9 41.215 0.725 12.792 1.00 0.00 N ATOM 591 CA LEU B 9 41.594 1.481 11.597 1.00 0.00 C ATOM 592 C LEU B 9 43.081 1.841 11.683 1.00 0.00 C ATOM 593 O LEU B 9 43.846 1.620 10.738 1.00 0.00 O ATOM 594 CB LEU B 9 40.723 2.757 11.474 1.00 0.00 C ATOM 595 CG LEU B 9 39.765 2.684 10.260 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.560 2.504 8.943 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.772 1.519 10.446 1.00 0.00 C ATOM 0 H LEU B 9 40.422 1.102 13.311 1.00 0.00 H new ATOM 0 HA LEU B 9 41.426 0.873 10.708 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.143 2.891 12.387 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.369 3.630 11.376 1.00 0.00 H new ATOM 0 HG LEU B 9 39.211 3.620 10.198 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.867 2.455 8.103 1.00 0.00 H new ATOM 0 HD12 LEU B 9 41.235 3.349 8.807 1.00 0.00 H new ATOM 0 HD13 LEU B 9 41.138 1.581 8.990 1.00 0.00 H new ATOM 0 HD21 LEU B 9 38.101 1.473 9.589 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.322 0.581 10.527 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.190 1.678 11.354 1.00 0.00 H new ATOM 609 N ALA B 10 43.490 2.374 12.830 1.00 0.00 N ATOM 610 CA ALA B 10 44.887 2.729 13.027 1.00 0.00 C ATOM 611 C ALA B 10 45.752 1.508 12.747 1.00 0.00 C ATOM 612 O ALA B 10 46.832 1.601 12.164 1.00 0.00 O ATOM 613 CB ALA B 10 45.114 3.204 14.462 1.00 0.00 C ATOM 0 H ALA B 10 42.882 2.567 13.626 1.00 0.00 H new ATOM 0 HA ALA B 10 45.155 3.537 12.346 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.163 3.467 14.597 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.493 4.078 14.658 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.848 2.406 15.156 1.00 0.00 H new ATOM 619 N GLY B 11 45.258 0.352 13.154 1.00 0.00 N ATOM 620 CA GLY B 11 45.987 -0.884 12.925 1.00 0.00 C ATOM 621 C GLY B 11 46.167 -1.121 11.429 1.00 0.00 C ATOM 622 O GLY B 11 47.196 -1.639 10.986 1.00 0.00 O ATOM 0 H GLY B 11 44.367 0.242 13.638 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.961 -0.836 13.413 1.00 0.00 H new ATOM 0 HA3 GLY B 11 45.448 -1.720 13.371 1.00 0.00 H new ATOM 626 N ILE B 12 45.159 -0.738 10.650 1.00 0.00 N ATOM 627 CA ILE B 12 45.227 -0.924 9.206 1.00 0.00 C ATOM 628 C ILE B 12 46.269 0.011 8.576 1.00 0.00 C ATOM 629 O ILE B 12 46.957 -0.401 7.652 1.00 0.00 O ATOM 630 CB ILE B 12 43.831 -0.732 8.552 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.993 -2.025 8.674 1.00 0.00 C ATOM 632 CG2 ILE B 12 43.987 -0.397 7.059 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.529 -2.232 10.115 1.00 0.00 C ATOM 0 H ILE B 12 44.300 -0.304 10.988 1.00 0.00 H new ATOM 0 HA ILE B 12 45.545 -1.949 9.016 1.00 0.00 H new ATOM 0 HB ILE B 12 43.327 0.084 9.070 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.128 -1.968 8.013 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.586 -2.881 8.351 1.00 0.00 H new ATOM 0 HG21 ILE B 12 43.002 -0.265 6.611 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.562 0.523 6.951 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.508 -1.212 6.556 1.00 0.00 H new ATOM 0 HD11 ILE B 12 41.941 -3.147 10.180 1.00 0.00 H new ATOM 0 HD12 ILE B 12 43.397 -2.312 10.769 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.917 -1.385 10.426 1.00 0.00 H new ATOM 645 N VAL B 13 46.390 1.262 9.041 1.00 0.00 N ATOM 646 CA VAL B 13 