USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ 146:sc= 0.187 (180deg=0.0462) USER MOD Single : A 2 SER OG : rot 51:sc= -0.149 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.879 USER MOD Single : A 20 THR OG1 : rot -148:sc= -1.08 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 CYS N :NH3+ -147:sc= 0.754 (180deg=0.313) USER MOD Single : B 2 SER OG : rot -58:sc= 1.03 USER MOD Single : B 3 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : B 5 SER OG : rot 85:sc= 0.738 USER MOD Single : B 20 THR OG1 : rot 180:sc= -3.51! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 33.412 13.318 23.438 1.00 0.00 N ATOM 2 CA CYS A 1 33.416 13.525 21.962 1.00 0.00 C ATOM 3 C CYS A 1 34.531 14.495 21.589 1.00 0.00 C ATOM 4 O CYS A 1 34.974 15.293 22.415 1.00 0.00 O ATOM 5 CB CYS A 1 32.063 14.089 21.525 1.00 0.00 C ATOM 6 SG CYS A 1 30.775 12.850 21.806 1.00 0.00 S ATOM 0 H1 CYS A 1 32.435 13.182 23.767 1.00 0.00 H new ATOM 0 H2 CYS A 1 33.976 12.476 23.672 1.00 0.00 H new ATOM 0 H3 CYS A 1 33.822 14.151 23.906 1.00 0.00 H new ATOM 0 HA CYS A 1 33.587 12.574 21.457 1.00 0.00 H new ATOM 0 HB2 CYS A 1 31.838 14.997 22.084 1.00 0.00 H new ATOM 0 HB3 CYS A 1 32.095 14.364 20.471 1.00 0.00 H new ATOM 10 N SER A 2 34.980 14.422 20.340 1.00 0.00 N ATOM 11 CA SER A 2 36.043 15.300 19.869 1.00 0.00 C ATOM 12 C SER A 2 36.103 15.299 18.345 1.00 0.00 C ATOM 13 O SER A 2 35.280 14.669 17.681 1.00 0.00 O ATOM 14 CB SER A 2 37.388 14.844 20.435 1.00 0.00 C ATOM 15 OG SER A 2 38.404 15.745 20.013 1.00 0.00 O ATOM 0 H SER A 2 34.627 13.769 19.641 1.00 0.00 H new ATOM 0 HA SER A 2 35.830 16.312 20.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 37.345 14.810 21.524 1.00 0.00 H new ATOM 0 HB3 SER A 2 37.616 13.834 20.093 1.00 0.00 H new ATOM 0 HG SER A 2 38.129 16.664 20.212 1.00 0.00 H new ATOM 21 N THR A 3 37.082 16.011 17.797 1.00 0.00 N ATOM 22 CA THR A 3 37.242 16.089 16.350 1.00 0.00 C ATOM 23 C THR A 3 37.647 14.733 15.775 1.00 0.00 C ATOM 24 O THR A 3 36.870 14.097 15.065 1.00 0.00 O ATOM 25 CB THR A 3 38.306 17.135 16.000 1.00 0.00 C ATOM 26 OG1 THR A 3 37.883 18.408 16.464 1.00 0.00 O ATOM 27 CG2 THR A 3 38.501 17.182 14.483 1.00 0.00 C ATOM 0 H THR A 3 37.773 16.539 18.330 1.00 0.00 H new ATOM 0 HA THR A 3 36.286 16.380 15.914 1.00 0.00 H new ATOM 0 HB THR A 3 39.250 16.868 16.476 1.00 0.00 H new ATOM 0 HG1 THR A 3 38.562 19.079 16.243 1.00 0.00 H new ATOM 0 HG21 THR A 3 39.258 17.926 14.236 1.00 0.00 H new ATOM 0 HG22 THR A 3 38.825 16.204 14.127 1.00 0.00 H new ATOM 0 HG23 THR A 3 37.559 17.449 14.003 1.00 0.00 H new ATOM 35 N VAL A 4 38.866 14.304 16.087 1.00 0.00 N ATOM 36 CA VAL A 4 39.377 13.024 15.598 1.00 0.00 C ATOM 37 C VAL A 4 39.330 12.965 14.073 1.00 0.00 C ATOM 38 O VAL A 4 40.359 13.098 13.411 1.00 0.00 O ATOM 39 CB VAL A 4 38.559 11.870 16.187 1.00 0.00 C ATOM 40 CG1 VAL A 4 39.028 10.546 15.577 1.00 0.00 C ATOM 41 CG2 VAL A 4 38.757 11.826 17.704 1.00 0.00 C ATOM 0 H VAL A 4 39.519 14.822 16.675 1.00 0.00 H new ATOM 0 HA VAL A 4 40.415 12.929 15.916 1.00 0.00 H new ATOM 0 HB VAL A 4 37.504 12.023 15.960 1.00 0.00 H new ATOM 0 HG11 VAL A 4 38.446 9.726 15.996 1.00 0.00 H new ATOM 0 HG12 VAL A 4 38.889 10.574 14.496 1.00 0.00 H new ATOM 0 HG13 VAL A 4 40.083 10.395 15.803 1.00 0.00 H new ATOM 0 HG21 VAL A 4 38.175 11.005 18.123 1.00 0.00 H new ATOM 0 HG22 VAL A 4 39.813 11.674 17.929 1.00 0.00 H new ATOM 0 HG23 VAL A 4 38.424 12.767 18.142 1.00 0.00 H new ATOM 51 N SER A 5 38.135 12.763 13.524 1.00 0.00 N ATOM 52 CA SER A 5 37.967 12.683 12.076 1.00 0.00 C ATOM 53 C SER A 5 38.605 11.402 11.532 1.00 0.00 C ATOM 54 O SER A 5 39.719 11.431 11.010 1.00 0.00 O ATOM 55 CB SER A 5 38.604 13.909 11.406 1.00 0.00 C ATOM 56 OG SER A 5 38.391 15.051 12.223 1.00 0.00 O ATOM 0 H SER A 5 37.273 12.652 14.057 1.00 0.00 H new ATOM 0 HA SER A 5 36.901 12.664 11.851 1.00 0.00 H new ATOM 0 HB2 SER A 5 39.672 13.745 11.261 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.168 14.067 10.419 1.00 0.00 H new ATOM 0 HG SER A 5 38.797 15.836 11.800 1.00 0.00 H new ATOM 62 N PRO A 6 37.930 10.283 11.646 1.00 0.00 N ATOM 63 CA PRO A 6 38.465 8.981 11.157 1.00 0.00 C ATOM 64 C PRO A 6 38.308 8.830 9.642 1.00 0.00 C ATOM 65 O PRO A 6 38.376 7.723 9.108 1.00 0.00 O ATOM 66 CB PRO A 6 37.627 7.947 11.919 1.00 0.00 C ATOM 67 CG PRO A 6 36.310 8.618 12.162 1.00 0.00 C ATOM 68 CD PRO A 6 36.591 10.128 12.249 1.00 0.00 C ATOM 0 HA PRO A 6 39.536 8.874 11.332 1.00 0.00 H new ATOM 0 HB2 PRO A 6 37.503 7.034 11.337 1.00 0.00 H new ATOM 0 HB3 PRO A 6 38.105 7.665 12.857 1.00 0.00 H new ATOM 0 HG2 PRO A 6 35.610 8.401 11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 6 35.855 8.255 13.084 1.00 0.00 H new ATOM 0 HD2 PRO A 6 35.841 10.704 11.707 1.00 0.00 H new ATOM 0 HD3 PRO A 6 36.576 10.477 13.282 1.00 0.00 H new ATOM 76 N GLY A 7 38.095 9.953 8.960 1.00 0.00 N ATOM 77 CA GLY A 7 37.925 9.937 7.510 1.00 0.00 C ATOM 78 C GLY A 7 39.223 9.553 6.803 1.00 0.00 C ATOM 79 O GLY A 7 39.239 8.650 5.965 1.00 0.00 O ATOM 0 H GLY A 7 38.036 10.879 9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.140 9.230 7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.600 10.920 7.169 1.00 0.00 H new ATOM 83 N VAL A 8 40.312 10.238 7.145 1.00 0.00 N ATOM 84 CA VAL A 8 41.599 9.944 6.526 1.00 0.00 C ATOM 85 C VAL A 8 41.938 8.470 6.712 1.00 0.00 C ATOM 86 O VAL A 8 42.438 7.819 5.799 1.00 0.00 O ATOM 87 CB VAL A 8 42.695 10.822 7.138 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.830 10.523 8.634 1.00 0.00 C ATOM 89 CG2 VAL A 8 44.025 10.536 6.434 1.00 0.00 C ATOM 0 H VAL A 8 40.329 10.988 7.836 1.00 0.00 H new ATOM 0 HA VAL A 8 41.537 10.161 5.460 1.00 0.00 H new ATOM 0 HB VAL A 8 42.430 11.871 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 8 43.611 11.151 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.884 10.730 9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 8 43.091 9.474 8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.807 11.159 6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 8 44.286 9.485 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.930 10.760 5.371 1.00 0.00 H new ATOM 99 N LEU A 9 41.634 7.947 7.896 1.00 0.00 N ATOM 100 CA LEU A 9 41.882 6.538 8.194 1.00 0.00 C ATOM 101 C LEU A 9 41.240 5.664 7.105 1.00 0.00 C ATOM 102 O LEU A 9 41.891 4.788 6.524 1.00 0.00 O ATOM 103 CB LEU A 9 41.271 6.207 9.575 1.00 0.00 C ATOM 104 CG LEU A 9 42.329 6.279 10.698 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.388 5.159 10.532 1.00 0.00 C ATOM 106 CD2 LEU A 9 43.006 7.660 10.687 1.00 0.00 C ATOM 0 H LEU A 9 41.217 8.474 8.663 1.00 0.00 H new ATOM 0 HA LEU A 9 42.954 6.340 8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.462 6.904 9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.834 5.209 9.550 1.00 0.00 H new ATOM 0 HG LEU A 9 41.830 6.132 11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.122 5.231 11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.898 4.186 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.889 5.272 9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.751 7.706 11.481 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.491 7.820 9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.256 8.434 10.848 1.00 0.00 H new ATOM 118 N ALA A 10 39.966 5.922 6.819 1.00 0.00 N