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+ -155:sc= 0.338 (180deg=0.119) USER MOD Single : A 2 SER OG : rot 180:sc= -0.384 USER MOD Single : A 3 THR OG1 : rot -48:sc= -1.27! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.21 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 -50:sc= 0.778 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -73:sc= 1.11 USER MOD Single : B 20 THR OG1 : rot 180:sc= -3.21! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 34.623 17.645 21.069 1.00 0.00 N ATOM 2 CA CYS A 1 35.230 16.409 20.498 1.00 0.00 C ATOM 3 C CYS A 1 34.230 15.742 19.559 1.00 0.00 C ATOM 4 O CYS A 1 33.231 15.174 20.001 1.00 0.00 O ATOM 5 CB CYS A 1 35.598 15.455 21.634 1.00 0.00 C ATOM 6 SG CYS A 1 34.104 15.010 22.556 1.00 0.00 S ATOM 0 H1 CYS A 1 35.377 18.306 21.345 1.00 0.00 H new ATOM 0 H2 CYS A 1 34.013 18.094 20.356 1.00 0.00 H new ATOM 0 H3 CYS A 1 34.055 17.399 21.905 1.00 0.00 H new ATOM 0 HA CYS A 1 36.130 16.663 19.939 1.00 0.00 H new ATOM 0 HB2 CYS A 1 36.071 14.559 21.232 1.00 0.00 H new ATOM 0 HB3 CYS A 1 36.322 15.926 22.299 1.00 0.00 H new ATOM 10 N SER A 2 34.505 15.814 18.261 1.00 0.00 N ATOM 11 CA SER A 2 33.622 15.212 17.269 1.00 0.00 C ATOM 12 C SER A 2 34.351 15.043 15.940 1.00 0.00 C ATOM 13 O SER A 2 35.381 15.675 15.706 1.00 0.00 O ATOM 14 CB SER A 2 32.386 16.088 17.067 1.00 0.00 C ATOM 15 OG SER A 2 31.582 15.535 16.033 1.00 0.00 O ATOM 0 H SER A 2 35.326 16.279 17.874 1.00 0.00 H new ATOM 0 HA SER A 2 33.314 14.231 17.631 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.815 16.150 17.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.684 17.104 16.807 1.00 0.00 H new ATOM 0 HG SER A 2 30.788 16.094 15.902 1.00 0.00 H new ATOM 21 N THR A 3 33.808 14.189 15.077 1.00 0.00 N ATOM 22 CA THR A 3 34.412 13.941 13.770 1.00 0.00 C ATOM 23 C THR A 3 35.885 13.571 13.915 1.00 0.00 C ATOM 24 O THR A 3 36.242 12.393 13.900 1.00 0.00 O ATOM 25 CB THR A 3 34.277 15.181 12.883 1.00 0.00 C ATOM 26 OG1 THR A 3 35.022 16.252 13.446 1.00 0.00 O ATOM 27 CG2 THR A 3 32.803 15.582 12.780 1.00 0.00 C ATOM 0 H THR A 3 32.955 13.659 15.257 1.00 0.00 H new ATOM 0 HA THR A 3 33.887 13.106 13.306 1.00 0.00 H new ATOM 0 HB THR A 3 34.661 14.956 11.888 1.00 0.00 H new ATOM 0 HG1 THR A 3 34.818 16.325 14.402 1.00 0.00 H new ATOM 0 HG21 THR A 3 32.709 16.465 12.148 1.00 0.00 H new ATOM 0 HG22 THR A 3 32.232 14.762 12.344 1.00 0.00 H new ATOM 0 HG23 THR A 3 32.416 15.805 13.774 1.00 0.00 H new ATOM 35 N VAL A 4 36.738 14.581 14.054 1.00 0.00 N ATOM 36 CA VAL A 4 38.170 14.345 14.197 1.00 0.00 C ATOM 37 C VAL A 4 38.718 13.645 12.956 1.00 0.00 C ATOM 38 O VAL A 4 39.534 12.730 13.053 1.00 0.00 O ATOM 39 CB VAL A 4 38.439 13.491 15.444 1.00 0.00 C ATOM 40 CG1 VAL A 4 39.906 13.635 15.868 1.00 0.00 C ATOM 41 CG2 VAL A 4 37.535 13.959 16.591 1.00 0.00 C ATOM 0 H VAL A 4 36.465 15.564 14.071 1.00 0.00 H new ATOM 0 HA VAL A 4 38.674 15.305 14.308 1.00 0.00 H new ATOM 0 HB VAL A 4 38.229 12.447 15.212 1.00 0.00 H new ATOM 0 HG11 VAL A 4 40.090 13.027 16.753 1.00 0.00 H new ATOM 0 HG12 VAL A 4 40.554 13.301 15.057 1.00 0.00 H new ATOM 0 HG13 VAL A 4 40.118 14.680 16.095 1.00 0.00 H new ATOM 0 HG21 VAL A 4 37.727 13.352 17.476 1.00 0.00 H new ATOM 0 HG22 VAL A 4 37.744 15.005 16.816 1.00 0.00 H new ATOM 0 HG23 VAL A 4 36.491 13.853 16.298 1.00 0.00 H new ATOM 51 N SER A 5 38.260 14.086 11.786 1.00 0.00 N ATOM 52 CA SER A 5 38.706 13.501 10.521 1.00 0.00 C ATOM 53 C SER A 5 38.841 11.984 10.637 1.00 0.00 C ATOM 54 O SER A 5 39.947 11.448 10.617 1.00 0.00 O ATOM 55 CB SER A 5 40.051 14.106 10.116 1.00 0.00 C ATOM 56 OG SER A 5 39.857 15.456 9.716 1.00 0.00 O ATOM 0 H SER A 5 37.583 14.843 11.686 1.00 0.00 H new ATOM 0 HA SER A 5 37.959 13.724 9.760 1.00 0.00 H new ATOM 0 HB2 SER A 5 40.750 14.059 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 5 40.490 13.532 9.300 1.00 0.00 H new ATOM 0 HG SER A 5 40.717 15.847 9.457 1.00 0.00 H new ATOM 62 N PRO A 6 37.740 11.293 10.759 1.00 0.00 N ATOM 63 CA PRO A 6 37.727 9.812 10.885 1.00 0.00 C ATOM 64 C PRO A 6 37.702 9.122 9.521 1.00 0.00 C ATOM 65 O PRO A 6 38.142 7.981 9.380 1.00 0.00 O ATOM 66 CB PRO A 6 36.433 9.560 11.658 1.00 0.00 C ATOM 67 CG PRO A 6 35.499 10.646 11.204 1.00 0.00 C ATOM 68 CD PRO A 6 36.377 11.846 10.795 1.00 0.00 C ATOM 0 HA PRO A 6 38.616 9.416 11.375 1.00 0.00 H new ATOM 0 HB2 PRO A 6 36.027 8.572 11.440 1.00 0.00 H new ATOM 0 HB3 PRO A 6 36.600 9.605 12.734 1.00 0.00 H new ATOM 0 HG2 PRO A 6 34.891 10.308 10.365 1.00 0.00 H new ATOM 0 HG3 PRO A 6 34.812 10.924 12.003 1.00 0.00 H new ATOM 0 HD2 PRO A 6 36.082 12.244 9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 6 36.296 12.663 11.512 1.00 0.00 H new ATOM 76 N GLY A 7 37.175 9.826 8.525 1.00 0.00 N ATOM 77 CA GLY A 7 37.083 9.282 7.176 1.00 0.00 C ATOM 78 C GLY A 7 38.463 9.084 6.560 1.00 0.00 C ATOM 79 O GLY A 7 38.661 8.191 5.737 1.00 0.00 O ATOM 0 H GLY A 7 36.806 10.772 8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 36.554 8.329 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.497 9.955 6.550 1.00 0.00 H new ATOM 83 N VAL A 8 39.415 9.922 6.957 1.00 0.00 N ATOM 84 CA VAL A 8 40.768 9.819 6.424 1.00 0.00 C ATOM 85 C VAL A 8 41.306 8.401 6.622 1.00 0.00 C ATOM 86 O VAL A 8 41.837 7.795 5.691 1.00 0.00 O ATOM 87 CB VAL A 8 41.681 10.840 7.116 1.00 0.00 C ATOM 88 CG1 VAL A 8 41.876 10.459 8.587 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.039 10.873 6.408 1.00 0.00 C ATOM 0 H VAL A 8 39.278 10.670 7.637 1.00 0.00 H new ATOM 0 HA VAL A 8 40.747 10.035 5.356 1.00 0.00 H new ATOM 0 HB VAL A 8 41.218 11.826 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 8 42.525 11.190 9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 8 40.909 10.445 9.090 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.332 9.471 8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 8 43.688 11.598 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 8 43.498 9.885 6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 8 42.899 11.159 5.366 1.00 0.00 H new ATOM 99 N LEU A 9 41.136 7.865 7.829 1.00 0.00 N ATOM 100 CA LEU A 9 41.586 6.507 8.124 1.00 0.00 C ATOM 101 C LEU A 9 41.002 5.538 7.084 1.00 0.00 C ATOM 102 O LEU A 9 41.728 4.746 6.469 1.00 0.00 O ATOM 103 CB LEU A 9 41.109 6.117 9.542 1.00 0.00 C ATOM 104 CG LEU A 9 42.239 6.268 10.588 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.408 5.294 10.291 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.744 7.720 10.594 1.00 0.00 C ATOM 0 H LEU A 9 40.694 8.346 8.612 1.00 0.00 H new ATOM 0 HA LEU A 9 42.674 6.456 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.264 6.743 9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.754 5.086 9.536 1.00 0.00 H new ATOM 0 HG LEU A 9 41.838 6.019 11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.188 5.422 11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 9 43.042 4.268 10.319 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.817 5.507 9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.540 7.825 11.331 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.128 7.976 9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 9 41.923 8.390 10.849 1.00 0.00 H new ATOM 118 N ALA A 10 39.688 5.620 6.882 1.00 0.00 N ATOM 119 CA ALA A 10 39.021 4.766 5.909 1.00 0.00 C