47.382 2.161 8.430 1.00 0.00 C ATOM 647 C VAL B 13 48.800 1.657 8.693 1.00 0.00 C ATOM 648 O VAL B 13 49.624 1.591 7.775 1.00 0.00 O ATOM 649 CB VAL B 13 47.220 3.627 8.893 1.00 0.00 C ATOM 650 CG1 VAL B 13 45.734 3.946 9.072 1.00 0.00 C ATOM 651 CG2 VAL B 13 47.974 3.889 10.208 1.00 0.00 C ATOM 0 H VAL B 13 45.842 1.662 9.802 1.00 0.00 H new ATOM 0 HA VAL B 13 47.201 2.152 7.355 1.00 0.00 H new ATOM 0 HB VAL B 13 47.648 4.275 8.128 1.00 0.00 H new ATOM 0 HG11 VAL B 13 45.621 4.980 9.398 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.215 3.806 8.124 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.307 3.280 9.821 1.00 0.00 H new ATOM 0 HG21 VAL B 13 47.838 4.929 10.504 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.583 3.236 10.988 1.00 0.00 H new ATOM 0 HG23 VAL B 13 49.036 3.688 10.065 1.00 0.00 H new ATOM 661 N VAL B 14 49.098 1.265 9.926 1.00 0.00 N ATOM 662 CA VAL B 14 50.432 0.750 10.181 1.00 0.00 C ATOM 663 C VAL B 14 50.623 -0.482 9.306 1.00 0.00 C ATOM 664 O VAL B 14 51.722 -0.761 8.813 1.00 0.00 O ATOM 665 CB VAL B 14 50.615 0.406 11.660 1.00 0.00 C ATOM 666 CG1 VAL B 14 49.473 -0.491 12.118 1.00 0.00 C ATOM 667 CG2 VAL B 14 51.946 -0.322 11.854 1.00 0.00 C ATOM 0 H VAL B 14 48.468 1.291 10.728 1.00 0.00 H new ATOM 0 HA VAL B 14 51.180 1.505 9.940 1.00 0.00 H new ATOM 0 HB VAL B 14 50.614 1.323 12.249 1.00 0.00 H new ATOM 0 HG11 VAL B 14 49.603 -0.736 13.172 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.525 0.029 11.981 1.00 0.00 H new ATOM 0 HG13 VAL B 14 49.472 -1.408 11.529 1.00 0.00 H new ATOM 0 HG21 VAL B 14 52.076 -0.567 12.908 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.948 -1.239 11.265 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.763 0.321 11.527 1.00 0.00 H new ATOM 677 N GLY B 15 49.519 -1.196 9.089 1.00 0.00 N ATOM 678 CA GLY B 15 49.539 -2.379 8.244 1.00 0.00 C ATOM 679 C GLY B 15 49.770 -1.996 6.785 1.00 0.00 C ATOM 680 O GLY B 15 50.325 -2.777 6.024 1.00 0.00 O ATOM 0 H GLY B 15 48.606 -0.974 9.486 1.00 0.00 H new ATOM 0 HA2 GLY B 15 50.326 -3.056 8.576 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.595 -2.916 8.339 1.00 0.00 H new ATOM 684 N ASP B 16 49.342 -0.790 6.402 1.00 0.00 N ATOM 685 CA ASP B 16 49.517 -0.317 5.029 1.00 0.00 C ATOM 686 C ASP B 16 51.000 -0.157 4.736 1.00 0.00 C ATOM 687 O ASP B 16 51.504 -0.653 3.724 1.00 0.00 O ATOM 688 CB ASP B 16 48.791 1.025 4.831 1.00 0.00 C ATOM 689 CG ASP B 16 49.089 1.612 3.455 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.254 1.698 3.105 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.144 1.987 2.778 1.00 0.00 O ATOM 0 H ASP B 16 48.874 -0.127 7.021 1.00 0.00 H new ATOM 0 HA ASP B 16 49.089 -1.046 4.341 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.716 0.881 4.943 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.101 1.728 5.605 1.00 0.00 H new ATOM 696 N LEU B 17 51.701 0.522 5.637 1.00 0.00 N ATOM 697 CA LEU B 17 53.135 0.715 5.458 1.00 0.00 C ATOM 698 C LEU B 17 53.824 -0.648 5.403 1.00 0.00 C ATOM 699 O LEU B 17 54.714 -0.878 4.581 1.00 0.00 O ATOM 700 CB LEU B 17 53.709 1.548 6.618 1.00 0.00 C ATOM 701 CG LEU B 17 53.483 3.042 6.357 1.00 0.00 C ATOM 702 CD1 LEU B 17 51.991 3.313 6.161 1.00 0.00 C ATOM 703 CD2 LEU B 17 53.992 3.849 7.554 1.00 0.00 C ATOM 0 H LEU B 17 51.310 0.940 6.481 1.00 0.00 H new