ATOM 119 CA ALA A 10 39.263 5.166 5.788 1.00 0.00 C ATOM 120 C ALA A 10 40.022 5.294 4.474 1.00 0.00 C ATOM 121 O ALA A 10 40.156 4.343 3.701 1.00 0.00 O ATOM 122 CB ALA A 10 37.843 5.709 5.616 1.00 0.00 C ATOM 0 H ALA A 10 39.406 6.639 7.280 1.00 0.00 H new ATOM 0 HA ALA A 10 39.206 4.118 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.326 5.138 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.302 5.618 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.888 6.758 5.323 1.00 0.00 H new ATOM 128 N GLY A 11 40.534 6.487 4.240 1.00 0.00 N ATOM 129 CA GLY A 11 41.295 6.749 3.028 1.00 0.00 C ATOM 130 C GLY A 11 42.522 5.850 2.968 1.00 0.00 C ATOM 131 O GLY A 11 42.930 5.401 1.893 1.00 0.00 O ATOM 0 H GLY A 11 40.439 7.286 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.668 6.578 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.601 7.795 3.002 1.00 0.00 H new ATOM 135 N ILE A 12 43.112 5.588 4.130 1.00 0.00 N ATOM 136 CA ILE A 12 44.292 4.746 4.187 1.00 0.00 C ATOM 137 C ILE A 12 43.949 3.307 3.814 1.00 0.00 C ATOM 138 O ILE A 12 44.692 2.678 3.068 1.00 0.00 O ATOM 139 CB ILE A 12 44.931 4.785 5.579 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.420 6.212 5.910 1.00 0.00 C ATOM 141 CG2 ILE A 12 46.112 3.807 5.627 1.00 0.00 C ATOM 142 CD1 ILE A 12 46.413 6.725 4.853 1.00 0.00 C ATOM 0 H ILE A 12 42.794 5.943 5.032 1.00 0.00 H new ATOM 0 HA ILE A 12 45.010 5.136 3.465 1.00 0.00 H new ATOM 0 HB ILE A 12 44.185 4.494 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.566 6.887 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.896 6.217 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.567 3.834 6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.757 2.798 5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.852 4.093 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 12 46.737 7.732 5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 12 47.278 6.063 4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.928 6.744 3.877 1.00 0.00 H new ATOM 154 N VAL A 13 42.832 2.777 4.319 1.00 0.00 N ATOM 155 CA VAL A 13 42.477 1.397 3.970 1.00 0.00 C ATOM 156 C VAL A 13 42.372 1.293 2.452 1.00 0.00 C ATOM 157 O VAL A 13 42.871 0.343 1.844 1.00 0.00 O ATOM 158 CB VAL A 13 41.169 0.914 4.662 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.977 1.636 5.994 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.934 1.147 3.776 1.00 0.00 C ATOM 0 H VAL A 13 42.183 3.256 4.943 1.00 0.00 H new ATOM 0 HA VAL A 13 43.262 0.736 4.338 1.00 0.00 H new ATOM 0 HB VAL A 13 41.271 -0.158 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 13 40.059 1.289 6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.824 1.426 6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.911 2.710 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.042 0.796 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.835 2.211 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.048 0.599 2.841 1.00 0.00 H new ATOM 170 N VAL A 14 41.751 2.293 1.835 1.00 0.00 N ATOM 171 CA VAL A 14 41.641 2.288 0.387 1.00 0.00 C ATOM 172 C VAL A 14 43.041 2.175 -0.204 1.00 0.00 C ATOM 173 O VAL A 14 43.283 1.406 -1.138 1.00 0.00 O ATOM 174 CB VAL A 14 40.966 3.570 -0.099 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.935 3.582 -1.628 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.534 3.624 0.440 1.00 0.00 C ATOM 0 H VAL A 14 41.328 3.095 2.302 1.00 0.00 H new ATOM 0 HA VAL A 14 41.033 1.442 0.066 1.00 0.00 H new ATOM 0 HB VAL A 14 41.524 4.435 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.454 4.496 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.954 3.540 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.375 2.718 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.050 4.538 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.977 2.759 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.555 3.614 1.530 1.00 0.00 H new ATOM 186 N GLY A 15 43.968 2.936 0.371 1.00 0.00 N ATOM 187 CA GLY A 15 45.354 2.911 -0.077 1.00 0.00 C ATOM 188 C GLY A 15 45.962 1.524 0.120 1.00 0.00 C ATOM 189 O GLY A 15 46.839 1.108 -0.635 1.00 0.00 O ATOM 0 H GLY A 15 43.784 3.575 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.406 3.190 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.934 3.649 0.477 1.00 0.00 H new ATOM 193 N ASP A 16 45.489 0.807 1.140 1.00 0.00 N ATOM 194 CA ASP A 16 45.995 -0.534 1.414 1.00 0.00 C ATOM 195 C ASP A 16 45.690 -1.445 0.236 1.00 0.00 C ATOM 196 O ASP A 16 46.568 -2.153 -0.259 1.00 0.00 O ATOM 197 CB ASP A 16 45.350 -1.107 2.680 1.00 0.00 C ATOM 198 CG ASP A 16 46.083 -2.372 3.111 1.00 0.00 C ATOM 199 OD1 ASP A 16 47.276 -2.292 3.346 1.00 0.00 O ATOM 200 OD2 ASP A 16 45.439 -3.404 3.199 1.00 0.00 O ATOM 0 H ASP A 16 44.765 1.129 1.782 1.00 0.00 H new ATOM 0 HA ASP A 16 47.073 -0.474 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.381 -0.368 3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.300 -1.331 2.494 1.00 0.00 H new ATOM 205 N LEU A 17 44.444 -1.408 -0.222 1.00 0.00 N ATOM 206 CA LEU A 17 44.049 -2.226 -1.361 1.00 0.00 C ATOM 207 C LEU A 17 44.889 -1.836 -2.574 1.00 0.00 C ATOM 208 O LEU A 17 45.318 -2.692 -3.350 1.00 0.00 O ATOM 209 CB LEU A 17 42.553 -2.028 -1.665 1.00 0.00 C ATOM 210 CG LEU A 17 41.705 -2.923 -0.752 1.00 0.00 C ATOM 211 CD1 LEU A 17 41.906 -2.512 0.707 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.228 -2.772 -1.122 1.00 0.00 C ATOM 0 H LEU A 17 43.701 -0.830 0.171 1.00 0.00 H new ATOM 0 HA LEU A 17 44.216 -3.277 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.280 -0.983 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.352 -2.267 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 17 42.012 -3.961 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.302 -3.150 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.958 -2.619 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.602 -1.473 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.624 -3.407 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.926 -1.732 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.081 -3.069 -2.161 1.00 0.00 H new ATOM 224 N VAL A 18 45.125 -0.535 -2.722 1.00 0.00 N ATOM 225 CA VAL A 18 45.921 -0.033 -3.836 1.00 0.00 C ATOM 226 C VAL A 18 47.337 -0.611 -3.794 1.00 0.00 C ATOM 227 O VAL A 18 47.898 -0.963 -4.828 1.00 0.00 O ATOM 228 CB VAL A 18 45.981 1.497 -3.787 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.924 2.011 -4.877 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.579 2.066 -4.019 1.00 0.00 C ATOM 0 H VAL A 18 44.779 0.186 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 18 45.448 -0.346 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 18 46.350 1.814 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.964 3.100 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.923 1.605 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.558 1.695 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.618 3.155 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.214 1.746 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.906 1.702 -3.243 1.00 0.00 H new ATOM 240 N LEU A 19 47.910 -0.698 -2.597 1.00 0.00 N ATOM 241 CA LEU A 19 49.265 -1.232 -2.441 1.00 0.00 C ATOM 242 C LEU A 19 49.321 -2.705 -2.845 1.00 0.00 C ATOM 243 O LEU A 19 50.250 -3.136 -3.524 1.00 0.00 O ATOM 244 CB LEU A 19 49.717 -1.098 -0.977 1.00 0.00 C ATOM 245 CG LEU A 19 50.147 0.350 -0.673 1.00 0.00 C ATOM 246 CD1 LEU A 19 50.093 0.589 0.842 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.583 0.602 -1.168 1.00 0.00 C ATOM 0 H LEU A 19 47.464 -0.409 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 19 49.929 -0.660 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 19 48.904 -1.389 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.547 -1.778 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 19 49.468 1.031 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.397 1.613 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.076 0.428 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.768 -0.104 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.870 1.630 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.266 -0.083 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.631 0.438 -2.244 1.00 0.00 H new ATOM 259 N THR A 20 48.336 -3.474 -2.400 1.00 0.00 N ATOM 260 CA THR A 20 48.304 -4.900 -2.700 1.00 0.00 C ATOM 261 C THR A 20 48.260 -5.159 -4.201 1.00 0.00 C ATOM 262 O THR A 20 49.058 -5.932 -4.727 1.00 0.00 O ATOM 263 CB THR A 20 47.078 -5.539 -2.042 1.00 0.00 C ATOM 264 OG1 THR A 20 46.961 -5.069 -0.707 1.00 0.00 O ATOM 265 CG2 THR A 20 47.233 -7.062 -2.037 1.00 0.00 C ATOM 0 H THR A 20 47.555 -3.139 -1.835 1.00 0.00 H new ATOM 0 HA THR A 20 49.218 -5.343 -2.304 1.00 0.00 H new ATOM 0 HB THR A 20 46.183 -5.270 -2.603 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.568 -5.770 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.359 -7.515 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.323 -7.422 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.128 -7.335 -1.477 1.00 0.00 H new ATOM 273 N VAL A 21 47.312 -4.528 -4.883 1.00 0.00 N ATOM 274 CA VAL A 21 47.163 -4.723 -6.323 1.00 0.00 C ATOM 275 C VAL A 21 48.281 -4.048 -7.115 1.00 0.00 C ATOM 276 O VAL A 21 48.613 -4.480 -8.218 1.00 0.00 O ATOM 277 CB VAL A 21 45.812 -4.172 -6.778 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.657 -4.367 -8.287 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.690 -4.914 -6.050 1.00 0.00 C ATOM 0 H VAL A 21 46.640 -3.882 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 21 47.220 -5.794 -6.517 1.00 0.00 H new ATOM 0 HB VAL A 21 45.758 -3.108 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.693 -3.973 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.456 -3.838 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.712 -5.429 -8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.725 -4.522 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.746 -5.977 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.798 -4.772 -4.975 1.00 0.00 H new ATOM 289 N LEU A 22 48.845 -2.981 -6.566 1.00 0.00 N ATOM 290 CA LEU A 22 49.905 -2.256 -7.261 1.00 0.00 C ATOM 291 C LEU A 22 51.190 -3.077 -7.333 1.00 0.00 C ATOM 292 O LEU A 22 51.720 -3.319 -8.420 1.00 0.00 O ATOM 293 CB LEU A 22 50.172 -0.922 -6.548 1.00 0.00 C ATOM 294 CG LEU A 22 51.381 -0.206 -7.169 1.00 0.00 C ATOM 295 CD1 LEU A 22 51.191 -0.062 -8.684 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.511 1.184 -6.537 1.00 0.00 C ATOM 0 H LEU A 22 48.592 -2.600 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 22 49.574 -2.066 -8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.291 -0.284 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.354 -1.101 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 22 52.282 -0.790 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.055 0.447 -9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 22 51.092 -1.050 -9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 22 50.291 0.519 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.367 1.702 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.604 1.757 -6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.655 1.083 -5.461 1.00 0.00 H new ATOM 308 N ILE A 23 51.695 -3.504 -6.182 1.00 0.00 N ATOM 309 CA ILE A 23 52.918 -4.283 -6.163 1.00 0.00 C ATOM 310 C ILE A 23 52.652 -5.667 -6.751 1.00 0.00 C ATOM 311 O ILE A 23 53.468 -6.198 -7.504 1.00 0.00 O ATOM 312 CB ILE A 23 53.461 -4.426 -4.732 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.380 -3.081 -3.961 1.00 0.00 C ATOM 314 CG2 ILE A 23 54.921 -4.910 -4.798 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.519 -2.133 -4.354 1.00 0.00 C ATOM 0 H ILE A 23 51.282 -3.326 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 23 53.665 -3.763 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 23 52.850 -5.152 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.422 -2.602 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.420 -3.273 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.316 -5.015 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 23 54.962 -5.874 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.520 -4.185 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.428 -1.203 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.477 -2.601 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.463 -1.920 -5.422 1.00 0.00 H new ATOM 327 N ALA A 24 51.500 -6.246 -6.405 1.00 0.00 N ATOM 328 CA ALA A 24 51.145 -7.566 -6.913 1.00 0.00 C ATOM 329 C ALA A 24 51.103 -7.549 -8.435 1.00 0.00 C ATOM 330 O ALA A 24 51.538 -8.497 -9.089 1.00 0.00 O ATOM 331 CB ALA A 24 49.783 -7.999 -6.368 1.00 0.00 C ATOM 0 H ALA A 24 50.808 -5.826 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 24 51.902 -8.277 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.533 -8.986 -6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 24 49.822 -8.037 -5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.022 -7.283 -6.679 1.00 0.00 H new ATOM 337 N LEU A 25 50.588 -6.462 -8.999 1.00 0.00 N ATOM 338 CA LEU A 25 50.516 -6.342 -10.446 1.00 0.00 C ATOM 339 C LEU A 25 51.922 -6.182 -11.011 1.00 0.00 C ATOM 340 O LEU A 25 52.227 -6.679 -12.095 1.00 0.00 O ATOM 341 CB LEU A 25 49.645 -5.139 -10.833 1.00 0.00 C ATOM 342 CG LEU A 25 49.654 -4.934 -12.357 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.228 -6.226 -13.072 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.677 -3.808 -12.712 1.00 0.00 C ATOM 0 H LEU A 25 50.220 -5.663 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 25 50.064 -7.242 -10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.623 -5.297 -10.488 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.014 -4.241 -10.337 1.00 0.00 H new ATOM 0 HG LEU A 25 50.662 -4.672 -12.679 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.239 -6.066 -14.150 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.921 -7.028 -12.817 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.222 -6.502 -12.756 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.676 -3.654 -13.791 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.674 -4.079 -12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.986 -2.888 -12.215 1.00 0.00 H new ATOM 356 N ALA A 26 52.772 -5.481 -10.266 1.00 0.00 N ATOM 357 CA ALA A 26 54.145 -5.256 -10.700 1.00 0.00 C ATOM 358 C ALA A 26 54.916 -6.573 -10.803 1.00 0.00 C ATOM 359 O ALA A 26 55.473 -6.892 -11.856 1.00 0.00 O ATOM 360 CB ALA A 26 54.856 -4.331 -9.710 1.00 0.00 C ATOM 0 H ALA A 26 52.536 -5.062 -9.366 1.00 0.00 