ATOM 120 C ALA A 10 39.718 4.907 4.563 1.00 0.00 C ATOM 121 O ALA A 10 39.870 3.949 3.803 1.00 0.00 O ATOM 122 CB ALA A 10 37.554 5.176 5.771 1.00 0.00 C ATOM 0 H ALA A 10 39.071 6.265 7.376 1.00 0.00 H new ATOM 0 HA ALA A 10 39.068 3.730 6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.063 4.532 5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.056 5.077 6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.496 6.212 5.438 1.00 0.00 H new ATOM 128 N GLY A 11 40.161 6.117 4.291 1.00 0.00 N ATOM 129 CA GLY A 11 40.862 6.393 3.049 1.00 0.00 C ATOM 130 C GLY A 11 42.161 5.604 2.999 1.00 0.00 C ATOM 131 O GLY A 11 42.581 5.135 1.938 1.00 0.00 O ATOM 0 H GLY A 11 40.050 6.922 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.233 6.127 2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.071 7.460 2.969 1.00 0.00 H new ATOM 135 N ILE A 12 42.796 5.452 4.156 1.00 0.00 N ATOM 136 CA ILE A 12 44.045 4.712 4.218 1.00 0.00 C ATOM 137 C ILE A 12 43.820 3.237 3.891 1.00 0.00 C ATOM 138 O ILE A 12 44.604 2.650 3.148 1.00 0.00 O ATOM 139 CB ILE A 12 44.690 4.848 5.602 1.00 0.00 C ATOM 140 CG1 ILE A 12 44.862 6.336 5.965 1.00 0.00 C ATOM 141 CG2 ILE A 12 46.057 4.152 5.605 1.00 0.00 C ATOM 142 CD1 ILE A 12 45.626 7.084 4.862 1.00 0.00 C ATOM 0 H ILE A 12 42.471 5.825 5.048 1.00 0.00 H new ATOM 0 HA ILE A 12 44.720 5.135 3.474 1.00 0.00 H new ATOM 0 HB ILE A 12 44.043 4.377 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 12 43.884 6.794 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.399 6.424 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.513 4.250 6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.928 3.096 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.703 4.615 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 12 45.735 8.132 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 12 46.612 6.638 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.074 7.014 3.925 1.00 0.00 H new ATOM 154 N VAL A 13 42.757 2.629 4.427 1.00 0.00 N ATOM 155 CA VAL A 13 42.514 1.217 4.121 1.00 0.00 C ATOM 156 C VAL A 13 42.355 1.064 2.615 1.00 0.00 C ATOM 157 O VAL A 13 42.910 0.145 2.008 1.00 0.00 O ATOM 158 CB VAL A 13 41.289 0.640 4.885 1.00 0.00 C ATOM 159 CG1 VAL A 13 41.108 1.375 6.212 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.995 0.753 4.062 1.00 0.00 C ATOM 0 H VAL A 13 42.078 3.069 5.048 1.00 0.00 H new ATOM 0 HA VAL A 13 43.371 0.636 4.462 1.00 0.00 H new ATOM 0 HB VAL A 13 41.485 -0.417 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 13 40.248 0.965 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 13 42.003 1.250 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.944 2.436 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.164 0.338 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.796 1.801 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.107 0.199 3.130 1.00 0.00 H new ATOM 170 N VAL A 14 41.632 1.992 1.997 1.00 0.00 N ATOM 171 CA VAL A 14 41.476 1.933 0.553 1.00 0.00 C ATOM 172 C VAL A 14 42.868 1.895 -0.071 1.00 0.00 C ATOM 173 O VAL A 14 43.130 1.138 -1.009 1.00 0.00 O ATOM 174 CB VAL A 14 40.706 3.151 0.043 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.626 3.099 -1.485 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.293 3.140 0.630 1.00 0.00 C ATOM 0 H VAL A 14 41.159 2.770 2.458 1.00 0.00 H new ATOM 0 HA VAL A 14 40.911 1.043 0.278 1.00 0.00 H new ATOM 0 HB VAL A 14 41.219 4.063 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.077 3.967 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.633 3.104 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.111 2.189 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.742 4.008 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.779 2.229 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.351 3.175 1.718 1.00 0.00 H new ATOM 186 N GLY A 15 43.764 2.708 0.487 1.00 0.00 N ATOM 187 CA GLY A 15 45.140 2.764 0.010 1.00 0.00 C ATOM 188 C GLY A 15 45.845 1.421 0.209 1.00 0.00 C ATOM 189 O GLY A 15 46.694 1.036 -0.593 1.00 0.00 O ATOM 0 H GLY A 15 43.560 3.334 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.152 3.032 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.682 3.545 0.543 1.00 0.00 H new ATOM 193 N ASP A 16 45.491 0.708 1.279 1.00 0.00 N ATOM 194 CA ASP A 16 46.107 -0.589 1.549 1.00 0.00 C ATOM 195 C ASP A 16 45.815 -1.546 0.402 1.00 0.00 C ATOM 196 O ASP A 16 46.717 -2.205 -0.119 1.00 0.00 O ATOM 197 CB ASP A 16 45.576 -1.175 2.861 1.00 0.00 C ATOM 198 CG ASP A 16 46.265 -2.502 3.152 1.00 0.00 C ATOM 199 OD1 ASP A 16 46.243 -3.359 2.282 1.00 0.00 O ATOM 200 OD2 ASP A 16 46.800 -2.645 4.237 1.00 0.00 O ATOM 0 H ASP A 16 44.793 1.001 1.962 1.00 0.00 H new ATOM 0 HA ASP A 16 47.184 -0.450 1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.752 -0.477 3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.498 -1.322 2.794 1.00 0.00 H new ATOM 205 N LEU A 17 44.550 -1.601 -0.005 1.00 0.00 N ATOM 206 CA LEU A 17 44.165 -2.470 -1.111 1.00 0.00 C ATOM 207 C LEU A 17 44.916 -2.045 -2.372 1.00 0.00 C ATOM 208 O LEU A 17 45.364 -2.885 -3.156 1.00 0.00 O ATOM 209 CB LEU A 17 42.647 -2.391 -1.348 1.00 0.00 C ATOM 210 CG LEU A 17 41.916 -3.339 -0.389 1.00 0.00 C ATOM 211 CD1 LEU A 17 42.248 -2.963 1.055 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.406 -3.222 -0.611 1.00 0.00 C ATOM 0 H LEU A 17 43.786 -1.064 0.406 1.00 0.00 H new ATOM 0 HA LEU A 17 44.422 -3.500 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.300 -1.369 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.417 -2.656 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 17 42.235 -4.364 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.728 -3.637 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.323 -3.045 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.930 -1.938 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.885 -3.895 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.089 -2.197 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.168 -3.491 -1.640 1.00 0.00 H new ATOM 224 N VAL A 18 45.052 -0.734 -2.556 1.00 0.00 N ATOM 225 CA VAL A 18 45.753 -0.207 -3.720 1.00 0.00 C ATOM 226 C VAL A 18 47.202 -0.693 -3.742 1.00 0.00 C ATOM 227 O VAL A 18 47.731 -1.026 -4.796 1.00 0.00 O ATOM 228 CB VAL A 18 45.715 1.326 -3.710 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.599 1.876 -4.833 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.275 1.800 -3.925 1.00 0.00 C ATOM 0 H VAL A 18 44.689 -0.024 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 18 45.251 -0.570 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 18 46.084 1.687 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.568 2.965 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.626 1.541 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.234 1.514 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.246 2.890 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.911 1.433 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.642 1.415 -3.125 1.00 0.00 H new ATOM 240 N LEU A 19 47.843 -0.724 -2.577 1.00 0.00 N ATOM 241 CA LEU A 19 49.234 -1.172 -2.492 1.00 0.00 C ATOM 242 C LEU A 19 49.352 -2.645 -2.882 1.00 0.00 C ATOM 243 O LEU A 19 50.258 -3.030 -3.617 1.00 0.00 O ATOM 244 CB LEU A 19 49.754 -0.987 -1.060 