ATOM 0 HA LEU B 17 53.312 1.251 4.526 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.232 1.258 7.554 1.00 0.00 H new ATOM 0 HB3 LEU B 17 54.775 1.347 6.727 1.00 0.00 H new ATOM 0 HG LEU B 17 54.024 3.337 5.458 1.00 0.00 H new ATOM 0 HD11 LEU B 17 51.835 4.376 5.976 1.00 0.00 H new ATOM 0 HD12 LEU B 17 51.626 2.739 5.309 1.00 0.00 H new ATOM 0 HD13 LEU B 17 51.447 3.018 7.058 1.00 0.00 H new ATOM 0 HD21 LEU B 17 53.832 4.912 7.371 1.00 0.00 H new ATOM 0 HD22 LEU B 17 53.450 3.550 8.451 1.00 0.00 H new ATOM 0 HD23 LEU B 17 55.057 3.661 7.694 1.00 0.00 H new ATOM 715 N VAL B 18 53.400 -1.548 6.285 1.00 0.00 N ATOM 716 CA VAL B 18 53.979 -2.886 6.334 1.00 0.00 C ATOM 717 C VAL B 18 53.639 -3.687 5.074 1.00 0.00 C ATOM 718 O VAL B 18 54.371 -4.598 4.699 1.00 0.00 O ATOM 719 CB VAL B 18 53.467 -3.627 7.571 1.00 0.00 C ATOM 720 CG1 VAL B 18 53.999 -5.064 7.569 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.952 -2.905 8.833 1.00 0.00 C ATOM 0 H VAL B 18 52.664 -1.377 6.970 1.00 0.00 H new ATOM 0 HA VAL B 18 55.063 -2.784 6.389 1.00 0.00 H new ATOM 0 HB VAL B 18 52.377 -3.646 7.556 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.633 -5.589 8.451 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.655 -5.578 6.672 1.00 0.00 H new ATOM 0 HG13 VAL B 18 55.089 -5.049 7.583 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.588 -3.431 9.716 1.00 0.00 H new ATOM 0 HG22 VAL B 18 55.042 -2.886 8.845 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.571 -1.884 8.837 1.00 0.00 H new ATOM 731 N LEU B 19 52.523 -3.354 4.431 1.00 0.00 N ATOM 732 CA LEU B 19 52.100 -4.063 3.223 1.00 0.00 C ATOM 733 C LEU B 19 53.028 -3.723 2.059 1.00 0.00 C ATOM 734 O LEU B 19 53.516 -4.613 1.355 1.00 0.00 O ATOM 735 CB LEU B 19 50.644 -3.673 2.892 1.00 0.00 C ATOM 736 CG LEU B 19 49.903 -4.834 2.212 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.419 -4.479 2.074 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.500 -5.089 0.827 1.00 0.00 C ATOM 0 H LEU B 19 51.898 -2.603 4.722 1.00 0.00 H new ATOM 0 HA LEU B 19 52.152 -5.138 3.392 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.123 -3.390 3.807 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.637 -2.800 2.239 1.00 0.00 H new ATOM 0 HG LEU B 19 50.008 -5.734 2.818 1.00 0.00 H new ATOM 0 HD11 LEU B 19 47.891 -5.302 1.592 1.00 0.00 H new ATOM 0 HD12 LEU B 19 47.993 -4.305 3.062 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.315 -3.578 1.470 1.00 0.00 H new ATOM 0 HD21 LEU B 19 49.971 -5.913 0.349 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.400 -4.191 0.217 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.555 -5.344 0.927 1.00 0.00 H new ATOM 750 N THR B 20 53.274 -2.432 1.869 1.00 0.00 N ATOM 751 CA THR B 20 54.150 -1.984 0.792 1.00 0.00 C ATOM 752 C THR B 20 55.563 -2.517 0.991 1.00 0.00 C ATOM 753 O THR B 20 56.194 -3.001 0.051 1.00 0.00 O ATOM 754 CB THR B 20 54.191 -0.457 0.746 1.00 0.00 C ATOM 755 OG1 THR B 20 52.869 0.053 0.811 1.00 0.00 O ATOM 756 CG2 THR B 20 54.851 -0.002 -0.555 1.00 0.00 C ATOM 0 H THR B 20 52.884 -1.683 2.441 1.00 0.00 H new ATOM 0 HA THR B 20 53.753 -2.367 -0.148 1.00 0.00 H new ATOM 0 HB THR B 20 54.767 -0.084 1.593 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.899 1.023 0.944 1.00 0.00 H new ATOM 0 HG21 THR B 20 54.880 1.087 -0.587 1.00 