H new ATOM 0 HA ALA A 26 54.115 -4.794 -11.687 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.882 -4.166 -10.039 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.332 -3.376 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.861 -4.791 -8.722 1.00 0.00 H new ATOM 366 N VAL A 27 54.960 -7.333 -9.707 1.00 0.00 N ATOM 367 CA VAL A 27 55.688 -8.600 -9.707 1.00 0.00 C ATOM 368 C VAL A 27 55.053 -9.615 -10.653 1.00 0.00 C ATOM 369 O VAL A 27 55.755 -10.315 -11.381 1.00 0.00 O ATOM 370 CB VAL A 27 55.738 -9.178 -8.291 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.237 -8.105 -7.324 1.00 0.00 C ATOM 372 CG2 VAL A 27 54.341 -9.638 -7.868 1.00 0.00 C ATOM 0 H VAL A 27 54.508 -7.098 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 27 56.700 -8.398 -10.058 1.00 0.00 H new ATOM 0 HB VAL A 27 56.416 -10.031 -8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.274 -8.514 -6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.235 -7.783 -7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.559 -7.252 -7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.383 -10.049 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 27 53.657 -8.789 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 27 53.986 -10.404 -8.557 1.00 0.00 H new ATOM 382 N TYR A 28 53.729 -9.703 -10.632 1.00 0.00 N ATOM 383 CA TYR A 28 53.032 -10.655 -11.489 1.00 0.00 C ATOM 384 C TYR A 28 53.305 -10.365 -12.961 1.00 0.00 C ATOM 385 O TYR A 28 53.572 -11.280 -13.741 1.00 0.00 O ATOM 386 CB TYR A 28 51.526 -10.595 -11.229 1.00 0.00 C ATOM 387 CG TYR A 28 50.828 -11.582 -12.135 1.00 0.00 C ATOM 388 CD1 TYR A 28 50.839 -12.946 -11.821 1.00 0.00 C ATOM 389 CD2 TYR A 28 50.171 -11.136 -13.289 1.00 0.00 C ATOM 390 CE1 TYR A 28 50.195 -13.864 -12.660 1.00 0.00 C ATOM 391 CE2 TYR A 28 49.528 -12.053 -14.128 1.00 0.00 C ATOM 392 CZ TYR A 28 49.539 -13.417 -13.813 1.00 0.00 C ATOM 393 OH TYR A 28 48.906 -14.321 -14.640 1.00 0.00 O ATOM 0 H TYR A 28 53.123 -9.135 -10.040 1.00 0.00 H new ATOM 0 HA TYR A 28 53.403 -11.653 -11.254 1.00 0.00 H new ATOM 0 HB2 TYR A 28 51.315 -10.828 -10.185 1.00 0.00 H new ATOM 0 HB3 TYR A 28 51.153 -9.587 -11.412 1.00 0.00 H new ATOM 0 HD1 TYR A 28 51.344 -13.291 -10.931 1.00 0.00 H new ATOM 0 HD2 TYR A 28 50.161 -10.084 -13.531 1.00 0.00 H new ATOM 0 HE1 TYR A 28 50.204 -14.916 -12.418 1.00 0.00 H new ATOM 0 HE2 TYR A 28 49.023 -11.708 -15.018 1.00 0.00 H new ATOM 0 HH TYR A 28 48.500 -13.845 -15.394 1.00 0.00 H new ATOM 403 N PHE A 29 53.224 -9.095 -13.339 1.00 0.00 N ATOM 404 CA PHE A 29 53.454 -8.710 -14.726 1.00 0.00 C ATOM 405 C PHE A 29 54.868 -9.072 -15.172 1.00 0.00 C ATOM 406 O PHE A 29 55.049 -9.739 -16.190 1.00 0.00 O ATOM 407 CB PHE A 29 53.236 -7.207 -14.896 1.00 0.00 C ATOM 408 CG PHE A 29 53.301 -6.855 -16.362 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.161 -6.987 -17.165 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.501 -6.398 -16.921 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.220 -6.661 -18.526 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.561 -6.074 -18.283 1.00 0.00 C ATOM 413 CZ PHE A 29 53.421 -6.206 -19.084 1.00 0.00 C ATOM 0 H PHE A 29 53.003 -8.321 -12.712 1.00 0.00 H new ATOM 0 HA PHE A 29 52.744 -9.257 -15.347 1.00 0.00 H new ATOM 0 HB2 PHE A 29 52.269 -6.920 -14.484 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.995 -6.653 -14.343 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.236 -7.340 -16.734 1.00 0.00 H new ATOM 0 HD2 PHE A 29 55.380 -6.295 -16.302 1.00 0.00 H new ATOM 0 HE1 PHE A 29 51.340 -6.760 -19.144 1.00 0.00 H new ATOM 0 HE2 PHE A 29 55.487 -5.723 -18.714 1.00 0.00 H new ATOM 0 HZ PHE A 29 53.468 -5.957 -20.134 1.00 0.00 H new ATOM 423 N LEU A 30 55.865 -8.633 -14.407 1.00 0.00 N ATOM 424 CA LEU A 30 57.258 -8.923 -14.745 1.00 0.00 C ATOM 425 C LEU A 30 58.189 -8.436 -13.639 1.00 0.00 C ATOM 426 O LEU A 30 58.826 -7.390 -13.768 1.00 0.00 O ATOM 427 CB LEU A 30 57.630 -8.237 -16.068 1.00 0.00 C ATOM 428 CG LEU A 30 59.058 -8.618 -16.491 1.00 0.00 C ATOM 429 CD1 LEU A 30 59.149 -10.130 -16.771 1.00 0.00 C ATOM 430 CD2 LEU A 30 59.420 -7.836 -17.760 1.00 0.00 C ATOM 0 H LEU A 30 55.738 -8.081 -13.558 1.00 0.00 H new ATOM 0 HA LEU A 30 57.370 -10.002 -14.851 1.00 0.00 H new ATOM 0 HB2 LEU A 30 56.924 -8.528 -16.846 1.00 0.00 H new ATOM 0 HB3 LEU A 30 57.554 -7.155 -15.957 1.00 0.00 H new ATOM 0 HG LEU A 30 59.752 -8.373 -15.687 1.00 0.00 H new ATOM 0 HD11 LEU A 30 60.166 -10.384 -17.069 1.00 0.00 H new ATOM 0 HD12 LEU A 30 58.886 -10.683 -15.869 1.00 0.00 H new ATOM 0 HD13 LEU A 30 58.459 -10.394 -17.573 1.00 0.00 H new ATOM 0 HD21 LEU A 30 60.431 -8.097 -18.072 1.00 0.00 H new ATOM 0 HD22 LEU A 30 58.719 -8.088 -18.555 1.00 0.00 H new ATOM 0 HD23 LEU A 30 59.367 -6.767 -17.556 1.00 0.00 H new ATOM 442 N GLY A 31 58.268 -9.199 -12.556 1.00 0.00 N ATOM 443 CA GLY A 31 59.132 -8.832 -11.440 1.00 0.00 C ATOM 444 C GLY A 31 60.584 -8.727 -11.896 1.00 0.00 C ATOM 445 O GLY A 31 61.255 -9.739 -12.099 1.00 0.00 O ATOM 0 H GLY A 31 57.750 -10.068 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 31 58.808 -7.880 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 31 59.047 -9.576 -10.648 1.00 0.00 H new ATOM 449 N ARG A 32 61.062 -7.498 -12.058 1.00 0.00 N ATOM 450 CA ARG A 32 62.436 -7.275 -12.495 1.00 0.00 C ATOM 451 C ARG A 32 63.404 -8.102 -11.653 1.00 0.00 C ATOM 452 O ARG A 32 63.842 -7.669 -10.588 1.00 0.00 O ATOM 453 CB ARG A 32 62.796 -5.791 -12.375 1.00 0.00 C ATOM 454 CG ARG A 32 61.715 -4.937 -13.045 1.00 0.00 C ATOM 455 CD ARG A 32 61.561 -5.351 -14.512 1.00 0.00 C ATOM 456 NE ARG A 32 62.863 -5.646 -15.096 1.00 0.00 N ATOM 457 CZ ARG A 32 63.701 -4.672 -15.438 1.00 0.00 C ATOM 458 NH1 ARG A 32 63.366 -3.426 -15.246 1.00 0.00 N ATOM 459 NH2 ARG A 32 64.859 -4.963 -15.965 1.00 0.00 N ATOM 0 H ARG A 32 60.524 -6.647 -11.895 1.00 0.00 H new ATOM 0 HA ARG A 32 62.517 -7.583 -13.538 1.00 0.00 H new ATOM 0 HB2 ARG A 32 62.891 -5.515 -11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 32 63.762 -5.603 -12.843 1.00 0.00 H new ATOM 0 HG2 ARG A 32 60.767 -5.059 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 32 61.981 -3.882 -12.981 1.00 0.00 H new ATOM 0 HD2 ARG A 32 60.916 -6.227 -14.583 1.00 0.00 H new ATOM 0 HD3 ARG A 32 61.076 -4.552 -15.073 1.00 0.00 H new ATOM 0 HE ARG A 32 63.136 -6.617 -15.245 1.00 0.00 H new ATOM 0 HH11 ARG A 32 62.461 -3.199 -14.833 1.00 0.00 H new ATOM 0 HH12 ARG A 32 64.009 -2.679 -15.508 1.00 0.00 H new ATOM 0 HH21 ARG A 32 65.121 -5.937 -16.114 1.00 0.00 H new ATOM 0 HH22 ARG A 32 65.502 -4.216 -16.227 1.00 0.00 H new ATOM 473 N LEU A 33 63.731 -9.296 -12.140 1.00 0.00 N ATOM 474 CA LEU A 33 64.646 -10.178 -11.424 1.00 0.00 C ATOM 475 C LEU A 33 64.267 -10.253 -9.948 1.00 0.00 C ATOM 476 CB LEU A 33 66.084 -9.662 -11.562 1.00 0.00 C ATOM 477 CG LEU A 33 67.084 -10.716 -11.047 1.00 0.00 C ATOM 478 CD1 LEU A 33 67.341 -11.787 -12.118 1.00 0.00 C ATOM 479 CD2 LEU A 33 68.411 -10.035 -10.697 1.00 0.00 C ATOM 0 H LEU A 33 63.379 -9.672 -13.020 1.00 0.00 H new ATOM 0 HA LEU A 33 64.577 -11.176 -11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 33 66.295 -9.430 -12.606 1.00 0.00 H new ATOM 0 HB3 LEU A 33 66.200 -8.735 -11.000 1.00 0.00 H new ATOM 0 HG LEU A 33 66.660 -11.191 -10.162 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.049 -12.522 -11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 33 66.403 -12.283 -12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 33 67.753 -11.317 -13.011 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.118 -10.781 -10.