1.00 0.00 C ATOM 245 CG LEU A 19 50.089 0.493 -0.796 1.00 0.00 C ATOM 246 CD1 LEU A 19 50.093 0.748 0.717 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.473 0.846 -1.372 1.00 0.00 C ATOM 0 H LEU A 19 47.429 -0.448 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 19 49.829 -0.574 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 19 49.004 -1.329 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.642 -1.600 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 19 49.337 1.115 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.330 1.795 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.110 0.517 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.842 0.114 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.692 1.896 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.233 0.223 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.475 0.670 -2.448 1.00 0.00 H new ATOM 259 N THR A 20 48.444 -3.466 -2.370 1.00 0.00 N ATOM 260 CA THR A 20 48.479 -4.895 -2.662 1.00 0.00 C ATOM 261 C THR A 20 48.397 -5.159 -4.162 1.00 0.00 C ATOM 262 O THR A 20 49.211 -5.897 -4.718 1.00 0.00 O ATOM 263 CB THR A 20 47.310 -5.595 -1.964 1.00 0.00 C ATOM 264 OG1 THR A 20 47.220 -5.136 -0.622 1.00 0.00 O ATOM 265 CG2 THR A 20 47.537 -7.108 -1.974 1.00 0.00 C ATOM 0 H THR A 20 47.683 -3.173 -1.758 1.00 0.00 H new ATOM 0 HA THR A 20 49.426 -5.288 -2.293 1.00 0.00 H new ATOM 0 HB THR A 20 46.383 -5.367 -2.490 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.471 -5.581 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.704 -7.604 -1.477 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.606 -7.459 -3.004 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.463 -7.340 -1.449 1.00 0.00 H new ATOM 273 N VAL A 21 47.403 -4.564 -4.810 1.00 0.00 N ATOM 274 CA VAL A 21 47.215 -4.758 -6.244 1.00 0.00 C ATOM 275 C VAL A 21 48.294 -4.048 -7.060 1.00 0.00 C ATOM 276 O VAL A 21 48.665 -4.508 -8.140 1.00 0.00 O ATOM 277 CB VAL A 21 45.840 -4.230 -6.656 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.625 -4.465 -8.152 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.754 -4.958 -5.863 1.00 0.00 C ATOM 0 H VAL A 21 46.719 -3.948 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 21 47.287 -5.826 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 21 45.787 -3.161 -6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.644 -4.088 -8.442 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.397 -3.942 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.680 -5.533 -8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.774 -4.581 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.808 -6.027 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.904 -4.785 -4.797 1.00 0.00 H new ATOM 289 N LEU A 22 48.770 -2.917 -6.559 1.00 0.00 N ATOM 290 CA LEU A 22 49.780 -2.142 -7.273 1.00 0.00 C ATOM 291 C LEU A 22 51.108 -2.886 -7.353 1.00 0.00 C ATOM 292 O LEU A 22 51.653 -3.068 -8.442 1.00 0.00 O ATOM 293 CB LEU A 22 49.979 -0.788 -6.577 1.00 0.00 C ATOM 294 CG LEU A 22 51.053 0.043 -7.297 1.00 0.00 C ATOM 295 CD1 LEU A 22 50.664 0.260 -8.769 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.182 1.400 -6.596 1.00 0.00 C ATOM 0 H LEU A 22 48.477 -2.516 -5.668 1.00 0.00 H new ATOM 0 HA LEU A 22 49.426 -1.985 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.037 -0.239 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.271 -0.947 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 22 52.004 -0.489 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 22 51.434 0.850 -9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 22 50.569 -0.705 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 22 49.712 0.789 -8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.942 1.998 -7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.226 1.921 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.471 1.246 -5.556 1.00 0.00 H new ATOM 308 N ILE A 23 51.636 -3.317 -6.210 1.00 0.00 N ATOM 309 CA ILE A 23 52.900 -4.029 -6.220 1.00 0.00 C ATOM 310 C ILE A 23 52.710 -5.390 -6.873 1.00 0.00 C ATOM 311 O ILE A 23 53.539 -5.825 -7.652 1.00 0.00 O ATOM 312 CB ILE A 23 53.462 -4.218 -4.803 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.377 -2.903 -3.993 1.00 0.00 C ATOM 314 CG2 ILE A 23 54.926 -4.700 -4.899 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.506 -1.933 -4.359 1.00 0.00 C ATOM 0 H ILE A 23 51.217 -3.188 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 23 53.614 -3.432 -6.787 1.00 0.00 H new ATOM 0 HB ILE A 23 52.865 -4.966 -4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.414 -2.425 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.423 -3.129 -2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.331 -4.836 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 23 54.963 -5.647 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.519 -3.957 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.409 -1.022 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.469 -2.400 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.444 -1.686 -5.419 1.00 0.00 H new ATOM 327 N ALA A 24 51.612 -6.064 -6.549 1.00 0.00 N ATOM 328 CA ALA A 24 51.356 -7.381 -7.123 1.00 0.00 C ATOM 329 C ALA A 24 51.314 -7.320 -8.647 1.00 0.00 C ATOM 330 O ALA A 24 51.853 -8.196 -9.322 1.00 0.00 O ATOM 331 CB ALA A 24 50.033 -7.936 -6.595 1.00 0.00 C ATOM 0 H ALA A 24 50.896 -5.729 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 24 52.172 -8.040 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.852 -8.919 -7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 24 50.082 -8.023 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.221 -7.263 -6.869 1.00 0.00 H new ATOM 337 N LEU A 25 50.674 -6.289 -9.187 1.00 0.00 N ATOM 338 CA LEU A 25 50.578 -6.147 -10.634 1.00 0.00 C ATOM 339 C LEU A 25 51.946 -5.824 -11.232 1.00 0.00 C ATOM 340 O LEU A 25 52.288 -6.298 -12.316 1.00 0.00 O ATOM 341 CB LEU A 25 49.579 -5.036 -10.985 1.00 0.00 C ATOM 342 CG LEU A 25 49.555 -4.787 -12.502 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.274 -6.099 -13.251 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.454 -3.772 -12.822 1.00 0.00 C ATOM 0 H LEU A 25 50.220 -5.548 -8.653 1.00 0.00 H new ATOM 0 HA LEU A 25 50.228 -7.090 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.583 -5.314 -10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.851 -4.118 -10.465 1.00 0.00 H new ATOM 0 HG LEU A 25 50.524 -4.401 -12.819 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.260 -5.909 -14.324 1.00 0.00 H new ATOM 0 HD12 LEU A 25 50.055 -6.824 -13.021 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.308 -6.496 -12.940 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.429 -3.589 -13.896 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.491 -4.166 -12.499 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.658 -2.837 -12.299 1.00 0.00 H new ATOM 356 N ALA A 26 52.714 -5.002 -10.526 1.00 0.00 N ATOM 357 CA ALA A 26 54.035 -4.603 -11.004 1.00 0.00 C ATOM 358 C ALA A 26 55.017 -5.775 -11.014 1.00 0.00 C ATOM 359 O ALA A 26 55.682 -6.019 -12.021 1.00 0.00 O ATOM 360 CB ALA A 26 54.588 -3.485 -10.121 1.00 0.00 C ATOM 0 H ALA A 26 52.448 -4.601 -9.627 1.00 0.00 H new ATOM 0 HA ALA A 26 53.921 -4.251 -12.029 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.574 -3.191 -10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.917 -2.627 -10.158 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.668 -3.839 -9.093 1.00 0.00 H new ATOM 366 N VAL A 27 55.126 -6.488 -9.895 1.00 0.00 N ATOM 367 CA VAL A 27 56.055 -7.608 -9.814 1.00 0.00 C ATOM 368 C VAL A 27 55.599 -8.778 -10.680 1.00 0.00 C ATOM 369 O VAL A 27 56.410 -9.408 -11.359 1.00 0.00 O ATOM 370 CB VAL A 27 56.186 -8.058 -8.362 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.586 -6.854 -7.506 1.00 0.00 C ATOM 372 CG2 VAL A 27 54.846 -8.625 -7.873 1.00 0.00 C ATOM 0 H VAL A 27 54.591 -6.313 -9.045 1.00 0.00 H new ATOM 0 HA VAL A 27 57.023 -7.274 -10.188 1.00 0.00 H new ATOM 0 HB VAL A 27 56.947 -8.835 -8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.683 -7.163 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.539 -6.459 -7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.821 -6.081 -7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.943 -8.945 -6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 27 54.077 -7.855 -7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.564 -9.477 -8.491 1.00 0.00 H new ATOM 382 N TYR A 28 54.306 -9.068 -10.649 1.00 0.00 N ATOM 383 CA TYR A 28 53.771 -10.173 -11.435 1.00 0.00 C ATOM 384 C TYR A 28 53.984 -9.931 -12.926 1.00 0.00 C ATOM 385 O TYR A 28 54.392 -10.834 -13.658 1.00 0.00 O ATOM 386 CB TYR A 28 52.278 -10.344 -11.152 1.00 0.00 C ATOM 387 CG TYR A 28 51.741 -11.488 -11.979 1.00 0.00 C ATOM 388 CD1 TYR A 28 51.879 -12.805 -11.524 1.00 0.00 C ATOM 389 CD2 TYR A 28 51.107 -11.232 -13.200 1.00 0.00 C ATOM 390 CE1 TYR A 28 51.383 -13.866 -12.291 1.00 0.00 C ATOM 391 CE2 TYR A 28 50.611 -12.294 -13.968 1.00 0.00 C ATOM 392 CZ TYR A 28 50.750 -13.611 -13.512 1.00 0.00 C ATOM 393 OH TYR A 28 50.263 -14.657 -14.269 1.00 0.00 O ATOM 0 H TYR A 28 53.615 -8.561 -10.096 1.00 0.00 H new ATOM 0 HA TYR A 28 54.301 -11.081 -11.149 1.00 0.00 H new ATOM 0 HB2 TYR A 28 52.117 -10.540 -10.092 1.00 0.00 H new ATOM 0 HB3 TYR A 28 51.743 -9.425 -11.391 1.00 0.00 H new ATOM 0 HD1 TYR A 28 52.368 -13.002 -10.581 1.00 0.00 H new ATOM 0 HD2 TYR A 28 51.000 -10.216 -13.550 1.00 0.00 H new ATOM 0 HE1 TYR A 28 51.489 -14.882 -11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 28 50.122 -12.097 -14.911 1.00 0.00 H new ATOM 0 HH TYR A 28 49.852 -14.306 -15.086 1.00 0.00 H new ATOM 403 N PHE A 29 53.700 -8.713 -13.374 1.00 0.00 N ATOM 404 CA PHE A 29 53.858 -8.374 -14.784 1.00 0.00 C ATOM 405 C PHE A 29 55.332 -8.346 -15.181 1.00 0.00 C ATOM 406 O PHE A 29 55.741 -9.028 -16.121 1.00 0.00 O ATOM 407 CB PHE A 29 53.230 -7.008 -15.063 1.00 0.00 C ATOM 408 CG PHE A 29 53.203 -6.757 -16.551 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.157 -7.267 -17.328 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.225 -6.014 -17.154 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.132 -7.035 -18.709 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.201 -5.782 -18.535 1.00 0.00 C ATOM 413 CZ PHE A 29 53.154 -6.293 -19.312 1.00 0.00 C ATOM 0 H PHE A 29 53.362 -7.950 -12.788 1.00 0.00 H new ATOM 0 HA PHE A 29 53.355 -9.140 -15.375 1.00 0.00 H new ATOM 0 HB2 PHE A 29 52.218 -6.973 -14.660 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.800 -6.225 -14.562 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.369 -7.840 -16.863 1.00 0.00 H new ATOM 0 HD2 PHE A 29 55.032 -5.620 -16.554 1.00 0.00 H new ATOM 0 HE1 PHE A 29 51.324 -7.429 -19.308 1.00 0.00 H new ATOM 0 HE2 PHE A 29 54.990 -5.209 -19.000 1.00 0.00 H new ATOM 0 HZ PHE A 29 53.135 -6.114 -20.377 1.00 0.00 H new ATOM 423 N LEU A 30 56.124 -7.554 -14.459 1.00 0.00 N ATOM 424 CA LEU A 30 57.551 -7.444 -14.748 1.00 0.00 C ATOM 425 C LEU A 30 58.241 -6.583 -13.693 1.00 0.00 C ATOM 426 O LEU A 30 58.535 -5.412 -13.930 1.00 0.00 O ATOM 427 CB LEU A 30 57.759 -6.819 -16.136 1.00 0.00 C ATOM 428 CG LEU A 30 59.253 -6.792 -16.499 1.00 0.00 C ATOM 429 CD1 LEU A 30 59.807 -8.225 -16.605 1.00 0.00 C ATOM 430 CD2 LEU A 30 59.421 -6.074 -17.843 1.00 0.00 C ATOM 0 H LEU A 30 55.804 -6.984 -13.676 1.00 0.00 H new ATOM 0 HA LEU A 30 57.986 -8.443 -14.732 1.00 0.00 H new ATOM 0 HB2 LEU A 30 57.208 -7.389 -16.884 1.00 0.00 H new ATOM 0 HB3 LEU A 30 57.358 -5.806 -16.148 1.00 0.00 H new ATOM 0 HG LEU A 30 59.804 -6.265 -15.720 1.00 0.00 H new ATOM 0 HD11 LEU A 30 60.865 -8.188 -16.863 1.00 0.00 H new ATOM 0 HD12 LEU A 30 59.684 -8.734 -15.649 1.00 0.00 H new ATOM 0 HD13 LEU A 30 59.264 -8.769 -17.378 1.00 0.00 H new ATOM 0 HD21 LEU A 30 60.477 -6.048 -18.112 1.00 0.00 H new ATOM 0 HD22 LEU A 30 58.863 -6.608 -18.613 1.00 0.00 H new ATOM 0 HD23 LEU A 30 59.042 -5.055 -17.761 1.00 0.00 H new ATOM 442 N GLY A 31 58.494 -7.170 -12.528 1.00 0.00 N ATOM 443 CA GLY A 31 59.148 -6.444 -11.446 1.00 0.00 C ATOM 444 C GLY A 31 60.437 -5.785 -11.927 1.00 0.00 C ATOM 445 O GLY A 31 61.398 -6.466 -12.286 1.00 0.00 O ATOM 0 H GLY A 31 58.258 -8.138 -12.310 1.00 0.00 H new ATOM 0 HA2 GLY A 31 58.472 -5.684 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 31 59.369 -7.128 -10.627 1.00 0.00 H new ATOM 449 N ARG A 32 60.450 -4.455 -11.931 1.00 0.00 N ATOM 450 CA ARG A 32 61.627 -3.710 -12.368 1.00 0.00 C ATOM 451 C ARG A 32 62.751 -3.839 -11.344 1.00 0.00 C ATOM 452 O ARG A 32 63.928 -3.706 -11.681 1.00 0.00 O ATOM 453 CB ARG A 32 61.273 -2.233 -12.551 1.00 0.00 C ATOM 454 CG ARG A 32 60.007 -2.100 -13.405 1.00 0.00 C ATOM 455 CD ARG A 32 60.253 -2.656 -14.813 1.00 0.00 C ATOM 456 NE ARG A 32 61.560 -2.237 -15.307 1.00 0.00 N ATOM 457 CZ ARG A 32 61.766 -0.998 -15.741 1.00 0.00 C ATOM 458 NH1 ARG A 32 60.792 -0.131 -15.726 1.00 0.00 N ATOM 459 NH2 ARG A 32 62.945 -0.649 -16.181 1.00 0.00 N ATOM 0 H ARG A 32 59.664 -3.874 -11.639 1.00 0.00 H new ATOM 0 HA ARG A 32 61.963 -4.124 -13.319 1.00 0.00 H new ATOM 0 HB2 ARG A 32 61.117 -1.765 -11.579 1.00 0.00 H new ATOM 0 HB3 ARG A 32 62.101 -1.708 -13.028 1.00 0.00 H new ATOM 0 HG2 ARG A 32 59.184 -2.637 -12.933 1.00 0.00 H new ATOM 0 HG3 ARG A 32 59.710 -1.053 -13.467 1.00 0.00 H new ATOM 0 HD2 ARG A 32 60.196 -3.744 -14.796 1.00 0.00 H new ATOM 0 HD3 ARG A 32 59.473 -2.307 -15.490 1.00 0.00 H new ATOM 0 HE ARG A 32 62.329 -2.907 -15.320 1.00 0.00 H new ATOM 0 HH11 ARG A 32 59.872 -0.404 -15.381 1.00 0.00 H new ATOM 0 HH12 ARG A 32 60.951 0.820 -16.059 1.00 0.00 H new ATOM 0 HH21 ARG A 32 63.707 -1.327 -16.191 1.00 0.00 H new ATOM 0 HH22 ARG A 32 63.104 0.302 -16.514 1.00 0.00 H new ATOM 473 N LEU A 33 62.381 -4.092 -10.094 1.00 0.00 N ATOM 474 CA LEU A 33 63.368 -4.233 -9.028 1.00 0.00 C ATOM 475 C LEU A 33 64.261 -2.997 -8.969 1.00 0.00 C ATOM 476 CB LEU A 33 64.218 -5.489 -9.265 1.00 0.00 C ATOM 477 CG LEU A 33 65.394 -5.541 -8.276 1.00 0.00 C ATOM 478 CD1 LEU A 33 64.883 -5.360 -6.842 1.00 0.00 C ATOM 479 CD2 LEU A 33 66.091 -6.900 -8.399 1.00 0.00 C ATOM 0 H LEU A 33 61.412 -4.203 -9.794 1.00 0.00 H new ATOM 0 HA LEU A 33 62.847 -4.332 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 33 63.600 -6.380 -9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 33 64.595 -5.492 -10.288 1.00 0.00 H new ATOM 0 HG LEU A 33 66.096 -4.739 -8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 33 65.723 -5.398 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 33 64.383 -4.396 