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+ 163:sc= 0.228! (180deg=-0.235!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 51:sc= 0.878 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.548 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 CYS N :NH3+ -108:sc= 0.13 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= -4.57! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 33.525 14.572 21.400 1.00 0.00 N ATOM 2 CA CYS A 1 33.511 16.063 21.392 1.00 0.00 C ATOM 3 C CYS A 1 33.295 16.559 19.965 1.00 0.00 C ATOM 4 O CYS A 1 32.279 16.254 19.340 1.00 0.00 O ATOM 5 CB CYS A 1 34.842 16.584 21.939 1.00 0.00 C ATOM 6 SG CYS A 1 34.973 16.178 23.699 1.00 0.00 S ATOM 0 H1 CYS A 1 33.949 14.234 22.287 1.00 0.00 H new ATOM 0 H2 CYS A 1 32.551 14.215 21.324 1.00 0.00 H new ATOM 0 H3 CYS A 1 34.084 14.226 20.595 1.00 0.00 H new ATOM 0 HA CYS A 1 32.700 16.431 22.021 1.00 0.00 H new ATOM 0 HB2 CYS A 1 35.672 16.139 21.390 1.00 0.00 H new ATOM 0 HB3 CYS A 1 34.908 17.663 21.798 1.00 0.00 H new ATOM 10 N SER A 2 34.255 17.324 19.452 1.00 0.00 N ATOM 11 CA SER A 2 34.155 17.854 18.097 1.00 0.00 C ATOM 12 C SER A 2 34.388 16.750 17.071 1.00 0.00 C ATOM 13 O SER A 2 35.051 15.753 17.359 1.00 0.00 O ATOM 14 CB SER A 2 35.184 18.967 17.893 1.00 0.00 C ATOM 15 OG SER A 2 34.866 20.062 18.743 1.00 0.00 O ATOM 0 H SER A 2 35.105 17.589 19.950 1.00 0.00 H new ATOM 0 HA SER A 2 33.152 18.257 17.959 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.185 18.598 18.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.187 19.289 16.852 1.00 0.00 H new ATOM 0 HG SER A 2 35.525 20.777 18.616 1.00 0.00 H new ATOM 21 N THR A 3 33.837 16.932 15.875 1.00 0.00 N ATOM 22 CA THR A 3 33.991 15.942 14.815 1.00 0.00 C ATOM 23 C THR A 3 35.450 15.517 14.688 1.00 0.00 C ATOM 24 O THR A 3 36.293 16.286 14.223 1.00 0.00 O ATOM 25 CB THR A 3 33.508 16.522 13.484 1.00 0.00 C ATOM 26 OG1 THR A 3 34.279 17.672 13.162 1.00 0.00 O ATOM 27 CG2 THR A 3 32.033 16.910 13.600 1.00 0.00 C ATOM 0 H THR A 3 33.284 17.749 15.617 1.00 0.00 H new ATOM 0 HA THR A 3 33.391 15.068 15.069 1.00 0.00 H new ATOM 0 HB THR A 3 33.624 15.775 12.698 1.00 0.00 H new ATOM 0 HG1 THR A 3 35.233 17.455 13.227 1.00 0.00 H new ATOM 0 HG21 THR A 3 31.690 17.323 12.651 1.00 0.00 H new ATOM 0 HG22 THR A 3 31.443 16.027 13.846 1.00 0.00 H new ATOM 0 HG23 THR A 3 31.914 17.657 14.385 1.00 0.00 H new ATOM 35 N VAL A 4 35.741 14.288 15.101 1.00 0.00 N ATOM 36 CA VAL A 4 37.102 13.771 15.027 1.00 0.00 C ATOM 37 C VAL A 4 37.542 13.638 13.573 1.00 0.00 C ATOM 38 O VAL A 4 38.734 13.657 13.269 1.00 0.00 O ATOM 39 CB VAL A 4 37.180 12.409 15.717 1.00 0.00 C ATOM 40 CG1 VAL A 4 38.628 11.913 15.710 1.00 0.00 C ATOM 41 CG2 VAL A 4 36.697 12.545 17.163 1.00 0.00 C ATOM 0 H VAL A 4 35.058 13.636 15.488 1.00 0.00 H new ATOM 0 HA VAL A 4 37.768 14.470 15.533 1.00 0.00 H new ATOM 0 HB VAL A 4 36.550 11.696 15.185 1.00 0.00 H new ATOM 0 HG11 VAL A 4 38.682 10.942 16.202 1.00 0.00 H new ATOM 0 HG12 VAL A 4 38.975 11.818 14.681 1.00 0.00 H new ATOM 0 HG13 VAL A 4 39.259 12.625 16.242 1.00 0.00 H new ATOM 0 HG21 VAL A 4 36.751 11.575 17.658 1.00 0.00 H new ATOM 0 HG22 VAL A 4 37.329 13.258 17.692 1.00 0.00 H new ATOM 0 HG23 VAL A 4 