0.00 H new ATOM 0 HG22 THR B 20 55.867 -0.393 -0.604 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.278 -0.375 -1.404 1.00 0.00 H new ATOM 764 N VAL B 21 56.061 -2.410 2.219 1.00 0.00 N ATOM 765 CA VAL B 21 57.409 -2.870 2.526 1.00 0.00 C ATOM 766 C VAL B 21 57.506 -4.394 2.488 1.00 0.00 C ATOM 767 O VAL B 21 58.578 -4.943 2.240 1.00 0.00 O ATOM 768 CB VAL B 21 57.827 -2.369 3.911 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.232 -2.878 4.238 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.823 -0.838 3.926 1.00 0.00 C ATOM 0 H VAL B 21 55.556 -2.012 3.011 1.00 0.00 H new ATOM 0 HA VAL B 21 58.078 -2.467 1.766 1.00 0.00 H new ATOM 0 HB VAL B 21 57.124 -2.741 4.656 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.528 -2.520 5.224 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.235 -3.968 4.231 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.936 -2.509 3.492 1.00 0.00 H new ATOM 0 HG21 VAL B 21 58.121 -0.483 4.913 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.524 -0.465 3.179 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.821 -0.475 3.697 1.00 0.00 H new ATOM 780 N LEU B 22 56.396 -5.075 2.756 1.00 0.00 N ATOM 781 CA LEU B 22 56.397 -6.537 2.765 1.00 0.00 C ATOM 782 C LEU B 22 56.540 -7.111 1.359 1.00 0.00 C ATOM 783 O LEU B 22 57.408 -7.944 1.114 1.00 0.00 O ATOM 784 CB LEU B 22 55.106 -7.059 3.417 1.00 0.00 C ATOM 785 CG LEU B 22 55.006 -8.587 3.283 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.281 -9.246 3.827 1.00 0.00 C ATOM 787 CD2 LEU B 22 53.799 -9.079 4.084 1.00 0.00 C ATOM 0 H LEU B 22 55.495 -4.647 2.967 1.00 0.00 H new ATOM 0 HA LEU B 22 57.259 -6.865 3.347 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.087 -6.780 4.470 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.241 -6.591 2.947 1.00 0.00 H new ATOM 0 HG LEU B 22 54.890 -8.852 2.232 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.202 -10.329 3.728 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.143 -8.892 3.262 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.405 -8.986 4.878 1.00 0.00 H new ATOM 0 HD21 LEU B 22 53.720 -10.162 3.995 1.00 0.00 H new ATOM 0 HD22 LEU B 22 53.924 -8.810 5.133 1.00 0.00 H new ATOM 0 HD23 LEU B 22 52.892 -8.616 3.696 1.00 0.00 H new ATOM 799 N ILE B 23 55.682 -6.683 0.440 1.00 0.00 N ATOM 800 CA ILE B 23 55.749 -7.198 -0.925 1.00 0.00 C ATOM 801 C ILE B 23 56.988 -6.656 -1.633 1.00 0.00 C ATOM 802 O ILE B 23 57.641 -7.377 -2.386 1.00 0.00 O ATOM 803 CB ILE B 23 54.475 -6.833 -1.703 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.255 -7.326 -0.918 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.484 -7.508 -3.090 1.00 0.00 C ATOM 806 CD1 ILE B 23 51.988 -6.693 -1.489 1.00 0.00 C ATOM 0 H ILE B 23 54.947 -5.996 0.608 1.00 0.00 H new ATOM 0 HA ILE B 23 55.822 -8.285 -0.884 1.00 0.00 H new ATOM 0 HB ILE B 23 54.433 -5.752 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.188 -8.412 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.359 -7.068 0.136 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.576 -7.241 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.354 -7.170 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.529 -8.590 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.121 -7.045 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.055 -5.608 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE B 23 51.882 -6.974 -2.537 1.00 0.00 H new ATOM 818 N ALA B 24 57.312 -5.389 -1.391 1.00 0.00 N ATOM 819 CA ALA B 24 58.479 -4.787 -2.022 1.00 0.00 C ATOM 820 C ALA B 24 59.759 -5.451 -1.526 1.00 0.00 C ATOM 821 O ALA B 24 60.671 -5.719 -2.309 1.00 0.00 O ATOM 822 CB ALA B 24 58.526 -3.288 -1.720 1.00 0.00 C ATOM 0 H ALA B 24 56.791 -4.768 -0.772 1.00 0.00 H new ATOM 0 HA ALA B 24 58.401 -4.935 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.402 -2.848 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.625 -2.811 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.584 -3.136 -0.642 1.00 0.00 H new ATOM 828 N LEU B 25 59.822 -5.721 -0.226 1.00 0.00 N ATOM 829 CA LEU B 25 60.996 -6.362 0.351 1.00 0.00 C ATOM 830 C LEU B 25 61.042 -7.829 -0.058 1.00 0.00 C ATOM 831 O LEU B 25 62.116 -8.414 -0.204 1.00 0.00 O ATOM 832 CB LEU B 25 60.955 -6.249 1.881 1.00 0.00 C ATOM 833 CG LEU B 25 62.199 -6.902 2.506 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.477 -6.210 2.002 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.110 -6.770 4.031 1.00 0.00 C ATOM 0 H LEU B 25 59.081 -5.508 0.442 1.00 0.00 H new ATOM 0 HA LEU B 25 61.890 -5.861 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.903 -5.200 2.172 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.055 -6.730 2.263 1.00 0.00 H new ATOM 0 HG LEU B 25 62.239 -7.953 2.221 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.349 -6.683 2.453 1.00 0.00 H new ATOM 0 HD12 LEU B 25 63.536 -6.300 0.917 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.453 -5.156 2.278 1.00 0.00 H new ATOM 0 HD21 LEU B 25 62.987 -7.229 4.488 1.00 0.00 H new ATOM 0 HD22 LEU B 25 62.070 -5.715 4.303 1.00 0.00 H new ATOM 0 HD23 LEU B 25 61.210 -7.271 4.388 1.00 0.00 H new ATOM 847 N ALA B 26 59.863 -8.415 -0.231 1.00 0.00 N ATOM 848 CA ALA B 26 59.760 -9.817 -0.614 1.00 0.00 C ATOM 849 C ALA B 26 60.328 -10.046 -2.009 1.00 0.00 C ATOM 850 O ALA B 26 61.173 -10.920 -2.201 1.00 0.00 O ATOM 851 CB ALA B 26 58.296 -10.260 -0.583 1.00 0.00 C ATOM 0 H ALA B 26 58.967 -7.942 -0.112 1.00 0.00 H new ATOM 0 HA ALA B 26 60.338 -10.405 0.098 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.227 -11.309 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA B 26 57.899 -10.133 0.424 1.00 0.00 H new ATOM 0 HB3 ALA B 26 57.718 -9.654 -1.280 1.00 0.00 H new ATOM 857 N VAL B 27 59.865 -9.268 -2.984 1.00 0.00 N ATOM 858 CA VAL B 27 60.351 -9.427 -4.349 1.00 0.00 C ATOM 859 C VAL B 27 61.791 -8.945 -4.475 1.00 0.00 C ATOM 860 O VAL B 27 62.593 -9.534 -5.200 1.00 0.00 O ATOM 861 CB VAL B 27 59.454 -8.644 -5.298 1.00 0.00 C ATOM 862 CG1 VAL B 27 58.023 -9.163 -5.160 1.00 0.00 C ATOM 863 CG2 VAL B 27 59.503 -7.157 -4.931 1.00 0.00 C ATOM 0 H VAL B 27 59.167 -8.535 -2.858 1.00 0.00 H new ATOM 0 HA VAL B 27 60.326 -10.485 -4.609 1.00 0.00 H new ATOM 0 HB VAL B 27 59.794 -8.770 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL B 27 57.369 -8.611 -5.835 1.00 0.00 H new ATOM 0 HG12 VAL B 27 57.994 -10.223 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL B 27 57.684 -9.026 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL B 27 58.862 -6.594 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.155 -7.023 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL B 