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 33 64.179 -6.157 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 33 66.927 -6.945 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 33 65.382 -7.695 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 33 66.461 -7.028 -9.416 1.00 0.00 H new TER 491 LEU A 33 ATOM 492 N CYS B 1 31.910 10.517 24.779 1.00 0.00 N ATOM 493 CA CYS B 1 32.826 10.939 23.681 1.00 0.00 C ATOM 494 C CYS B 1 34.138 10.170 23.794 1.00 0.00 C ATOM 495 O CYS B 1 34.510 9.422 22.889 1.00 0.00 O ATOM 496 CB CYS B 1 33.090 12.442 23.789 1.00 0.00 C ATOM 497 SG CYS B 1 33.933 13.015 22.293 1.00 0.00 S ATOM 0 H1 CYS B 1 31.014 11.040 24.704 1.00 0.00 H new ATOM 0 H2 CYS B 1 31.723 9.497 24.702 1.00 0.00 H new ATOM 0 H3 CYS B 1 32.353 10.719 25.698 1.00 0.00 H new ATOM 0 HA CYS B 1 32.367 10.725 22.716 1.00 0.00 H new ATOM 0 HB2 CYS B 1 32.150 12.979 23.918 1.00 0.00 H new ATOM 0 HB3 CYS B 1 33.701 12.653 24.667 1.00 0.00 H new ATOM 501 N SER B 2 34.834 10.359 24.910 1.00 0.00 N ATOM 502 CA SER B 2 36.104 9.677 25.129 1.00 0.00 C ATOM 503 C SER B 2 36.996 9.794 23.897 1.00 0.00 C ATOM 504 O SER B 2 37.853 8.943 23.658 1.00 0.00 O ATOM 505 CB SER B 2 35.857 8.203 25.444 1.00 0.00 C ATOM 506 OG SER B 2 35.597 7.503 24.233 1.00 0.00 O ATOM 0 H SER B 2 34.543 10.973 25.671 1.00 0.00 H new ATOM 0 HA SER B 2 36.607 10.149 25.973 1.00 0.00 H new ATOM 0 HB2 SER B 2 36.725 7.776 25.946 1.00 0.00 H new ATOM 0 HB3 SER B 2 35.012 8.101 26.126 1.00 0.00 H new ATOM 0 HG SER B 2 34.907 7.977 23.723 1.00 0.00 H new ATOM 512 N THR B 3 36.789 10.852 23.121 1.00 0.00 N ATOM 513 CA THR B 3 37.582 11.070 21.916 1.00 0.00 C ATOM 514 C THR B 3 37.427 9.898 20.951 1.00 0.00 C ATOM 515 O THR B 3 37.736 8.755 21.291 1.00 0.00 O ATOM 516 CB THR B 3 39.059 11.241 22.285 1.00 0.00 C ATOM 517 OG1 THR B 3 39.165 12.101 23.411 1.00 0.00 O ATOM 518 CG2 THR B 3 39.820 11.848 21.104 1.00 0.00 C ATOM 0 H THR B 3 36.085 11.567 23.302 1.00 0.00 H new ATOM 0 HA THR B 3 37.223 11.976 21.427 1.00 0.00 H new ATOM 0 HB THR B 3 39.488 10.268 22.525 1.00 0.00 H new ATOM 0 HG1 THR B 3 40.109 12.211 23.651 1.00 0.00 H new ATOM 0 HG21 THR B 3 40.870 11.968 21.371 1.00 0.00 H new ATOM 0 HG22 THR B 3 39.738 11.188 20.240 1.00 0.00 H new ATOM 0 HG23 THR B 3 39.395 12.821 20.859 1.00 0.00 H new ATOM 526 N VAL B 4 36.947 10.190 19.746 1.00 0.00 N ATOM 527 CA VAL B 4 36.753 9.154 18.737 1.00 0.00 C ATOM 528 C VAL B 4 38.081 8.800 18.075 1.00 0.00 C ATOM 529 O VAL B 4 38.832 9.684 17.663 1.00 0.00 O ATOM 530 CB VAL B 4 35.764 9.640 17.674 1.00 0.00 C ATOM 531 CG1 VAL B 4 36.287 10.930 17.037 1.00 0.00 C ATOM 532 CG2 VAL B 4 35.605 8.567 16.593 1.00 0.00 C ATOM 0 H VAL B 4 36.687 11.129 19.446 1.00 0.00 H new ATOM 0 HA VAL B 4 36.353 8.265 19.225 1.00 0.00 H new ATOM 0 HB VAL B 4 34.798 9.832 18.141 1.00 0.00 H new ATOM 0 HG11 VAL B 4 35.582 11.274 16.281 1.00 0.00 H new ATOM 0 HG12 VAL B 4 36.398 11.696 17.805 1.00 0.00 H new ATOM 0 HG13 VAL B 4 37.254 10.740 16.571 1.00 0.00 H new ATOM 0 HG21 VAL B 4 34.901 8.914 15.837 1.00 0.00 H new ATOM 0 HG22 VAL B 4 36.571 8.374 16.127 1.00 0.00 H new ATOM 0 HG23 VAL B 4 35.229 7.649 17.044 1.00 0.00 H new ATOM 542 N SER B 5 38.370 7.504 17.977 1.00 0.00 N ATOM 543 CA SER B 5 39.617 7.063 17.363 1.00 0.00 C ATOM 544 C SER B 5 39.650 5.544 17.196 1.00 0.00 C ATOM 545 O SER B 5 40.391 4.851 17.892 1.00 0.00 O ATOM 546 CB SER B 5 40.802 7.502 18.224 1.00 0.00 C ATOM 547 OG SER B 5 41.940 6.719 17.892 1.00 0.00 O ATOM 0 H SER B 5 37.767 6.752 18.310 1.00 0.00 H new ATOM 0 HA SER B 5 39.683 7.519 16.375 1.00 0.00 H new ATOM 0 HB2 SER B 5 41.013 8.559 18.060 1.00 0.00 H new ATOM 0 HB3 SER B 5 40.562 7.385 19.281 1.00 0.00 H new ATOM 0 HG SER B 5 41.829 5.813 18.249 1.00 0.00 H new ATOM 553 N PRO B 6 38.879 5.023 16.277 1.00 0.00 N ATOM 554 CA PRO B 6 38.837 3.556 15.997 1.00 0.00 C ATOM 555 C PRO B 6 40.238 2.961 15.900 1.00 0.00 C ATOM 556 O PRO B 6 40.813 2.856 14.818 1.00 0.00 O ATOM 557 CB PRO B 6 38.072 3.472 14.671 1.00 0.00 C ATOM 558 CG PRO B 6 37.189 4.680 14.662 1.00 0.00 C ATOM 559 CD PRO B 6 37.963 5.775 15.404 1.00 0.00 C ATOM 0 HA PRO B 6 38.358 2.982 16.790 1.00 0.00 H new ATOM 0 HB2 PRO B 6 38.754 3.474 13.820 1.00 0.00 H new ATOM 0 HB3 PRO B 6 37.487 2.554 14.609 1.00 0.00 H new ATOM 0 HG2 PRO B 6 36.959 4.988 13.642 1.00 0.00 H new ATOM 0 HG3 PRO B 6 36.239 4.472 15.154 1.00 0.00 H new ATOM 0 HD2 PRO B 6 38.507 6.419 14.713 1.00 0.00 H new ATOM 0 HD3 PRO B 6 37.296 6.416 15.980 1.00 0.00 H new ATOM 567 N GLY B 7 40.780 2.580 17.055 1.00 0.00 N ATOM 568 CA GLY B 7 42.116 2.002 17.110 1.00 0.00 C ATOM 569 C GLY B 7 42.286 0.936 16.038 1.00 0.00 C ATOM 570 O GLY B 7 43.389 0.721 15.533 1.00 0.00 O ATOM 0 H GLY B 7 40.316 2.661 17.959 1.00 0.00 H new ATOM 0 HA2 GLY B 7 42.862 2.785 16.973 1.00 0.00 H new ATOM 0 HA3 GLY B 7 42.289 1.566 18.094 1.00 0.00 H new ATOM 574 N VAL B 8 41.189 0.276 15.685 1.00 0.00 N ATOM 575 CA VAL B 8 41.243 -0.756 14.663 1.00 0.00 C ATOM 576 C VAL B 8 41.727 -0.150 13.347 1.00 0.00 C ATOM 577 O VAL B 8 42.594 -0.718 12.676 1.00 0.00 O ATOM 578 CB VAL B 8 39.865 -1.403 14.486 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.903 -0.420 13.812 1.00 0.00 C ATOM 580 CG2 VAL B 8 40.003 -2.664 13.626 1.00 0.00 C ATOM 0 H VAL B 8 40.265 0.435 16.086 1.00 0.00 H new ATOM 0 HA VAL B 8 41.944 -1.531 14.973 1.00 0.00 H new ATOM 0 HB VAL B 8 39.466 -1.669 15.465 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.927 -0.891 13.691 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.802 0.472 14.430 1.00 0.00 H new ATOM 0 HG13 VAL B 8 39.294 -0.141 12.834 1.00 0.00 H new ATOM 0 HG21 VAL B 8 39.024 -3.126 13.498 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.408 -2.396 12.650 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.675 -3.368 14.117 1.00 0.00 H new ATOM 590 N LEU B 9 41.196 1.022 12.991 1.00 0.00 N ATOM 591 CA LEU B 9 41.632 1.679 11.753 1.00 0.00 C ATOM 592 C LEU B 9 43.149 1.903 11.800 1.00 0.00 C ATOM 593 O LEU B 9 43.874 1.546 10.866 1.00 0.00 O ATOM 594 CB LEU B 9 40.909 3.031 11.583 1.00 0.00 C ATOM 595 CG LEU B 9 39.686 2.912 10.643 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.138 2.613 9.189 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.746 1.805 11.148 1.00 0.00 C ATOM 0 H LEU B 9 40.485 1.525 13.522 1.00 0.00 H new ATOM 0 HA LEU B 9 41.384 1.041 10.905 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.585 3.395 12.558 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.605 3.768 11.183 1.00 0.00 H new ATOM 0 HG LEU B 9 39.151 3.862 10.644 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.262 2.533 8.545 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.778 3.421 8.833 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.692 1.675 9.166 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.887 1.726 10.482 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.280 0.855 11.166 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.404 2.049 12.154 1.00 0.00 H new ATOM 609 N ALA B 10 43.623 2.488 12.899 1.00 0.00 N ATOM 610 CA ALA B 10 45.051 2.741 13.057 1.00 0.00 C ATOM 611 C ALA B 10 45.814 1.435 12.903 1.00 0.00 C ATOM 612 O ALA B 10 46.954 1.401 12.440 1.00 0.00 O ATOM 613 CB ALA B 10 45.331 3.344 14.435 1.00 0.00 C ATOM 0 H ALA B 10 43.046 2.792 13.683 1.00 