35.666 12.899 17.170 1.00 0.00 H new ATOM 51 N SER A 5 36.566 13.503 12.680 1.00 0.00 N ATOM 52 CA SER A 5 36.855 13.370 11.257 1.00 0.00 C ATOM 53 C SER A 5 37.747 12.160 10.996 1.00 0.00 C ATOM 54 O SER A 5 38.848 12.293 10.462 1.00 0.00 O ATOM 55 CB SER A 5 37.545 14.634 10.743 1.00 0.00 C ATOM 56 OG SER A 5 36.833 15.776 11.200 1.00 0.00 O ATOM 0 H SER A 5 35.574 13.483 12.915 1.00 0.00 H new ATOM 0 HA SER A 5 35.912 13.229 10.729 1.00 0.00 H new ATOM 0 HB2 SER A 5 38.576 14.669 11.096 1.00 0.00 H new ATOM 0 HB3 SER A 5 37.581 14.625 9.654 1.00 0.00 H new ATOM 0 HG SER A 5 37.274 16.588 10.874 1.00 0.00 H new ATOM 62 N PRO A 6 37.291 10.989 11.354 1.00 0.00 N ATOM 63 CA PRO A 6 38.059 9.728 11.148 1.00 0.00 C ATOM 64 C PRO A 6 38.015 9.277 9.687 1.00 0.00 C ATOM 65 O PRO A 6 38.380 8.147 9.363 1.00 0.00 O ATOM 66 CB PRO A 6 37.342 8.730 12.065 1.00 0.00 C ATOM 67 CG PRO A 6 35.926 9.207 12.106 1.00 0.00 C ATOM 68 CD PRO A 6 35.989 10.737 11.999 1.00 0.00 C ATOM 0 HA PRO A 6 39.119 9.833 11.377 1.00 0.00 H new ATOM 0 HB2 PRO A 6 37.407 7.715 11.674 1.00 0.00 H new ATOM 0 HB3 PRO A 6 37.785 8.717 13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 6 35.348 8.782 11.285 1.00 0.00 H new ATOM 0 HG3 PRO A 6 35.438 8.901 13.031 1.00 0.00 H new ATOM 0 HD2 PRO A 6 35.165 11.131 11.405 1.00 0.00 H new ATOM 0 HD3 PRO A 6 35.930 11.210 12.979 1.00 0.00 H new ATOM 76 N GLY A 7 37.560 10.170 8.814 1.00 0.00 N ATOM 77 CA GLY A 7 37.464 9.859 7.392 1.00 0.00 C ATOM 78 C GLY A 7 38.838 9.553 6.804 1.00 0.00 C ATOM 79 O GLY A 7 38.973 8.689 5.935 1.00 0.00 O ATOM 0 H GLY A 7 37.253 11.110 9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 7 36.804 9.004 7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.017 10.700 6.862 1.00 0.00 H new ATOM 83 N VAL A 8 39.855 10.266 7.277 1.00 0.00 N ATOM 84 CA VAL A 8 41.212 10.056 6.783 1.00 0.00 C ATOM 85 C VAL A 8 41.608 8.589 6.939 1.00 0.00 C ATOM 86 O VAL A 8 42.134 7.979 6.008 1.00 0.00 O ATOM 87 CB VAL A 8 42.190 10.956 7.544 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.181 10.593 9.032 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.601 10.773 6.977 1.00 0.00 C ATOM 0 H VAL A 8 39.768 10.987 7.994 1.00 0.00 H new ATOM 0 HA VAL A 8 41.248 10.314 5.725 1.00 0.00 H new ATOM 0 HB VAL A 8 41.885 11.996 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 8 42.879 11.237 9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.177 10.731 9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.481 9.552 9.154 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.297 11.414 7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 8 43.905 9.732 7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.607 11.043 5.921 1.00 0.00 H new ATOM 99 N LEU A 9 41.329 8.022 8.111 1.00 0.00 N ATOM 100 CA LEU A 9 41.642 6.617 8.364 1.00 0.00 C ATOM 101 C LEU A 9 41.059 5.755 7.231 1.00 0.00 C ATOM 102 O LEU A 9 41.752 4.912 6.646 1.00 0.00 O ATOM 103 CB LEU A 9 41.042 6.201 9.730 1.00 0.00 C ATOM 104 CG LEU A 9 42.109 6.203 10.849 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.231 5.172 10.555 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.708 7.610 10.984 1.00 0.00 C ATOM 0 H LEU A 9 40.891 8.508 8.894 1.00 0.00 H new