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.818 -9.553 -11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 33 68.243 -9.286 -9.923 1.00 0.00 H new TER 491 LEU A 33 ATOM 492 N CYS B 1 29.285 9.820 18.824 1.00 0.00 N ATOM 493 CA CYS B 1 29.994 10.856 18.020 1.00 0.00 C ATOM 494 C CYS B 1 31.259 10.253 17.421 1.00 0.00 C ATOM 495 O CYS B 1 32.366 10.520 17.887 1.00 0.00 O ATOM 496 CB CYS B 1 30.356 12.037 18.922 1.00 0.00 C ATOM 497 SG CYS B 1 31.155 11.424 20.426 1.00 0.00 S ATOM 0 H1 CYS B 1 28.259 9.977 18.765 1.00 0.00 H new ATOM 0 H2 CYS B 1 29.513 8.876 18.452 1.00 0.00 H new ATOM 0 H3 CYS B 1 29.588 9.883 19.817 1.00 0.00 H new ATOM 0 HA CYS B 1 29.347 11.204 17.215 1.00 0.00 H new ATOM 0 HB2 CYS B 1 31.023 12.720 18.395 1.00 0.00 H new ATOM 0 HB3 CYS B 1 29.459 12.601 19.178 1.00 0.00 H new ATOM 501 N SER B 2 31.087 9.437 16.386 1.00 0.00 N ATOM 502 CA SER B 2 32.224 8.800 15.728 1.00 0.00 C ATOM 503 C SER B 2 32.928 7.844 16.684 1.00 0.00 C ATOM 504 O SER B 2 33.881 7.165 16.305 1.00 0.00 O ATOM 505 CB SER B 2 33.213 9.862 15.245 1.00 0.00 C ATOM 506 OG SER B 2 34.099 10.196 16.306 1.00 0.00 O ATOM 0 H SER B 2 30.178 9.202 15.986 1.00 0.00 H new ATOM 0 HA SER B 2 31.854 8.235 14.873 1.00 0.00 H new ATOM 0 HB2 SER B 2 33.776 9.489 14.390 1.00 0.00 H new ATOM 0 HB3 SER B 2 32.676 10.750 14.911 1.00 0.00 H new ATOM 0 HG SER B 2 33.583 10.522 17.073 1.00 0.00 H new ATOM 512 N THR B 3 32.450 7.796 17.924 1.00 0.00 N ATOM 513 CA THR B 3 33.037 6.919 18.933 1.00 0.00 C ATOM 514 C THR B 3 34.452 7.371 19.286 1.00 0.00 C ATOM 515 O THR B 3 35.062 6.841 20.215 1.00 0.00 O ATOM 516 CB THR B 3 33.062 5.473 18.418 1.00 0.00 C ATOM 517 OG1 THR B 3 31.865 5.209 17.701 1.00 0.00 O ATOM 518 CG2 THR B 3 33.176 4.501 19.596 1.00 0.00 C ATOM 0 H THR B 3 31.661 8.352 18.254 1.00 0.00 H new ATOM 0 HA THR B 3 32.425 6.970 19.833 1.00 0.00 H new ATOM 0 HB THR B 3 33.922 5.340 17.761 1.00 0.00 H new ATOM 0 HG1 THR B 3 31.879 4.287 17.369 1.00 0.00 H new ATOM 0 HG21 THR B 3 33.193 3.477 19.223 1.00 0.00 H new ATOM 0 HG22 THR B 3 34.095 4.702 20.146 1.00 0.00 H new ATOM 0 HG23 THR B 3 32.321 4.631 20.259 1.00 0.00 H new ATOM 526 N VAL B 4 34.959 8.356 18.538 1.00 0.00 N ATOM 527 CA VAL B 4 36.305 8.896 18.761 1.00 0.00 C ATOM 528 C VAL B 4 37.262 7.833 19.300 1.00 0.00 C ATOM 529 O VAL B 4 37.966 8.060 20.284 1.00 0.00 O ATOM 530 CB VAL B 4 36.244 10.074 19.740 1.00 0.00 C ATOM 531 CG1 VAL B 4 35.595 11.277 19.053 1.00 0.00 C ATOM 532 CG2 VAL B 4 35.416 9.683 20.967 1.00 0.00 C ATOM 0 H VAL B 4 34.455 8.798 17.769 1.00 0.00 H new ATOM 0 HA VAL B 4 36.685 9.235 17.797 1.00 0.00 H new ATOM 0 HB VAL B 4 37.255 10.334 20.053 1.00 0.00 H new ATOM 0 HG11 VAL B 4 35.552 12.114 19.750 1.00 0.00 H new ATOM 0 HG12 VAL B 4 36.185 11.560 18.181 1.00 0.00 H new ATOM 0 HG13 VAL B 4 34.585 11.015 18.738 1.00 0.00 H new ATOM 0 HG21 VAL B 4 35.375 10.523 21.661 1.00 0.00 H new ATOM 0 HG22 VAL B 4 34.405 9.420 20.655 1.00 0.00 H new ATOM 0 HG23 VAL B 4 35.878 8.827 21.460 1.00 0.00 H new ATOM 542 N SER B 5 37.282 6.675 18.647 1.00 0.00 N ATOM 543 CA SER B 5 38.156 5.583 19.068 1.00 0.00 C ATOM 544 C SER B 5 38.434 4.637 17.902 1.00 0.00 C ATOM 545 O SER B 5 38.186 3.435 17.994 1.00 0.00 O ATOM 546 CB SER B 5 37.507 4.807 20.215 1.00 0.00 C ATOM 547 OG SER B 5 37.283 5.686 21.310 1.00 0.00 O ATOM 0 H SER B 5 36.708 6.468 17.830 1.00 0.00 H new ATOM 0 HA SER B 5 39.100 6.009 19.407 1.00 0.00 H new ATOM 0 HB2 SER B 5 36.564 4.370 19.886 1.00 0.00 H new ATOM 0 HB3 SER B 5 38.151 3.983 20.522 1.00 0.00 H new ATOM 0 HG SER B 5 36.431 6.154 21.185 1.00 0.00 H new ATOM 553 N PRO B 6 38.943 5.158 16.815 1.00 0.00 N ATOM 554 CA PRO B 6 39.265 4.347 15.601 1.00 0.00 C ATOM 555 C PRO B 6 40.468 3.427 15.832 1.00 0.00 C ATOM 556 O PRO B 6 41.538 3.630 15.257 1.00 0.00 O ATOM 557 CB PRO B 6 39.564 5.411 14.532 1.00 0.00 C ATOM 558 CG PRO B 6 40.036 6.604 15.301 1.00 0.00 C ATOM 559 CD PRO B 6 39.269 6.583 16.625 1.00 0.00 C ATOM 0 HA PRO B 6 38.455 3.675 15.317 1.00 0.00 H new ATOM 0 HB2 PRO B 6 40.325 5.065 13.832 1.00 0.00 H new ATOM 0 HB3 PRO B 6 38.675 5.644 13.947 1.00 0.00 H new ATOM 0 HG2 PRO B 6 41.111 6.557 15.472 1.00 0.00 H new ATOM 0 HG3 PRO B 6 39.841 7.525 14.751 1.00 0.00 H new ATOM 0 HD2 PRO B 6 39.875 6.968 17.445 1.00 0.00 H new ATOM 0 HD3 PRO B 6 38.370 7.197 16.577 1.00 0.00 H new ATOM 567 N GLY B 7 40.281 2.422 16.680 1.00 0.00 N ATOM 568 CA GLY B 7 41.354 1.482 16.983 1.00 0.00 C ATOM 569 C GLY B 7 41.631 0.550 15.806 1.00 0.00 C ATOM 570 O GLY B 7 42.771 0.423 15.354 1.00 0.00 O ATOM 0 H GLY B 7 39.404 2.238 17.167 1.00 0.00 H new ATOM 0 HA2 GLY B 7 42.261 2.032 17.234 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.086 0.893 17.860 1.00 0.00 H new ATOM 574 N VAL B 8 40.584 -0.103 15.309 1.00 0.00 N ATOM 575 CA VAL B 8 40.746 -1.020 14.188 1.00 0.00 C ATOM 576 C VAL B 8 41.352 -0.294 12.991 1.00 0.00 C ATOM 577 O VAL B 8 42.316 -0.771 12.392 1.00 0.00 O ATOM 578 CB VAL B 8 39.397 -1.635 13.803 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.394 -0.526 13.473 1.00 0.00 C ATOM 580 CG2 VAL B 8 39.584 -2.537 12.579 1.00 0.00 C ATOM 0 H VAL B 8 39.630 -0.016 15.659 1.00 0.00 H new ATOM 0 HA VAL B 8 41.422 -1.820 14.491 1.00 0.00 H new ATOM 0 HB VAL B 8 39.016 -2.223 14.638 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.437 -0.970 13.200 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.261 0.115 14.344 1.00 0.00 H new ATOM 0 HG13 VAL B 8 38.769 0.068 12.639 1.00 0.00 H new ATOM 0 HG21 VAL B 8 38.626 -2.977 12.301 1.00 0.00 H new ATOM 0 HG22 VAL B 8 39.967 -1.946 11.747 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.292 -3.331 12.817 1.00 0.00 H new ATOM 590 N LEU B 9 40.798 0.868 12.657 1.00 0.00 N ATOM 591 CA LEU B 9 41.313 1.651 11.537 1.00 0.00 C ATOM 592 C LEU B 9 42.830 1.828 11.690 1.00 0.00 C ATOM 593 O LEU B 9 43.590 1.618 10.739 1.00 0.00 O ATOM 594 CB LEU B 9 40.600 3.026 11.496 1.00 0.00 C ATOM 595 CG LEU B 9 39.501 3.068 10.408 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.097 2.819 8.999 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.428 2.017 10.727 1.00 0.00 C ATOM 0 H LEU B 9 40.002 1.285 13.139 1.00 0.00 H new ATOM 0 HA LEU B 9 41.117 1.130 10.600 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.157 3.235 12.470 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.332 3.810 11.304 1.00 0.00 H new ATOM 0 HG LEU B 9 39.050 4.060 10.406 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.301 2.855 8.256 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.836 3.588 8.776 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.574 1.839 8.974 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.652 2.045 9.962 1.00 0.00 H new ATOM 0 HD22 LEU B 9 38.883 1.027 10.747 1.00 0.00 H new ATOM 0 HD23 LEU B 9 37.986 2.232 11.700 1.00 0.00 H new ATOM 609 N ALA B 10 43.265 2.196 12.895 1.00 0.00 N ATOM 610 CA ALA B 10 44.690 2.373 13.156 1.00 0.00 C ATOM 611 C ALA B 10 45.413 1.049 12.931 1.00 0.00 C ATOM 612 O ALA B 10 46.584 1.004 12.545 1.00 0.00 O ATOM 