0.00 H new ATOM 0 HA ALA B 10 45.376 3.447 12.293 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.400 3.528 14.541 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.789 4.284 14.538 1.00 0.00 H new ATOM 0 HB3 ALA B 10 45.004 2.650 15.209 1.00 0.00 H new ATOM 619 N GLY B 11 45.164 0.351 13.271 1.00 0.00 N ATOM 620 CA GLY B 11 45.785 -0.953 13.144 1.00 0.00 C ATOM 621 C GLY B 11 45.999 -1.265 11.671 1.00 0.00 C ATOM 622 O GLY B 11 47.018 -1.842 11.277 1.00 0.00 O ATOM 0 H GLY B 11 44.219 0.344 13.655 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.738 -0.968 13.673 1.00 0.00 H new ATOM 0 HA3 GLY B 11 45.154 -1.715 13.601 1.00 0.00 H new ATOM 626 N ILE B 12 45.027 -0.871 10.854 1.00 0.00 N ATOM 627 CA ILE B 12 45.121 -1.118 9.425 1.00 0.00 C ATOM 628 C ILE B 12 46.240 -0.282 8.789 1.00 0.00 C ATOM 629 O ILE B 12 46.989 -0.810 7.979 1.00 0.00 O ATOM 630 CB ILE B 12 43.764 -0.856 8.726 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.825 -2.072 8.895 1.00 0.00 C ATOM 632 CG2 ILE B 12 43.984 -0.611 7.224 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.297 -2.145 10.326 1.00 0.00 C ATOM 0 H ILE B 12 44.180 -0.388 11.153 1.00 0.00 H new ATOM 0 HA ILE B 12 45.373 -2.169 9.285 1.00 0.00 H new ATOM 0 HB ILE B 12 43.310 0.022 9.185 1.00 0.00 H new ATOM 0 HG12 ILE B 12 41.991 -1.995 8.197 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.361 -2.989 8.652 1.00 0.00 H new ATOM 0 HG21 ILE B 12 43.024 -0.428 6.741 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.630 0.256 7.088 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.454 -1.487 6.777 1.00 0.00 H new ATOM 0 HD11 ILE B 12 41.638 -3.007 10.427 1.00 0.00 H new ATOM 0 HD12 ILE B 12 43.133 -2.245 11.018 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.743 -1.235 10.556 1.00 0.00 H new ATOM 645 N VAL B 13 46.369 1.008 9.130 1.00 0.00 N ATOM 646 CA VAL B 13 47.441 1.799 8.510 1.00 0.00 C ATOM 647 C VAL B 13 48.791 1.190 8.854 1.00 0.00 C ATOM 648 O VAL B 13 49.686 1.138 8.012 1.00 0.00 O ATOM 649 CB VAL B 13 47.389 3.291 8.904 1.00 0.00 C ATOM 650 CG1 VAL B 13 45.930 3.779 8.918 1.00 0.00 C ATOM 651 CG2 VAL B 13 48.046 3.524 10.280 1.00 0.00 C ATOM 0 H VAL B 13 45.778 1.506 9.796 1.00 0.00 H new ATOM 0 HA VAL B 13 47.292 1.766 7.431 1.00 0.00 H new ATOM 0 HB VAL B 13 47.949 3.862 8.164 1.00 0.00 H new ATOM 0 HG11 VAL B 13 45.901 4.832 9.197 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.495 3.654 7.926 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.358 3.197 9.641 1.00 0.00 H new ATOM 0 HG21 VAL B 13 47.995 4.583 10.533 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.519 2.945 11.038 1.00 0.00 H new ATOM 0 HG23 VAL B 13 49.089 3.209 10.243 1.00 0.00 H new ATOM 661 N VAL B 14 48.936 0.685 10.073 1.00 0.00 N ATOM 662 CA VAL B 14 50.191 0.047 10.430 1.00 0.00 C ATOM 663 C VAL B 14 50.421 -1.103 9.454 1.00 0.00 C ATOM 664 O VAL B 14 51.523 -1.295 8.925 1.00 0.00 O ATOM 665 CB VAL B 14 50.140 -0.477 11.868 1.00 0.00 C ATOM 666 CG1 VAL B 14 51.377 -1.333 12.150 1.00 0.00 C ATOM 667 CG2 VAL B 14 50.115 0.708 12.837 1.00 0.00 C ATOM 0 H VAL B 14 48.227 0.703 10.806 1.00 0.00 H new ATOM 0 HA VAL B 14 51.008 0.766 10.371 1.00 0.00 H new ATOM 0 HB VAL B 14 49.243 -1.082 12.000 1.00 0.00 H new ATOM 0 HG11 VAL B 14 51.337 -1.704 13.174 1.00 0.00 H new ATOM 0 HG12 VAL B 14 51.401 -2.176 11.459 1.00 0.00 H new ATOM 0 HG13 VAL B 14 52.275 -0.730 12.018 1.00 0.00 H new ATOM 0 HG21 VAL B 14 50.079 0.339 13.862 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.014 1.309 12.699 1.00 0.00 H new ATOM 0 HG23 VAL B 14 49.235 1.320 12.640 1.00 0.00 H new ATOM 677 N GLY B 15 49.349 -1.851 9.201 1.00 0.00 N ATOM 678 CA GLY B 15 49.407 -2.972 8.271 1.00 0.00 C ATOM 679 C GLY B 15 49.704 -2.500 6.847 1.00 0.00 C ATOM 680 O GLY B 15 50.351 -3.207 6.084 1.00 0.00 O ATOM 0 H GLY B 15 48.434 -1.701 9.626 1.00 0.00 H new ATOM 0 HA2 GLY B 15 50.177 -3.673 8.592 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.459 -3.510 8.288 1.00 0.00 H new ATOM 684 N ASP B 16 49.224 -1.308 6.494 1.00 0.00 N ATOM 685 CA ASP B 16 49.445 -0.762 5.157 1.00 0.00 C ATOM 686 C ASP B 16 50.937 -0.574 4.911 1.00 0.00 C ATOM 687 O ASP B 16 51.471 -0.990 3.880 1.00 0.00 O ATOM 688 CB ASP B 16 48.716 0.581 5.019 1.00 0.00 C ATOM 689 CG ASP B 16 48.981 1.200 3.651 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.137 1.286 3.272 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.021 1.588 3.006 1.00 0.00 O ATOM 0 H ASP B 16 48.682 -0.705 7.113 1.00 0.00 H new ATOM 0 HA ASP B 16 49.052 -1.459 4.417 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.645 0.435 5.156 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.047 1.263 5.802 1.00 0.00 H new ATOM 696 N LEU B 17 51.606 0.046 5.875 1.00 0.00 N ATOM 697 CA LEU B 17 53.037 0.279 5.769 1.00 0.00 C ATOM 698 C LEU B 17 53.770 -1.053 5.643 1.00 0.00 C ATOM 699 O LEU B 17 54.671 -1.210 4.812 1.00 0.00 O ATOM 700 CB LEU B 17 53.521 1.024 7.021 1.00 0.00 C ATOM 701 CG LEU B 17 52.937 2.466 7.048 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.528 2.847 8.479 1.00 0.00 C ATOM 703 CD2 LEU B 17 53.986 3.469 6.541 1.00 0.00 C ATOM 0 H LEU B 17 51.181 0.394 6.734 1.00 0.00 H new ATOM 0 HA LEU B 17 53.244 0.881 4.884 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.214 0.483 7.916 1.00 0.00 H new ATOM 0 HB3 LEU B 17 54.610 1.065 7.030 1.00 0.00 H new ATOM 0 HG LEU B 17 52.060 2.495 6.401 1.00 0.00 H new ATOM 0 HD11 LEU B 17 52.121 3.858 8.484 1.00 0.00 H new ATOM 0 HD12 LEU B 17 51.772 2.150 8.839 1.00 0.00 H new ATOM 0 HD13 LEU B 17 53.401 2.804 9.131 1.00 0.00 H new ATOM 0 HD21 LEU B 17 53.568 4.475 6.564 1.00 0.00 H new ATOM 0 HD22 LEU B 17 54.868 3.428 7.181 1.00 0.00 H new ATOM 0 HD23 LEU B 17 54.267 3.216 5.519 1.00 0.00 H new ATOM 715 N VAL B 18 53.368 -2.012 6.470 1.00 0.00 N ATOM 716 CA VAL B 18 53.986 -3.333 6.444 1.00 0.00 C ATOM 717 C VAL B 18 53.697 -4.048 5.124 1.00 0.00 C ATOM 718 O VAL B 18 54.456 -4.916 4.705 1.00 0.00 O ATOM 719 CB VAL B 18 53.460 -4.176 7.607 1.00 0.00 C ATOM 720 CG1 VAL B 18 54.065 -5.578 7.539 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.852 -3.517 8.932 1.00 0.00 C ATOM 0 H VAL B 18 52.625 -1.902 7.160 1.00 0.00 H new ATOM 0 HA VAL B 18 55.064 -3.205 6.540 1.00 0.00 H new ATOM 0 HB VAL B 18 52.374 -4.246 7.541 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.689 -6.177 8.368 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.787 -6.049 6.596 1.00 0.00 H new ATOM 0 HG13 VAL B 18 55.151 -5.509 7.604 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.478 -4.117 9.761 1.00 0.00 H new ATOM 0 HG22 VAL B 18 54.938 -3.447 8.996 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.420 -2.518 8.983 1.00 0.00 H new ATOM 731 N LEU B 19 52.591 -3.687 4.480 1.00 0.00 N ATOM 732 CA LEU B 19 52.203 -4.307 3.214 1.00 0.00 C ATOM 733 C LEU B 19 53.150 -3.871 2.099 1.00 0.00 C ATOM 734 O LEU B 19 53.676 -4.701 1.350 1.00 0.00 O ATOM 735 CB LEU B 19 50.753 -3.898 2.886 1.00 0.00 C ATOM 736 CG LEU B 19 50.046 -4.980 2.052 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.546 -4.675 1.988 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.619 -5.004 0.632 1.00 0.00 C ATOM 0 H LEU B 19 51.947 -2.969 4.812 1.00 0.00 H new ATOM 0 HA LEU B 19 52.264 -5.392 3.300 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.202 -3.730 3.811 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.753 -2.955 2.339 1.00 0.00 H new ATOM 0 HG LEU B 19 50.205 -5.952 2.520 1.00 0.00 H new ATOM 0 HD11 LEU B 19 48.044 -5.441 1.397 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.133 -4.666 2.997 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.392 -3.701 1.524 1.00 0.00 H new ATOM 0 HD21 LEU B 19 50.113 -5.773 0.048 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.467 -4.032 0.162 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.686 -5.224 0.674 1.00 0.00 H new ATOM 750 N THR B 20 53.369 -2.566 2.002 1.00 0.00 N ATOM 751 CA THR B 20 54.256 -2.026 0.981 1.00 0.00 C ATOM 752 C THR B 20 55.669 -2.566 1.158 1.00 0.00 C ATOM 753 O THR B 20 56.313 -2.976 0.191 1.00 0.00 O ATOM 754 CB THR B 20 54.282 -0.498 1.070 1.00 0.00 C ATOM 755 OG1 THR B 20 52.953 -0.003 1.124 1.00 0.00 O ATOM 756 CG2 THR B 20 54.992 0.074 -0.158 1.00 0.00 C ATOM 0 H THR B 20 52.948 -1.867 2.613 1.00 0.00 H new ATOM 0 HA THR B 20 53.881 -2.331 0.004 1.00 0.00 H new ATOM 0 HB THR B 20 54.817 -0.197 1.970 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.970 0.975 1.183 1.00 0.00 H new ATOM 0 HG21 THR B 20 55.010 1.162 -0.094 1.00 0.00 H new ATOM 0 HG22 THR B 20 56.014 -0.304 -0.197 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.459 -0.228 -1.060 1.00 0.00 H new ATOM 764 N VAL B 21 56.152 -2.550 2.395 1.00 0.00 N ATOM 765 CA VAL B 21 57.500 -3.027 2.682 1.00 0.00 C ATOM 766 C VAL B 21 57.608 -4.544 2.550 1.00 0.00 C ATOM 767 O VAL B 21 58.685 -5.069 2.275 1.00 0.00 O ATOM 768 CB VAL B 21 57.908 -2.609 4.097 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.303 -3.152 4.411 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.924 -1.083 4.193 1.00 0.00 C ATOM 0 H VAL B 21 55.636 -2.215 3.209 1.00 0.00 H new ATOM 0 HA VAL B 21 58.171 -2.577 1.950 1.00 0.00 H new ATOM 0 HB VAL B 21 57.192 -3.013 4.813 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.591 -2.853 5.419 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.294 -4.240 4.344 1.00 0.00 H new ATOM 0 HG13 VAL B 21 60.020 -2.750 3.694 1.00 0.00 H new ATOM 0 HG21 VAL B 21 58.214 -0.785 5.200 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.639 -0.681 3.475 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.930 -0.694 3.972 1.00 0.00 H new ATOM 780 N LEU B 22 56.503 -5.248 2.766 1.00 0.00 N ATOM 781 CA LEU B 22 56.516 -6.707 2.684 1.00 0.00 C ATOM 782 C LEU B 22 56.696 -7.184 1.247 1.00 0.00 C ATOM 783 O LEU B 22 57.588 -7.980 0.965 1.00 0.00 O ATOM 784 CB LEU B 22 55.212 -7.273 3.270 1.00 0.00 C ATOM 785 CG LEU B 22 55.110 -8.784 3.017 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.371 -9.488 3.534 1.00 0.00 C ATOM 787 CD2 LEU B 22 53.883 -9.328 3.756 1.00 0.00 C ATOM 0 H LEU B 22 55.597 -4.841 2.996 1.00 0.00 H new ATOM 0 HA LEU B 22 57.364 -7.071 3.264 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.174 -7.076 4.341 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.357 -6.766 2.822 1.00 0.00 H new ATOM 0 HG LEU B 22 55.015 -8.969 1.947 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.291 -10.559 3.351 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.245 -9.096 3.015 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.474 -9.310 4.604 1.00 0.00 H new ATOM 0 HD21 LEU B 22 53.800 -10.401 3.583 1.00 0.00 H new ATOM 0 HD22 LEU B 22 53.988 -9.139 4.824 1.00 0.00 H new ATOM 0 HD23 LEU B 22 52.986 -8.831 3.387 1.00 0.00 H new ATOM 799 N ILE B 23 55.846 -6.712 0.343 1.00 0.00 N ATOM 800 CA ILE B 23 55.943 -7.131 -1.052 1.00 0.00 C ATOM 801 C ILE B 23 57.183 -6.522 -1.702 1.00 0.00 C ATOM 802 O ILE B 23 57.899 -7.196 -2.448 1.00 0.00 O ATOM 803 CB ILE B 23 54.671 -6.741 -1.818 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.456 -7.295 -1.066 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.705 -7.352 -3.230 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.173 -6.709 -1.650 1.00 0.00 C ATOM 0 H ILE B 23 55.095 -6.051 0.544 1.00 0.00 H new ATOM 0 HA ILE B 23 56.039 -8.216 -1.088 1.00 0.00 H new ATOM 0 HB ILE B 23 54.609 -5.656 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.436 -8.382 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.530 -7.049 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.800 -7.072 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.577 -6.979 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.762 -8.438 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.313 -7.107 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.192 -5.623 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.097 -6.978 -2.704 1.00 0.00 H new ATOM 818 N ALA B 24 57.452 -5.254 -1.403 1.00 0.00 N ATOM 819 CA ALA B 24 58.625 -4.597 -1.959 1.00 0.00 C ATOM 820 C ALA B 24 59.886 -5.329 -1.512 1.00 0.00 C ATOM 821 O ALA B 24 60.803 -5.554 -2.305 1.00 0.00 O ATOM 822 CB ALA B 24 58.683 -3.140 -1.497 1.00 0.00 C ATOM 0 H ALA B 24 56.883 -4.671 -0.789 1.00 0.00 H new ATOM 0 HA ALA B 24 58.560 -4.620 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.565 -2.659 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.788 -2.616 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.737 -3.105 -0.409 1.00 0.00 H new ATOM 828 N LEU B 25 59.916 -5.716 -0.239 1.00 0.00 N ATOM 829 CA LEU B 25 61.060 -6.440 0.297 1.00 0.00 C ATOM 830 C LEU B 25 61.090 -7.844 -0.287 1.00 0.00 C ATOM 831 O LEU B 25 62.152 -8.451 -0.423 1.00 0.00 O ATOM 832 CB LEU B 25 60.968 -6.511 1.828 1.00 0.00 C ATOM 833 CG LEU B 25 62.129 -7.338 2.403 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.477 -6.763 1.943 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.053 -7.303 3.935 1.00 0.00 C ATOM 0 H LEU B 25 59.168 -5.542 0.433 1.00 0.00 H new ATOM 0 HA LEU B 25 61.976 -5.916 0.025 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.990 -5.505 2.246 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.017 -6.957 2.120 1.00 0.00 H new ATOM 0 HG LEU B 25 62.049 -8.365 2.046 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.288 -7.360 2.359 1.00 0.00 H new ATOM 0 HD12 LEU B 25 63.530 -6.787 0.855 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.570 -5.733 2.289 1.00 0.00 H new ATOM 0 HD21 LEU B 25 62.873 -7.887 4.353 1.00 0.00 H new ATOM 0 HD22 LEU B 25 62.129 -6.272 4.280 1.00 0.00 H new ATOM 0 HD23 LEU B 25 61.103 -7.725 4.262 1.00 0.00 H new ATOM 847 N ALA B 26 59.912 -8.356 -0.628 1.00 0.00 N ATOM 848 CA ALA B 26 59.810 -9.692 -1.196 1.00 0.00 C ATOM 849 C ALA B 26 60.609 -9.777 -2.488 1.00 0.00 C ATOM 850 O ALA B 26 61.461 -10.654 -2.636 1.00 0.00 O ATOM 851 CB ALA B 26 58.346 -10.045 -1.470 1.00 0.00 C ATOM 0 H ALA B 26 59.022 -7.869 -0.521 1.00 0.00 H new ATOM 0 HA ALA B 26 60.217 -10.403 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.287 -11.047 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA B 26 57.783 -10.012 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA B 26 57.924 -9.327 -2.174 1.00 0.00 H new ATOM 857 N VAL B 27 60.342 -8.869 -3.430 1.00 0.00 N ATOM 858 CA VAL B 27 61.080 -8.895 -4.691 1.00 0.00 C ATOM 859 C VAL B 27 62.529 -8.466 -4.487 1.00 0.00 C ATOM 860 O VAL B 27 63.428 -8.964 -5.163 1.00 0.00 O ATOM 861 CB VAL B 27 60.419 -7.984 -5.724 1.00 0.00 C ATOM 862 CG1 VAL B 27 59.124 -8.626 -6.226 