ATOM 0 HA LEU A 9 42.722 6.471 8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.235 6.884 9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.604 5.206 9.647 1.00 0.00 H new ATOM 0 HG LEU A 9 41.629 5.918 11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 9 43.967 5.196 11.359 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.799 4.173 10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.716 5.421 9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.460 7.611 11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.171 7.900 10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 9 41.919 8.319 11.234 1.00 0.00 H new ATOM 118 N ALA A 10 39.786 5.990 6.917 1.00 0.00 N ATOM 119 CA ALA A 10 39.123 5.252 5.846 1.00 0.00 C ATOM 120 C ALA A 10 39.918 5.411 4.552 1.00 0.00 C ATOM 121 O ALA A 10 40.064 4.481 3.754 1.00 0.00 O ATOM 122 CB ALA A 10 37.703 5.787 5.648 1.00 0.00 C ATOM 0 H ALA A 10 39.198 6.680 7.385 1.00 0.00 H new ATOM 0 HA ALA A 10 39.071 4.197 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.214 5.232 4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.137 5.667 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.746 6.844 5.384 1.00 0.00 H new ATOM 128 N GLY A 11 40.448 6.606 4.361 1.00 0.00 N ATOM 129 CA GLY A 11 41.240 6.893 3.174 1.00 0.00 C ATOM 130 C GLY A 11 42.460 5.986 3.119 1.00 0.00 C ATOM 131 O GLY A 11 42.865 5.522 2.047 1.00 0.00 O ATOM 0 H GLY A 11 40.347 7.389 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.632 6.751 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.555 7.937 3.182 1.00 0.00 H new ATOM 135 N ILE A 12 43.046 5.731 4.281 1.00 0.00 N ATOM 136 CA ILE A 12 44.219 4.881 4.338 1.00 0.00 C ATOM 137 C ILE A 12 43.855 3.447 3.951 1.00 0.00 C ATOM 138 O ILE A 12 44.615 2.804 3.234 1.00 0.00 O ATOM 139 CB ILE A 12 44.886 4.939 5.734 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.757 6.211 5.857 1.00 0.00 C ATOM 141 CG2 ILE A 12 45.783 3.703 5.953 1.00 0.00 C ATOM 142 CD1 ILE A 12 44.875 7.451 5.991 1.00 0.00 C ATOM 0 H ILE A 12 42.732 6.095 5.181 1.00 0.00 H new ATOM 0 HA ILE A 12 44.948 5.252 3.618 1.00 0.00 H new ATOM 0 HB ILE A 12 44.097 4.957 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 12 46.412 6.128 6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 12 46.398 6.306 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.245 3.759 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.179 2.798 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.560 3.678 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 12 45.504 8.337 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 12 44.238 7.541 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 12 44.253 7.360 6.881 1.00 0.00 H new ATOM 154 N VAL A 13 42.707 2.935 4.405 1.00 0.00 N ATOM 155 CA VAL A 13 42.351 1.559 4.029 1.00 0.00 C ATOM 156 C VAL A 13 42.304 1.463 2.510 1.00 0.00 C ATOM 157 O VAL A 13 42.805 0.505 1.919 1.00 0.00 O ATOM 158 CB VAL A 13 41.015 1.067 4.659 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.774 1.761 5.998 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.813 1.318 3.729 1.00 0.00 C ATOM 0 H VAL A 13 42.037 3.420 5.002 1.00 0.00 H new ATOM 0 HA VAL A 13 43.119 0.898 4.429 1.00 