613 CB ALA B 10 44.911 2.844 14.594 1.00 0.00 C ATOM 0 H ALA B 10 42.659 2.375 13.695 1.00 0.00 H new ATOM 0 HA ALA B 10 45.086 3.127 12.476 1.00 0.00 H new ATOM 0 HB1 ALA B 10 45.978 2.972 14.775 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.400 3.795 14.748 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.512 2.102 15.285 1.00 0.00 H new ATOM 619 N GLY B 11 44.700 -0.035 13.163 1.00 0.00 N ATOM 620 CA GLY B 11 45.279 -1.351 12.964 1.00 0.00 C ATOM 621 C GLY B 11 45.535 -1.583 11.481 1.00 0.00 C ATOM 622 O GLY B 11 46.519 -2.223 11.095 1.00 0.00 O ATOM 0 H GLY B 11 43.732 -0.034 13.485 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.212 -1.436 13.521 1.00 0.00 H new ATOM 0 HA3 GLY B 11 44.606 -2.117 13.350 1.00 0.00 H new ATOM 626 N ILE B 12 44.640 -1.058 10.647 1.00 0.00 N ATOM 627 CA ILE B 12 44.778 -1.221 9.210 1.00 0.00 C ATOM 628 C ILE B 12 45.954 -0.403 8.670 1.00 0.00 C ATOM 629 O ILE B 12 46.725 -0.918 7.870 1.00 0.00 O ATOM 630 CB ILE B 12 43.462 -0.845 8.486 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.448 -2.009 8.577 1.00 0.00 C ATOM 632 CG2 ILE B 12 43.741 -0.545 7.000 1.00 0.00 C ATOM 633 CD1 ILE B 12 41.868 -2.102 9.988 1.00 0.00 C ATOM 0 H ILE B 12 43.823 -0.523 10.941 1.00 0.00 H new ATOM 0 HA ILE B 12 44.987 -2.272 9.010 1.00 0.00 H new ATOM 0 HB ILE B 12 43.048 0.040 8.969 1.00 0.00 H new ATOM 0 HG12 ILE B 12 41.645 -1.857 7.856 1.00 0.00 H new ATOM 0 HG13 ILE B 12 42.937 -2.947 8.316 1.00 0.00 H new ATOM 0 HG21 ILE B 12 42.809 -0.282 6.501 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.442 0.286 6.922 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.170 -1.427 6.525 1.00 0.00 H new ATOM 0 HD11 ILE B 12 41.156 -2.926 10.035 1.00 0.00 H new ATOM 0 HD12 ILE B 12 42.673 -2.277 10.702 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.360 -1.170 10.235 1.00 0.00 H new ATOM 645 N VAL B 13 46.107 0.861 9.082 1.00 0.00 N ATOM 646 CA VAL B 13 47.234 1.636 8.558 1.00 0.00 C ATOM 647 C VAL B 13 48.541 0.962 8.946 1.00 0.00 C ATOM 648 O VAL B 13 49.460 0.863 8.135 1.00 0.00 O ATOM 649 CB VAL B 13 47.220 3.106 9.017 1.00 0.00 C ATOM 650 CG1 VAL B 13 45.799 3.682 8.892 1.00 0.00 C ATOM 651 CG2 VAL B 13 47.706 3.229 10.463 1.00 0.00 C ATOM 0 H VAL B 13 45.500 1.348 9.741 1.00 0.00 H new ATOM 0 HA VAL B 13 47.138 1.657 7.472 1.00 0.00 H new ATOM 0 HB VAL B 13 47.896 3.672 8.376 1.00 0.00 H new ATOM 0 HG11 VAL B 13 45.798 4.722 9.219 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.474 3.628 7.853 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.116 3.105 9.516 1.00 0.00 H new ATOM 0 HG21 VAL B 13 47.688 4.276 10.765 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.053 2.651 11.117 1.00 0.00 H new ATOM 0 HG23 VAL B 13 48.724 2.848 10.538 1.00 0.00 H new ATOM 661 N VAL B 14 48.621 0.457 10.175 1.00 0.00 N ATOM 662 CA VAL B 14 49.834 -0.236 10.582 1.00 0.00 C ATOM 663 C VAL B 14 50.097 -1.365 9.587 1.00 0.00 C ATOM 664 O VAL B 14 51.218 -1.550 9.098 1.00 0.00 O ATOM 665 CB VAL B 14 49.674 -0.804 11.995 1.00 0.00 C ATOM 666 CG1 VAL B 14 50.871 -1.697 12.329 1.00 0.00 C ATOM 667 CG2 VAL B 14 49.605 0.347 13.002 1.00 0.00 C ATOM 0 H VAL B 14 47.888 0.512 10.882 1.00 0.00 H new ATOM 0 HA VAL B 14 50.674 0.459 10.591 1.00 0.00 H new ATOM 0 HB VAL B 14 48.757 -1.391 12.046 1.00 0.00 H new ATOM 0 HG11 VAL B 14 50.755 -2.100 13.335 1.00 0.00 H new ATOM 0 HG12 VAL B 14 50.924 -2.517 11.613 1.00 0.00 H new ATOM 0 HG13 VAL B 14 51.788 -1.110 12.277 1.00 0.00 H new ATOM 0 HG21 VAL B 14 49.491 -0.056 14.008 1.00 0.00 H new ATOM 0 HG22 VAL B 14 50.522 0.933 12.948 1.00 0.00 H new ATOM 0 HG23 VAL B 14 48.752 0.985 12.768 1.00 0.00 H new ATOM 677 N GLY B 15 49.034 -2.098 9.270 1.00 0.00 N ATOM 678 CA GLY B 15 49.126 -3.193 8.313 1.00 0.00 C ATOM 679 C GLY B 15 49.499 -2.676 6.925 1.00 0.00 C ATOM 680 O GLY B 15 50.071 -3.405 6.121 1.00 0.00 O ATOM 0 H GLY B 15 48.103 -1.954 9.661 1.00 0.00 H new ATOM 0 HA2 GLY B 15 49.872 -3.913 8.649 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.173 -3.720 8.265 1.00 0.00 H new ATOM 684 N ASP B 16 49.164 -1.416 6.647 1.00 0.00 N ATOM 685 CA ASP B 16 49.471 -0.822 5.349 1.00 0.00 C ATOM 686 C ASP B 16 50.975 -0.694 5.176 1.00 0.00 C ATOM 687 O ASP B 16 51.528 -1.100 4.153 1.00 0.00 O ATOM 688 CB ASP B 16 48.820 0.558 5.222 1.00 0.00 C ATOM 689 CG ASP B 16 48.912 1.050 3.783 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.017 1.329 3.347 1.00 0.00 O ATOM 691 OD2 ASP B 16 47.879 1.146 3.140 1.00 0.00 O ATOM 0 H ASP B 16 48.685 -0.793 7.297 1.00 0.00 H new ATOM 0 HA ASP B 16 49.072 -1.473 4.571 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.776 0.506 5.531 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.315 1.265 5.888 1.00 0.00 H new ATOM 696 N LEU B 17 51.639 -0.144 6.188 1.00 0.00 N ATOM 697 CA LEU B 17 53.085 0.007 6.130 1.00 0.00 C ATOM 698 C LEU B 17 53.727 -1.372 6.015 1.00 0.00 C ATOM 699 O LEU B 17 54.695 -1.559 5.280 1.00 0.00 O ATOM 700 CB LEU B 17 53.598 0.728 7.389 1.00 0.00 C ATOM 701 CG LEU B 17 53.446 2.245 7.225 1.00 0.00 C ATOM 702 CD1 LEU B 17 51.965 2.605 7.106 1.00 0.00 C ATOM 703 CD2 LEU B 17 54.043 2.950 8.445 1.00 0.00 C ATOM 0 H LEU B 17 51.205 0.199 7.045 1.00 0.00 H new ATOM 0 HA LEU B 17 53.351 0.607 5.260 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.041 0.391 8.263 1.00 0.00 H new ATOM 0 HB3 LEU B 17 54.644 0.476 7.561 1.00 0.00 H new ATOM 0 HG LEU B 17 53.969 2.565 6.324 1.00 0.00 H new ATOM 0 HD11 LEU B 17 51.861 3.684 6.990 1.00 0.00 H new ATOM 0 HD12 LEU B 17 51.537 2.103 6.238 1.00 0.00 H new ATOM 0 HD13 LEU B 17 51.439 2.285 8.006 1.00 0.00 H new ATOM 0 HD21 LEU B 17 53.936 4.029 8.330 1.00 0.00 H new ATOM 0 HD22 LEU B 17 53.519 2.627 9.345 1.00 0.00 H new ATOM 0 HD23 LEU B 17 55.100 2.697 8.530 1.00 0.00 H new ATOM 715 N VAL B 18 53.173 -2.335 6.746 1.00 0.00 N ATOM 716 CA VAL B 18 53.698 -3.696 6.715 1.00 0.00 C ATOM 717 C VAL B 18 53.481 -4.342 5.341 1.00 0.00 C ATOM 718 O VAL B 18 54.259 -5.199 4.921 1.00 0.00 O ATOM 719 CB VAL B 18 53.007 -4.539 7.789 1.00 0.00 C ATOM 720 CG1 VAL B 18 53.502 -5.984 7.703 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.334 -3.967 9.171 1.00 0.00 C ATOM 0 H VAL B 18 52.370 -2.201 7.360 1.00 0.00 H new ATOM 0 HA VAL B 18 54.770 -3.652 6.909 1.00 0.00 H new ATOM 0 HB VAL B 18 51.929 -4.517 7.631 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.009 -6.584 8.468 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.270 -6.390 6.719 1.00 0.00 H new ATOM 0 HG13 VAL B 18 54.580 -6.009 7.861 1.00 0.00 H new ATOM 0 HG21 VAL B 18 52.843 -4.566 9.938 1.00 0.00 H new ATOM 0 HG22 VAL B 18 54.412 -3.989 9.328 1.00 0.00 H new ATOM 0 HG23 VAL B 18 52.980 -2.938 9.232 1.00 0.00 H new ATOM 731 N LEU B 19 52.416 -3.935 4.653 1.00 0.00 N ATOM 732 CA LEU B 19 52.101 -4.490 3.339 1.00 0.00 C ATOM 733 C LEU B 19 53.101 -3.998 2.296 1.00 0.00 C ATOM 734 O LEU B 19 53.707 -4.792 1.574 1.00 0.00 O ATOM 735 CB LEU B 19 50.667 -4.076 2.950 1.00 0.00 C ATOM 736 CG LEU B 19 50.046 -5.088 1.971 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.547 -4.807 1.825 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.719 -4.969 0.599 1.00 0.00 C ATOM 0 H LEU B 19 51.760 -3.227 4.982 1.00 0.00 H new ATOM 0 HA LEU B 19 52.167 -5.577 3.379 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.050 -4.005 3.846 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.682 -3.086 2.494 1.00 0.00 H new ATOM 0 HG LEU B 19 50.195 -6.095 2.359 1.00 0.00 H new ATOM 0 HD11 LEU B 19 48.108 -5.524 1.131 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.063 -4.900 2.797 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.402 -3.797 1.442 1.00 0.00 H new ATOM 0 HD21 LEU B 19 50.274 -5.689 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.577 -3.961 0.210 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.785 -5.173 0.698 1.00 0.00 H new ATOM 750 N THR B 20 53.271 -2.684 2.228 1.00 0.00 N ATOM 751 CA THR B 20 54.199 -2.096 1.272 1.00 0.00 C ATOM 752 C THR B 20 55.611 -2.616 1.497 1.00 0.00 C ATOM 753 O THR B 20 56.303 -2.975 0.551 1.00 0.00 O ATOM 754 CB THR B 20 54.196 -0.572 1.412 1.00 0.00 C ATOM 755 OG1 THR B 20 52.858 -0.097 1.403 1.00 0.00 O ATOM 756 CG2 THR B 20 54.969 0.051 0.248 1.00 0.00 C ATOM 0 H THR B 20 52.783 -2.010 2.818 1.00 0.00 H new ATOM 0 HA THR B 20 53.876 -2.376 0.269 1.00 0.00 H new ATOM 0 HB THR B 20 54.672 -0.294 2.352 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.857 0.879 1.494 1.00 0.00 H new ATOM 0 HG21 THR B 20 54.966 1.136 0.349 1.00 0.00 H new ATOM 0 HG22 THR B 20 55.997 -0.312 0.258 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.495 -0.227 -0.694 1.00 0.00 H new ATOM 764 N VAL B 21 56.040 -2.637 2.752 1.00 0.00 N ATOM 765 CA VAL B 21 57.384 -3.094 3.086 1.00 0.00 C ATOM 766 C VAL B 21 57.546 -4.599 2.878 1.00 0.00 C ATOM 767 O VAL B 21 58.640 -5.069 2.574 1.00 0.00 O ATOM 768 CB VAL B 21 57.703 -2.745 4.541 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.088 -3.279 4.909 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.680 -1.225 4.714 1.00 0.00 C ATOM 0 H VAL B 21 55.480 -2.344 3.553 1.00 0.00 H new ATOM 0 HA VAL B 21 58.078 -2.587 2.416 1.00 0.00 H new ATOM 0 HB VAL B 21 56.958 -3.200 5.194 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.311 -3.028 5.946 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.105 -4.362 4.786 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.837 -2.828 4.258 1.00 0.00 H new ATOM 0 HG21 VAL B 21 57.907 -0.973 5.750 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.425 -0.773 4.059 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.692 -0.844 4.456 1.00 0.00 H new ATOM 780 N LEU B 22 56.472 -5.355 3.062 1.00 0.00 N ATOM 781 CA LEU B 22 56.555 -6.803 2.904 1.00 0.00 C ATOM 782 C LEU B 22 56.788 -7.191 1.446 1.00 0.00 C ATOM 783 O LEU B 22 57.742 -7.906 1.131 1.00 0.00 O ATOM 784 CB LEU B 22 55.265 -7.455 3.423 1.00 0.00 C ATOM 785 CG LEU B 22 55.247 -8.957 3.102 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.539 -9.619 3.595 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.046 -9.603 3.800 1.00 0.00 C ATOM 0 H LEU B 22 55.550 -5.000 3.316 1.00 0.00 H new ATOM 0 HA LEU B 22 57.405 -7.161 3.485 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.185 -7.308 4.500 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.400 -6.971 2.970 1.00 0.00 H new ATOM 0 HG LEU B 22 55.170 -9.093 2.023 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.514 -10.683 3.362 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.395 -9.159 3.101 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.628 -9.486 4.673 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.026 -10.670 3.577 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.130 -9.459 4.877 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.126 -9.141 3.443 1.00 0.00 H new ATOM 799 N ILE B 23 55.915 -6.730 0.560 1.00 0.00 N ATOM 800 CA ILE B 23 56.047 -7.058 -0.851 1.00 0.00 C ATOM 801 C ILE B 23 57.235 -6.313 -1.464 1.00 0.00 C ATOM 802 O ILE B 23 57.984 -6.879 -2.259 1.00 0.00 O ATOM 803 CB ILE B 23 54.743 -6.734 -1.589 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.561 -7.264 -0.766 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.743 -7.424 -2.961 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.243 -6.924 -1.463 1.00 0.00 C ATOM 0 H ILE B 23 55.118 -6.136 0.790 1.00 0.00 H new ATOM 0 HA ILE B 23 56.238 -8.126 -0.953 1.00 0.00 H new ATOM 0 HB ILE B 23 54.657 -5.656 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.648 -8.343 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.577 -6.827 0.232 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.815 -7.193 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.589 -7.067 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.824 -8.503 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.410 -7.304 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.153 -5.842 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.225 -7.383 -2.452 1.00 0.00 H new ATOM 818 N ALA B 24 57.419 -5.048 -1.075 1.00 0.00 N ATOM 819 CA ALA B 24 58.541 -4.264 -1.588 1.00 0.00 C ATOM 820 C ALA B 24 59.862 -4.910 -1.176 1.00 0.00 C ATOM 821 O ALA B 24 60.835 -4.905 -1.933 1.00 0.00 O ATOM 822 CB ALA B 24 58.487 -2.833 -1.051 1.00 0.00 C ATOM 0 H ALA B 24 56.816 -4.553 -0.418 1.00 0.00 H new ATOM 0 HA ALA B 24 58.471 -4.237 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.330 -2.265 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.555 -2.362 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.537 -2.851 0.038 1.00 0.00 H new ATOM 828 N LEU B 25 59.892 -5.472 0.031 1.00 0.00 N ATOM 829 CA LEU B 25 61.099 -6.126 0.522 1.00 0.00 C ATOM 830 C LEU B 25 61.320 -7.429 -0.238 1.00 0.00 C ATOM 831 O LEU B 25 62.452 -7.798 -0.543 1.00 0.00 O ATOM 832 CB LEU B 25 60.978 -6.402 2.027 1.00 0.00 C ATOM 833 CG LEU B 25 62.177 -7.226 2.525 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.492 -6.524 2.152 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.087 -7.365 4.048 1.00 0.00 C ATOM 0 H LEU B 25 59.104 -5.487 0.678 1.00 0.00 H new ATOM 0 HA LEU B 25 61.953 -5.469 0.359 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.926 -5.459 2.572 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.051 -6.939 2.230 1.00 0.00 H new ATOM 0 HG LEU B 25 62.158 -8.211 2.058 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.335 -7.116 2.509 1.00 0.00 H new ATOM 0 HD12 LEU B 25 63.555 -6.421 1.069 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.521 -5.537 2.613 1.00 0.00 H new ATOM 0 HD21 LEU B 25 62.933 -7.948 4.411 1.00 0.00 H new ATOM 0 HD22 LEU B 25 62.105 -6.376 4.505 1.00 0.00 H new ATOM 0 HD23 LEU B 25 61.158 -7.870 4.313 1.00 0.00 H new ATOM 847 N ALA B 26 60.225 -8.122 -0.540 1.00 0.00 N ATOM 848 CA ALA B 26 60.310 -9.383 -1.266 1.00 0.00 C ATOM 849 C ALA B 26 61.001 -9.187 -2.613 1.00 0.00 C ATOM 850 O ALA B 26 61.957 -9.893 -2.939 1.00 0.00 O ATOM 851 CB ALA B 26 58.907 -9.953 -1.488 1.00 0.00 C ATOM 0 H ALA B 26 59.278 -7.834 -0.295 1.00 0.00 H new ATOM 0 HA ALA B 26 60.898 -10.082 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.979 -10.895 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA B 26 58.428 -10.125 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA B 26 58.314 -9.245 -2.067 1.00 0.00 H new ATOM 857 N VAL B 27 60.516 -8.227 -3.396 1.00 0.00 N ATOM 858 CA VAL B 27 61.104 -7.960 -4.704 1.00 0.00 C ATOM 859 C VAL B 27 62.528 -7.432 -4.560 1.00 0.00 C ATOM 860 O VAL B 27 63.401 -7.752 -5.366 1.00 0.00 O ATOM 861 CB VAL B 27 60.250 -6.946 -5.467 1.00 0.00 C ATOM 862 CG1 VAL B 27 