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.102 -6.634 -5.080 1.00 0.00 C ATOM 0 H VAL B 27 59.644 -8.130 -3.348 1.00 0.00 H new ATOM 0 HA VAL B 27 61.066 -9.921 -5.058 1.00 0.00 H new ATOM 0 HB VAL B 27 61.098 -7.839 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.656 -7.973 -6.963 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.349 -9.588 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.443 -8.775 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.630 -5.982 -5.815 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.425 -6.782 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.025 -6.174 -4.726 1.00 0.00 H new ATOM 873 N TYR B 28 62.757 -7.540 -3.565 1.00 0.00 N ATOM 874 CA TYR B 28 64.113 -7.066 -3.309 1.00 0.00 C ATOM 875 C TYR B 28 65.014 -8.220 -2.871 1.00 0.00 C ATOM 876 O TYR B 28 66.112 -8.397 -3.398 1.00 0.00 O ATOM 877 CB TYR B 28 64.097 -5.987 -2.226 1.00 0.00 C ATOM 878 CG TYR B 28 65.460 -5.344 -2.136 1.00 0.00 C ATOM 879 CD1 TYR B 28 65.795 -4.293 -2.998 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.390 -5.801 -1.195 1.00 0.00 C ATOM 881 CE1 TYR B 28 67.060 -3.698 -2.918 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.654 -5.205 -1.114 1.00 0.00 C ATOM 883 CZ TYR B 28 67.990 -4.154 -1.976 1.00 0.00 C ATOM 884 OH TYR B 28 69.236 -3.567 -1.896 1.00 0.00 O ATOM 0 H TYR B 28 62.034 -7.107 -2.990 1.00 0.00 H new ATOM 0 HA TYR B 28 64.508 -6.644 -4.233 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.343 -5.235 -2.458 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.825 -6.425 -1.265 1.00 0.00 H new ATOM 0 HD1 TYR B 28 65.078 -3.941 -3.725 1.00 0.00 H new ATOM 0 HD2 TYR B 28 66.132 -6.613 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR B 28 67.318 -2.887 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.371 -5.556 -0.386 1.00 0.00 H new ATOM 0 HH TYR B 28 69.758 -4.002 -1.189 1.00 0.00 H new ATOM 894 N PHE B 29 64.543 -8.999 -1.901 1.00 0.00 N ATOM 895 CA PHE B 29 65.314 -10.131 -1.397 1.00 0.00 C ATOM 896 C PHE B 29 65.352 -11.267 -2.415 1.00 0.00 C ATOM 897 O PHE B 29 66.422 -11.773 -2.754 1.00 0.00 O ATOM 898 CB PHE B 29 64.695 -10.639 -0.092 1.00 0.00 C ATOM 899 CG PHE B 29 65.590 -11.691 0.518 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.631 -11.315 1.376 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.380 -13.045 0.226 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.459 -12.290 1.943 1.00 0.00 C ATOM 903 CE2 PHE B 29 66.209 -14.020 0.792 1.00 0.00 C ATOM 904 CZ PHE B 29 67.249 -13.643 1.651 1.00 0.00 C ATOM 0 H PHE B 29 63.637 -8.868 -1.451 1.00 0.00 H new ATOM 0 HA PHE B 29 66.335 -9.793 -1.217 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.562 -9.812 0.605 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.706 -11.056 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.795 -10.271 1.600 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.578 -13.336 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.260 -11.999 2.606 1.00 0.00 H new ATOM 0 HE2 PHE B 29 66.047 -15.064 0.566 1.00 0.00 H new ATOM 0 HZ PHE B 29 67.889 -14.396 2.088 1.00 0.00 H new ATOM 914 N LEU B 30 64.179 -11.666 -2.897 1.00 0.00 N ATOM 915 CA LEU B 30 64.093 -12.749 -3.873 1.00 0.00 C ATOM 916 C LEU B 30 64.791 -12.357 -5.171 1.00 0.00 C ATOM 917 O LEU B 30 65.495 -13.166 -5.777 1.00 0.00 O ATOM 918 CB LEU B 30 62.625 -13.077 -4.162 1.00 0.00 C ATOM 919 CG LEU B 30 61.940 -13.604 -2.892 1.00 0.00 C ATOM 920 CD1 LEU B 30 60.433 -13.712 -3.145 1.00 0.00 C ATOM 921 CD2 LEU B 30 62.500 -14.990 -2.511 1.00 0.00 C ATOM 0 H LEU B 30 63.282 -11.260 -2.631 1.00 0.00 H new ATOM 0 HA LEU B 30 64.587 -13.627 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU B 30 62.109 -12.186 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU B 30 62.560 -13.822 -4.955 1.00 0.00 H new ATOM 0 HG LEU B 30 62.133 -12.914 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU B 30 59.939 -14.086 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU B 30 60.035 -12.729 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU B 30 60.251 -14.399 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU B 30 62.003 -15.348 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU B 30 62.321 -15.691 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU B 30 63.572 -14.912 -2.328 1.00 0.00 H new ATOM 933 N GLY B 31 64.592 -11.114 -5.593 1.00 0.00 N ATOM 934 CA GLY B 31 65.207 -10.627 -6.822 1.00 0.00 C ATOM 935 C GLY B 31 66.728 -10.705 -6.736 1.00 0.00 C ATOM 936 O GLY B 31 67.354 -9.973 -5.971 1.00 0.00 O ATOM 0 H GLY B 31 64.014 -10.429 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY B 31 64.856 -11.217 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY B 31 64.901 -9.597 -7.003 1.00 0.00 H new ATOM 940 N ARG B 32 67.315 -11.598 -7.527 1.00 0.00 N ATOM 941 CA ARG B 32 68.765 -11.764 -7.534 1.00 0.00 C ATOM 942 C ARG B 32 69.425 -10.678 -8.378 1.00 0.00 C ATOM 943 O ARG B 32 69.648 -10.859 -9.575 1.00 0.00 O ATOM 944 CB ARG B 32 69.128 -13.141 -8.091 1.00 0.00 C ATOM 945 CG ARG B 32 70.639 -13.353 -7.987 1.00 0.00 C ATOM 946 CD ARG B 32 70.991 -14.764 -8.463 1.00 0.00 C ATOM 947 NE ARG B 32 72.401 -15.043 -8.214 1.00 0.00 N ATOM 948 CZ ARG B 32 72.827 -15.415 -7.011 1.00 0.00 C ATOM 949 NH1 ARG B 32 71.978 -15.532 -6.027 1.00 0.00 N ATOM 950 NH2 ARG B 32 74.093 -15.662 -6.814 1.00 0.00 N ATOM 0 H ARG B 32 66.814 -12.214 -8.167 1.00 0.00 H new ATOM 0 HA ARG B 32 69.128 -11.680 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG B 32 68.602 -13.919 -7.537 1.00 0.00 H new ATOM 0 HB3 ARG B 32 68.810 -13.220 -9.131 1.00 0.00 H new ATOM 0 HG2 ARG B 32 71.163 -12.613 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG B 32 70.966 -13.213 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG B 32 70.371 -15.496 -7.945 1.00 0.00 H new ATOM 0 HD3 ARG B 32 70.776 -14.861 -9.527 1.00 0.00 H new ATOM 0 HE ARG B 32 73.072 -14.951 -8.977 1.00 0.00 H new ATOM 0 HH11 ARG B 32 70.989 -15.338 -6.181 1.00 0.00 H new ATOM 0 HH12 ARG B 32 72.304 -15.817 -5.104 1.00 0.00 H new ATOM 0 HH21 ARG B 32 74.756 -15.570 -7.583 1.00 0.00 H new ATOM 0 HH22 ARG B 32 74.419 -15.947 -5.891 1.00 0.00 H new ATOM 964 N LEU B 33 69.733 -9.551 -7.747 1.00 0.00 N ATOM 965 CA LEU B 33 70.366 -8.441 -8.450 1.00 0.00 C ATOM 966 C LEU B 33 69.633 -8.156 -9.758 1.00 0.00 C ATOM 967 CB LEU B 33 71.836 -8.775 -8.746 1.00 0.00 C ATOM 968 CG LEU B 33 72.684 -8.658 -7.466 1.00 0.00 C ATOM 969 CD1 LEU B 33 72.794 -7.188 -7.014 1.00 0.00 C ATOM 970 CD2 LEU B 33 72.051 -9.500 -6.350 1.00 0.00 C ATOM 0 H LEU B 33 69.556 -9.382 -6.757 1.00 0.00 H new ATOM 0 HA LEU B 33 70.318 -7.556 -7.815 1.00 0.00 H new ATOM 0 HB2 LEU B 33 71.912 -9.785 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU B 33 72.222 -8.099 -9.508 1.00 0.00 H new ATOM 0 HG LEU B 33 73.687 -9.028 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU B 33 73.397 -7.130 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU B 33 73.264 -6.599 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU B 33 71.798 -6.794 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU B 33 72.653 -9.416 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU B 33 71.042 -9.139 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU B 33 72.008 -10.544 -6.661 1.00 0.00 H new TER 982 LEU B 33