0.00 H new ATOM 0 HB VAL A 13 41.107 -0.008 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.837 1.408 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.594 1.533 6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.719 2.839 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 13 38.902 0.960 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.723 2.386 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 13 39.963 0.786 2.789 1.00 0.00 H new ATOM 170 N VAL A 14 41.731 2.477 1.873 1.00 0.00 N ATOM 171 CA VAL A 14 41.679 2.474 0.421 1.00 0.00 C ATOM 172 C VAL A 14 43.101 2.321 -0.106 1.00 0.00 C ATOM 173 O VAL A 14 43.366 1.540 -1.025 1.00 0.00 O ATOM 174 CB VAL A 14 41.058 3.773 -0.096 1.00 0.00 C ATOM 175 CG1 VAL A 14 41.064 3.767 -1.624 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.616 3.878 0.406 1.00 0.00 C ATOM 0 H VAL A 14 41.308 3.288 2.324 1.00 0.00 H new ATOM 0 HA VAL A 14 41.059 1.647 0.073 1.00 0.00 H new ATOM 0 HB VAL A 14 41.635 4.624 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.622 4.692 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.090 3.686 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.485 2.918 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.170 4.803 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.041 3.028 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.609 3.879 1.496 1.00 0.00 H new ATOM 186 N GLY A 15 44.021 3.058 0.513 1.00 0.00 N ATOM 187 CA GLY A 15 45.425 2.990 0.130 1.00 0.00 C ATOM 188 C GLY A 15 45.989 1.583 0.353 1.00 0.00 C ATOM 189 O GLY A 15 46.847 1.127 -0.399 1.00 0.00 O ATOM 0 H GLY A 15 43.819 3.704 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.533 3.267 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.999 3.712 0.711 1.00 0.00 H new ATOM 193 N ASP A 16 45.503 0.902 1.392 1.00 0.00 N ATOM 194 CA ASP A 16 45.972 -0.448 1.701 1.00 0.00 C ATOM 195 C ASP A 16 45.701 -1.383 0.532 1.00 0.00 C ATOM 196 O ASP A 16 46.599 -2.084 0.059 1.00 0.00 O ATOM 197 CB ASP A 16 45.273 -0.982 2.955 1.00 0.00 C ATOM 198 CG ASP A 16 45.874 -2.324 3.355 1.00 0.00 C ATOM 199 OD1 ASP A 16 46.076 -3.144 2.476 1.00 0.00 O ATOM 200 OD2 ASP A 16 46.113 -2.517 4.535 1.00 0.00 O ATOM 0 H ASP A 16 44.791 1.260 2.028 1.00 0.00 H new ATOM 0 HA ASP A 16 47.046 -0.403 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.379 -0.269 3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.205 -1.094 2.766 1.00 0.00 H new ATOM 205 N LEU A 17 44.461 -1.384 0.059 1.00 0.00 N ATOM 206 CA LEU A 17 44.099 -2.235 -1.066 1.00 0.00 C ATOM 207 C LEU A 17 44.943 -1.855 -2.280 1.00 0.00 C ATOM 208 O LEU A 17 45.366 -2.718 -3.052 1.00 0.00 O ATOM 209 CB LEU A 17 42.602 -2.083 -1.392 1.00 0.00 C ATOM 210 CG LEU A 17 41.773 -2.980 -0.466 1.00 0.00 C ATOM 211 CD1 LEU A 17 42.001 -2.571 0.990 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.289 -2.830 -0.810 1.00 0.00 C ATOM 0 H LEU A 17 43.700 -0.815 0.430 1.00 0.00 H new ATOM 0 HA LEU A 17 44.290 -3.276 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.299 -1.043 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.418 -2.351 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 17 42.078 -4.018 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.410 -3.211 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.057 -2.677 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.698 -1.533 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.697 -3.467 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.988 -1.791 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.124 -3.125 -1.846 1.00 0.00 H new ATOM 224 N VAL A 18 45.185 -0.558 -2.436 1.00 0.00 N ATOM 225 CA VAL A 18 45.980 -0.070 -3.557 1.00 0.00 C ATOM 226 C VAL A 18 47.420 -0.584 -3.483 1.00 0.00 C ATOM 227 O VAL A 18 48.046 -0.823 -4.512 1.00 0.00 O ATOM 228 CB VAL A 18 45.978 1.462 -3.566 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.952 1.978 -4.631 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.567 1.966 -3.883 1.00 0.00 C ATOM 0 H VAL A 18 44.845 0.169 -1.806 1.00 0.00 H new ATOM 0 HA VAL A 18 45.532 -0.444 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 18 46.289 1.827 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.946 3.068 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.957 1.621 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.646 1.612 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.563 3.056 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.260 1.596 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.873 1.605 -3.124 1.00 0.00 H new ATOM 240 N LEU A 19 47.948 -0.738 -2.273 1.00 0.00 N ATOM 241 CA LEU A 19 49.320 -1.210 -2.107 1.00 0.00 C ATOM 242 C LEU A 19 49.441 -2.688 -2.456 1.00 0.00 C ATOM 243 O LEU A 19 50.353 -3.091 -3.177 1.00 0.00 O ATOM 244 CB LEU A 19 49.767 -0.988 -0.661 1.00 0.00 C ATOM 245 CG LEU A 19 49.980 0.514 -0.404 1.00 0.00 C ATOM 246 CD1 LEU A 19 50.012 0.769 1.108 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.303 0.993 -1.041 1.00 0.00 C ATOM 0 H LEU A 19 47.454 -0.546 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 19 49.959 -0.645 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 19 49.017 -1.380 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.691 -1.533 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 19 49.158 1.070 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.163 1.832 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.067 0.453 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.829 0.203 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.435 2.058 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.136 0.440 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.272 0.820 -2.117 1.00 0.00 H new ATOM 259 N THR A 20 48.525 -3.496 -1.938 1.00 0.00 N ATOM 260 CA THR A 20 48.563 -4.928 -2.204 1.00 0.00 C ATOM 261 C THR A 20 48.460 -5.206 -3.702 1.00 0.00 C ATOM 262 O THR A 20 49.246 -5.973 -4.256 1.00 0.00 O ATOM 263 CB THR A 20 47.408 -5.623 -1.476 1.00 0.00 C ATOM 264 OG1 THR A 20 47.402 -5.227 -0.111 1.00 0.00 O ATOM 265 CG2 THR A 20 47.581 -7.140 -1.572 1.00 0.00 C ATOM 0 H THR A 20 47.757 -3.190 -1.340 1.00 0.00 H new ATOM 0 HA THR A 20 49.514 -5.318 -1.841 1.00 0.00 H new ATOM 0 HB THR A 20 46.463 -5.339 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.662 -5.670 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.759 -7.633 -1.054 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.582 -7.441 -2.620 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.526 -7.428 -1.111 1.00 0.00 H new ATOM 273 N VAL A 21 47.476 -4.585 -4.342 1.00 0.00 N ATOM 274 CA VAL A 21 47.250 -4.778 -5.773 1.00 0.00 C ATOM 275 C VAL A 21 48.335 -4.125 -6.627 1.00 0.00 C ATOM 276 O VAL A 21 48.684 -4.638 -7.687 1.00 0.00 O ATOM 277 CB VAL A 21 45.887 -4.198 -6.156 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.660 -4.363 -7.660 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.785 -4.937 -5.391 1.00 0.00 C ATOM 0 H VAL A 21 46.821 -3.944 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 21 47.280 -5.850 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 21 45.862 -3.139 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.688 -3.949 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.443 -3.836 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.687 -5.422 -7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.814 -4.524 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.813 -5.997 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.943 -4.817 -4.319 1.00 0.00 H new ATOM 289 N LEU A 22 48.842 -2.980 -6.187 1.00 0.00 N ATOM 290 CA LEU A 22 49.860 -2.269 -6.957 1.00 0.00 C ATOM 291 C LEU A 22 51.157 -3.071 -7.058 1.00 0.00 C ATOM 292 O LEU A 22 51.643 -3.336 -8.161 1.00 0.00 O ATOM 293 CB LEU A 22 50.129 -0.900 -6.312 1.00 0.00 C ATOM 294 CG LEU A 22 51.335 -0.213 -6.972 1.00 0.00 C ATOM 295 CD1 LEU A 22 51.137 -0.160 -8.492 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.456 1.212 -6.425 1.00 0.00 C ATOM 0 H LEU A 22 48.571 -2.527 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 22 49.484 -2.130 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.247 -0.268 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.315 -1.026 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 22 52.242 -0.776 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 22 51.995 0.328 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 22 51.042 -1.173 -8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 22 50.232 0.403 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.309 1.708 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.546 1.768 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.599 1.176 -5.345 1.00 0.00 H new ATOM 308 N ILE A 23 51.724 -3.457 -5.918 1.00 0.00 N ATOM 309 CA ILE A 23 52.961 -4.214 -5.942 1.00 0.00 C ATOM 310 C ILE A 23 52.699 -5.608 -6.510 1.00 0.00 C ATOM 311 O ILE A 23 53.493 -6.127 -7.293 1.00 0.00 O ATOM 312 CB ILE A 23 53.573 -4.337 -4.534 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.479 -3.001 -3.754 1.00 0.00 C ATOM 314 CG2 ILE A 23 55.048 -4.768 -4.664 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.563 -2.010 -4.194 1.00 0.00 C ATOM 0 H ILE A 23 51.353 -3.261 -4.988 1.00 0.00 H new ATOM 0 HA ILE A 23 53.671 -3.681 -6.575 1.00 0.00 H new ATOM 0 HB ILE A 23 53.010 -5.085 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.496 -2.557 -3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.576 -3.196 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.490 -4.858 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 23 55.102 -5.730 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.596 -4.021 