27 60.528 -6.795 -5.016 1.00 0.00 H new ATOM 873 N TYR B 28 62.115 -7.870 -3.767 1.00 0.00 N ATOM 874 CA TYR B 28 63.462 -7.317 -3.810 1.00 0.00 C ATOM 875 C TYR B 28 64.479 -8.338 -3.304 1.00 0.00 C ATOM 876 O TYR B 28 65.498 -8.585 -3.948 1.00 0.00 O ATOM 877 CB TYR B 28 63.528 -6.054 -2.950 1.00 0.00 C ATOM 878 CG TYR B 28 64.934 -5.508 -2.958 1.00 0.00 C ATOM 879 CD1 TYR B 28 65.349 -4.656 -3.988 1.00 0.00 C ATOM 880 CD2 TYR B 28 65.822 -5.850 -1.931 1.00 0.00 C ATOM 881 CE1 TYR B 28 66.652 -4.147 -3.993 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.125 -5.340 -1.936 1.00 0.00 C ATOM 883 CZ TYR B 28 67.541 -4.488 -2.967 1.00 0.00 C ATOM 884 OH TYR B 28 68.824 -3.984 -2.970 1.00 0.00 O ATOM 0 H TYR B 28 61.468 -7.367 -3.160 1.00 0.00 H new ATOM 0 HA TYR B 28 63.703 -7.068 -4.843 1.00 0.00 H new ATOM 0 HB2 TYR B 28 62.834 -5.305 -3.332 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.221 -6.281 -1.929 1.00 0.00 H new ATOM 0 HD1 TYR B 28 64.663 -4.391 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR B 28 65.502 -6.507 -1.136 1.00 0.00 H new ATOM 0 HE1 TYR B 28 66.972 -3.491 -4.789 1.00 0.00 H new ATOM 0 HE2 TYR B 28 67.811 -5.604 -1.144 1.00 0.00 H new ATOM 0 HH TYR B 28 69.309 -4.319 -2.187 1.00 0.00 H new ATOM 894 N PHE B 29 64.194 -8.926 -2.147 1.00 0.00 N ATOM 895 CA PHE B 29 65.091 -9.918 -1.562 1.00 0.00 C ATOM 896 C PHE B 29 65.190 -11.151 -2.454 1.00 0.00 C ATOM 897 O PHE B 29 66.285 -11.628 -2.752 1.00 0.00 O ATOM 898 CB PHE B 29 64.583 -10.327 -0.178 1.00 0.00 C ATOM 899 CG PHE B 29 65.576 -11.267 0.465 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.832 -10.791 0.859 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.243 -12.614 0.667 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.755 -11.659 1.454 1.00 0.00 C ATOM 903 CE2 PHE B 29 66.167 -13.482 1.262 1.00 0.00 C ATOM 904 CZ PHE B 29 67.422 -13.005 1.655 1.00 0.00 C ATOM 0 H PHE B 29 63.355 -8.735 -1.599 1.00 0.00 H new ATOM 0 HA PHE B 29 66.082 -9.473 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.445 -9.444 0.446 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.610 -10.812 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE B 29 67.089 -9.754 0.704 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.274 -12.982 0.364 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.724 -11.291 1.758 1.00 0.00 H new ATOM 0 HE2 PHE B 29 65.911 -14.520 1.417 1.00 0.00 H new ATOM 0 HZ PHE B 29 68.135 -13.675 2.114 1.00 0.00 H new ATOM 914 N LEU B 30 64.039 -11.665 -2.877 1.00 0.00 N ATOM 915 CA LEU B 30 64.010 -12.846 -3.732 1.00 0.00 C ATOM 916 C LEU B 30 64.492 -12.497 -5.137 1.00 0.00 C ATOM 917 O LEU B 30 64.993 -13.358 -5.863 1.00 0.00 O ATOM 918 CB LEU B 30 62.585 -13.405 -3.801 1.00 0.00 C ATOM 919 CG LEU B 30 62.120 -13.832 -2.400 1.00 0.00 C ATOM 920 CD1 LEU B 30 60.602 -14.029 -2.411 1.00 0.00 C ATOM 921 CD2 LEU B 30 62.799 -15.148 -1.983 1.00 0.00 C ATOM 0 H LEU B 30 63.121 -11.286 -2.644 1.00 0.00 H new ATOM 0 HA LEU B 30 64.674 -13.599 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU B 30 61.909 -12.651 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU B 30 62.552 -14.257 -4.480 1.00 0.00 H new ATOM 0 HG LEU B 30 62.393 -13.054 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU B 30 60.267 -14.332 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU B 30 60.116 -13.094 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU B 30 60.341 -14.802 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU B 30 62.457 -15.434 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU B 30 62.541 -15.932 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU B 30 63.880 -15.011 -1.970 1.00 0.00 H new ATOM 933 N GLY B 31 64.340 -11.232 -5.514 1.00 0.00 N ATOM 934 CA GLY B 31 64.767 -10.784 -6.834 1.00 0.00 C ATOM 935 C GLY B 31 66.268 -10.972 -7.012 1.00 0.00 C ATOM 936 O GLY B 31 66.859 -11.893 -6.447 1.00 0.00 O ATOM 0 H GLY B 31 63.928 -10.504 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY B 31 64.233 -11.343 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY B 31 64.510 -9.733 -6.967 1.00 0.00 H new ATOM 940 N ARG B 32 66.882 -10.097 -7.800 1.00 0.00 N ATOM 941 CA ARG B 32 68.317 -10.179 -8.043 1.00 0.00 C ATOM 942 C ARG B 32 68.836 -8.871 -8.633 1.00 0.00 C ATOM 943 O ARG B 32 69.066 -8.771 -9.838 1.00 0.00 O ATOM 944 CB ARG B 32 68.616 -11.332 -9.002 1.00 0.00 C ATOM 945 CG ARG B 32 70.130 -11.491 -9.159 1.00 0.00 C ATOM 946 CD ARG B 32 70.428 -12.749 -9.975 1.00 0.00 C ATOM 947 NE ARG B 32 71.867 -12.899 -10.165 1.00 0.00 N ATOM 948 CZ ARG B 32 72.632 -13.461 -9.233 1.00 0.00 C ATOM 949 NH1 ARG B 32 72.098 -13.885 -8.119 1.00 0.00 N ATOM 950 NH2 ARG B 32 73.915 -13.588 -9.430 1.00 0.00 N ATOM 0 H ARG B 32 66.413 -9.328 -8.278 1.00 0.00 H new ATOM 0 HA ARG B 32 68.820 -10.358 -7.093 1.00 0.00 H new ATOM 0 HB2 ARG B 32 68.181 -12.256 -8.622 1.00 0.00 H new ATOM 0 HB3 ARG B 32 68.158 -11.139 -9.972 1.00 0.00 H new ATOM 0 HG2 ARG B 32 70.549 -10.615 -9.655 1.00 0.00 H new ATOM 0 HG3 ARG B 32 70.603 -11.559 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG B 32 70.028 -13.625 -9.465 1.00 0.00 H new ATOM 0 HD3 ARG B 32 69.931 -12.689 -10.943 1.00 0.00 H new ATOM 0 HE ARG B 32 72.295 -12.566 -11.029 1.00 0.00 H new ATOM 0 HH11 ARG B 32 71.095 -13.785 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG B 32 72.684 -14.316 -7.404 1.00 0.00 H new ATOM 0 HH21 ARG B 32 74.333 -13.256 -10.299 1.00 0.00 H new ATOM 0 HH22 ARG B 32 74.501 -14.019 -8.715 1.00 0.00 H new ATOM 964 N LEU B 33 69.015 -7.872 -7.775 1.00 0.00 N ATOM 965 CA LEU B 33 69.505 -6.573 -8.221 1.00 0.00 C ATOM 966 C LEU B 33 68.741 -6.116 -9.463 1.00 0.00 C ATOM 967 CB LEU B 33 71.005 -6.656 -8.540 1.00 0.00 C ATOM 968 CG LEU B 33 71.832 -6.676 -7.242 1.00 0.00 C ATOM 969 CD1 LEU B 33 71.783 -5.305 -6.537 1.00 0.00 C ATOM 970 CD2 LEU B 33 71.289 -7.761 -6.305 1.00 0.00 C ATOM 0 H LEU B 33 68.830 -7.936 -6.774 1.00 0.00 H new ATOM 0 HA LEU B 33 69.347 -5.850 -7.421 1.00 0.00 H new ATOM 0 HB2 LEU B 33 71.210 -7.554 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU B 33 71.300 -5.804 -9.153 1.00 0.00 H new ATOM 0 HG LEU B 33 72.870 -6.894 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU B 33 72.375 -5.345 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU B 33 72.189 -4.541 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU B 33 70.750 -5.059 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU B 33 71.875 -7.775 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU B 33 70.247 -7.548 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU B 33 71.359 -8.733 -6.794 1.00 0.00 H new TER 982 LEU B 33