58.857 -7.532 -5.704 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.121 -5.667 -4.643 1.00 0.00 C ATOM 0 H VAL B 27 59.727 -7.628 -3.151 1.00 0.00 H new ATOM 0 HA VAL B 27 61.136 -8.896 -5.262 1.00 0.00 H new ATOM 0 HB VAL B 27 60.723 -6.721 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.247 -6.811 -6.248 1.00 0.00 H new ATOM 0 HG12 VAL B 27 58.942 -8.448 -6.288 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.388 -7.755 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.513 -4.944 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.647 -5.895 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.111 -5.247 -4.465 1.00 0.00 H new ATOM 873 N TYR B 28 62.756 -6.620 -3.532 1.00 0.00 N ATOM 874 CA TYR B 28 64.082 -6.056 -3.304 1.00 0.00 C ATOM 875 C TYR B 28 65.106 -7.168 -3.088 1.00 0.00 C ATOM 876 O TYR B 28 66.182 -7.158 -3.686 1.00 0.00 O ATOM 877 CB TYR B 28 64.058 -5.137 -2.082 1.00 0.00 C ATOM 878 CG TYR B 28 65.402 -4.465 -1.933 1.00 0.00 C ATOM 879 CD1 TYR B 28 65.693 -3.313 -2.673 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.357 -4.993 -1.056 1.00 0.00 C ATOM 881 CE1 TYR B 28 66.939 -2.689 -2.536 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.603 -4.370 -0.920 1.00 0.00 C ATOM 883 CZ TYR B 28 67.894 -3.217 -1.659 1.00 0.00 C ATOM 884 OH TYR B 28 69.121 -2.603 -1.525 1.00 0.00 O ATOM 0 H TYR B 28 62.050 -6.341 -2.851 1.00 0.00 H new ATOM 0 HA TYR B 28 64.367 -5.479 -4.184 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.275 -4.387 -2.192 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.825 -5.712 -1.186 1.00 0.00 H new ATOM 0 HD1 TYR B 28 64.956 -2.905 -3.350 1.00 0.00 H new ATOM 0 HD2 TYR B 28 66.132 -5.881 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR B 28 67.163 -1.800 -3.107 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.340 -4.779 -0.245 1.00 0.00 H new ATOM 0 HH TYR B 28 69.665 -3.097 -0.876 1.00 0.00 H new ATOM 894 N PHE B 29 64.762 -8.125 -2.232 1.00 0.00 N ATOM 895 CA PHE B 29 65.658 -9.240 -1.945 1.00 0.00 C ATOM 896 C PHE B 29 65.910 -10.064 -3.203 1.00 0.00 C ATOM 897 O PHE B 29 67.049 -10.424 -3.502 1.00 0.00 O ATOM 898 CB PHE B 29 65.052 -10.133 -0.862 1.00 0.00 C ATOM 899 CG PHE B 29 66.053 -11.192 -0.464 1.00 0.00 C ATOM 900 CD1 PHE B 29 67.082 -10.881 0.432 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.952 -12.485 -0.993 1.00 0.00 C ATOM 902 CE1 PHE B 29 68.011 -11.862 0.800 1.00 0.00 C ATOM 903 CE2 PHE B 29 66.881 -13.466 -0.624 1.00 0.00 C ATOM 904 CZ PHE B 29 67.910 -13.154 0.272 1.00 0.00 C ATOM 0 H PHE B 29 63.876 -8.151 -1.728 1.00 0.00 H new ATOM 0 HA PHE B 29 66.607 -8.836 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.776 -9.534 0.006 1.00 0.00 H new ATOM 0 HB3 PHE B 29 64.139 -10.601 -1.230 1.00 0.00 H new ATOM 0 HD1 PHE B 29 67.160 -9.884 0.840 1.00 0.00 H new ATOM 0 HD2 PHE B 29 65.158 -12.725 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.805 -11.622 1.491 1.00 0.00 H new ATOM 0 HE2 PHE B 29 66.803 -14.463 -1.031 1.00 0.00 H new ATOM 0 HZ PHE B 29 68.626 -13.911 0.556 1.00 0.00 H new ATOM 914 N LEU B 30 64.842 -10.363 -3.935 1.00 0.00 N ATOM 915 CA LEU B 30 64.962 -11.148 -5.158 1.00 0.00 C ATOM 916 C LEU B 30 65.830 -10.418 -6.178 1.00 0.00 C ATOM 917 O LEU B 30 66.650 -11.032 -6.862 1.00 0.00 O ATOM 918 CB LEU B 30 63.575 -11.402 -5.757 1.00 0.00 C ATOM 919 CG LEU B 30 62.758 -12.320 -4.834 1.00 0.00 C ATOM 920 CD1 LEU B 30 61.287 -12.276 -5.260 1.00 0.00 C ATOM 921 CD2 LEU B 30 63.271 -13.771 -4.918 1.00 0.00 C ATOM 0 H LEU B 30 63.891 -10.076 -3.705 1.00 0.00 H new ATOM 0 HA LEU B 30 65.430 -12.101 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU B 30 63.052 -10.456 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU B 30 63.674 -11.859 -6.741 1.00 0.00 H new ATOM 0 HG LEU B 30 62.863 -11.973 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU B 30 60.700 -12.925 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU B 30 60.916 -11.254 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU B 30 61.196 -12.618 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU B 30 62.680 -14.405 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU B 30 63.180 -14.130 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU B 30 64.317 -13.805 -4.613 1.00 0.00 H new ATOM 933 N GLY B 31 65.645 -9.106 -6.277 1.00 0.00 N ATOM 934 CA GLY B 31 66.417 -8.304 -7.219 1.00 0.00 C ATOM 935 C GLY B 31 67.907 -8.363 -6.893 1.00 0.00 C ATOM 936 O GLY B 31 68.749 -8.344 -7.791 1.00 0.00 O ATOM 0 H GLY B 31 64.972 -8.578 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY B 31 66.248 -8.665 -8.234 1.00 0.00 H new ATOM 0 HA3 GLY B 31 66.075 -7.270 -7.188 1.00 0.00 H new ATOM 940 N ARG B 32 68.224 -8.435 -5.604 1.00 0.00 N ATOM 941 CA ARG B 32 69.616 -8.496 -5.173 1.00 0.00 C ATOM 942 C ARG B 32 70.436 -7.404 -5.852 1.00 0.00 C ATOM 943 O ARG B 32 71.135 -7.658 -6.833 1.00 0.00 O ATOM 944 CB ARG B 32 70.210 -9.867 -5.508 1.00 0.00 C ATOM 945 CG ARG B 32 71.636 -9.953 -4.958 1.00 0.00 C ATOM 946 CD ARG B 32 72.192 -11.358 -5.195 1.00 0.00 C ATOM 947 NE ARG B 32 72.351 -11.606 -6.623 1.00 0.00 N ATOM 948 CZ ARG B 32 72.779 -12.781 -7.075 1.00 0.00 C ATOM 949 NH1 ARG B 32 73.069 -13.735 -6.233 1.00 0.00 N ATOM 950 NH2 ARG B 32 72.911 -12.979 -8.357 1.00 0.00 N ATOM 0 H ARG B 32 67.542 -8.452 -4.846 1.00 0.00 H new ATOM 0 HA ARG B 32 69.648 -8.341 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG B 32 69.594 -10.657 -5.078 1.00 0.00 H new ATOM 0 HB3 ARG B 32 70.215 -10.019 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG B 32 72.270 -9.213 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG B 32 71.640 -9.724 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG B 32 73.153 -11.466 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG B 32 71.520 -12.100 -4.763 1.00 0.00 H new ATOM 0 HE ARG B 32 72.130 -10.864 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG B 32 72.967 -13.579 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG B 32 73.397 -14.637 -6.578 1.00 0.00 H new ATOM 0 HH21 ARG B 32 72.686 -12.232 -9.014 1.00 0.00 H new ATOM 0 HH22 ARG B 32 73.239 -13.881 -8.703 1.00 0.00 H new ATOM 964 N LEU B 33 70.345 -6.187 -5.324 1.00 0.00 N ATOM 965 CA LEU B 33 71.085 -5.062 -5.887 1.00 0.00 C ATOM 966 C LEU B 33 70.927 -5.033 -7.405 1.00 0.00 C ATOM 967 CB LEU B 33 72.572 -5.175 -5.526 1.00 0.00 C ATOM 968 CG LEU B 33 72.800 -4.788 -4.052 1.00 0.00 C ATOM 969 CD1 LEU B 33 72.562 -3.279 -3.837 1.00 0.00 C ATOM 970 CD2 LEU B 33 71.854 -5.597 -3.155 1.00 0.00 C ATOM 0 H LEU B 33 69.771 -5.955 -4.513 1.00 0.00 H new ATOM 0 HA LEU B 33 70.684 -4.139 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU B 33 72.918 -6.194 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU B 33 73.160 -4.525 -6.174 1.00 0.00 H new ATOM 0 HG LEU B 33 73.834 -5.013 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU B 33 72.729 -3.030 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU B 33 73.252 -2.709 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU B 33 71.537 -3.030 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU B 33 72.017 -5.322 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU B 33 70.821 -5.384 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU B 33 72.051 -6.661 -3.284 1.00 0.00 H new TER 982 LEU B 33