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.464 -1.086 -3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.547 -2.443 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.450 -1.795 -5.257 1.00 0.00 H new ATOM 327 N ALA A 24 51.575 -6.209 -6.112 1.00 0.00 N ATOM 328 CA ALA A 24 51.229 -7.543 -6.593 1.00 0.00 C ATOM 329 C ALA A 24 51.154 -7.562 -8.113 1.00 0.00 C ATOM 330 O ALA A 24 51.588 -8.517 -8.753 1.00 0.00 O ATOM 331 CB ALA A 24 49.884 -7.986 -6.012 1.00 0.00 C ATOM 0 H ALA A 24 50.900 -5.798 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 24 52.008 -8.233 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.639 -8.983 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 24 49.946 -8.006 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.107 -7.285 -6.318 1.00 0.00 H new ATOM 337 N LEU A 25 50.606 -6.500 -8.690 1.00 0.00 N ATOM 338 CA LEU A 25 50.496 -6.419 -10.137 1.00 0.00 C ATOM 339 C LEU A 25 51.881 -6.254 -10.748 1.00 0.00 C ATOM 340 O LEU A 25 52.172 -6.797 -11.814 1.00 0.00 O ATOM 341 CB LEU A 25 49.595 -5.241 -10.532 1.00 0.00 C ATOM 342 CG LEU A 25 49.548 -5.087 -12.061 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.104 -6.404 -12.716 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.555 -3.974 -12.417 1.00 0.00 C ATOM 0 H LEU A 25 50.236 -5.695 -8.185 1.00 0.00 H new ATOM 0 HA LEU A 25 50.049 -7.339 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.588 -5.400 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.968 -4.322 -10.080 1.00 0.00 H new ATOM 0 HG LEU A 25 50.542 -4.833 -12.430 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.075 -6.280 -13.799 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.810 -7.194 -12.460 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.111 -6.673 -12.355 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.514 -3.856 -13.500 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.565 -4.236 -12.042 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.879 -3.038 -11.962 1.00 0.00 H new ATOM 356 N ALA A 26 52.730 -5.494 -10.063 1.00 0.00 N ATOM 357 CA ALA A 26 54.083 -5.252 -10.545 1.00 0.00 C ATOM 358 C ALA A 26 54.887 -6.550 -10.640 1.00 0.00 C ATOM 359 O ALA A 26 55.443 -6.861 -11.695 1.00 0.00 O ATOM 360 CB ALA A 26 54.795 -4.278 -9.604 1.00 0.00 C ATOM 0 H ALA A 26 52.506 -5.038 -9.178 1.00 0.00 H new ATOM 0 HA ALA A 26 54.013 -4.824 -11.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.807 -4.097 -9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.247 -3.336 -9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.838 -4.706 -8.602 1.00 0.00 H new ATOM 366 N VAL A 27 54.966 -7.301 -9.540 1.00 0.00 N ATOM 367 CA VAL A 27 55.733 -8.545 -9.547 1.00 0.00 C ATOM 368 C VAL A 27 55.106 -9.589 -10.466 1.00 0.00 C ATOM 369 O VAL A 27 55.808 -10.263 -11.219 1.00 0.00 O ATOM 370 CB VAL A 27 55.846 -9.107 -8.126 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.288 -7.993 -7.174 1.00 0.00 C ATOM 372 CG2 VAL A 27 54.491 -9.659 -7.672 1.00 0.00 C ATOM 0 H VAL A 27 54.518 -7.076 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 27 56.728 -8.314 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 27 56.580 -9.912 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.369 -8.390 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.257 -7.607 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.553 -7.188 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.580 -10.056 -6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 27 53.750 -8.860 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.177 -10.454 -8.348 1.00 0.00 H new ATOM 382 N TYR A 28 53.788 -9.726 -10.396 1.00 0.00 N ATOM 383 CA TYR A 28 53.096 -10.705 -11.223 1.00 0.00 C ATOM 384 C TYR A 28 53.346 -10.436 -12.704 1.00 0.00 C ATOM 385 O TYR A 28 53.627 -11.355 -13.471 1.00 0.00 O ATOM 386 CB TYR A 28 51.594 -10.659 -10.943 1.00 0.00 C ATOM 387 CG TYR A 28 50.891 -11.655 -11.831 1.00 0.00 C ATOM 388 CD1 TYR A 28 50.741 -12.983 -11.412 1.00 0.00 C ATOM 389 CD2 TYR A 28 50.394 -11.255 -13.076 1.00 0.00 C ATOM 390 CE1 TYR A 28 50.093 -13.909 -12.237 1.00 0.00 C ATOM 391 CE2 TYR A 28 49.746 -12.181 -13.902 1.00 0.00 C ATOM 392 CZ TYR A 28 49.595 -13.508 -13.482 1.00 0.00 C ATOM 393 OH TYR A 28 48.957 -14.421 -14.296 1.00 0.00 O ATOM 0 H TYR A 28 53.183 -9.179 -9.783 1.00 0.00 H new ATOM 0 HA TYR A 28 53.483 -11.694 -10.976 1.00 0.00 H new ATOM 0 HB2 TYR A 28 51.401 -10.889 -9.895 1.00 0.00 H new ATOM 0 HB3 TYR A 28 51.209 -9.656 -11.126 1.00 0.00 H new ATOM 0 HD1 TYR A 28 51.126 -13.293 -10.451 1.00 0.00 H new ATOM 0 HD2 TYR A 28 50.510 -10.231 -13.400 1.00 0.00 H new ATOM 0 HE1 TYR A 28 49.977 -14.933 -11.913 1.00 0.00 H new ATOM 0 HE2 TYR A 28 49.363 -11.872 -14.863 1.00 0.00 H new ATOM 0 HH TYR A 28 48.672 -13.979 -15.123 1.00 0.00 H new ATOM 403 N PHE A 29 53.237 -9.173 -13.100 1.00 0.00 N ATOM 404 CA PHE A 29 53.448 -8.801 -14.494 1.00 0.00 C ATOM 405 C PHE A 29 54.868 -9.134 -14.942 1.00 0.00 C ATOM 406 O PHE A 29 55.065 -9.779 -15.971 1.00 0.00 O ATOM 407 CB PHE A 29 53.192 -7.305 -14.675 1.00 0.00 C ATOM 408 CG PHE A 29 53.437 -6.926 -16.115 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.488 -7.244 -17.093 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.615 -6.257 -16.473 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.713 -6.891 -18.429 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.840 -5.905 -17.809 1.00 0.00 C ATOM 413 CZ PHE A 29 53.889 -6.222 -18.786 1.00 0.00 C ATOM 0 H PHE A 29 53.006 -8.395 -12.482 1.00 0.00 H new ATOM 0 HA PHE A 29 52.750 -9.371 -15.108 1.00 0.00 H new ATOM 0 HB2 PHE A 29 52.167 -7.063 -14.393 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.847 -6.731 -14.020 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.581 -7.762 -16.817 1.00 0.00 H new ATOM 0 HD2 PHE A 29 55.349 -6.013 -15.719 1.00 0.00 H new ATOM 0 HE1 PHE A 29 51.980 -7.135 -19.183 1.00 0.00 H new ATOM 0 HE2 PHE A 29 55.747 -5.389 -18.086 1.00 0.00 H new ATOM 0 HZ PHE A 29 54.063 -5.950 -19.817 1.00 0.00 H new ATOM 423 N LEU A 30 55.854 -8.693 -14.166 1.00 0.00 N ATOM 424 CA LEU A 30 57.251 -8.955 -14.502 1.00 0.00 C ATOM 425 C LEU A 30 58.164 -8.508 -13.366 1.00 0.00 C ATOM 426 O LEU A 30 58.807 -7.461 -13.450 1.00 0.00 O ATOM 427 CB LEU A 30 57.625 -8.214 -15.793 1.00 0.00 C ATOM 428 CG LEU A 30 59.054 -8.575 -16.227 1.00 0.00 C ATOM 429 CD1 LEU A 30 59.145 -10.071 -16.586 1.00 0.00 C ATOM 430 CD2 LEU A 30 59.430 -7.727 -17.448 1.00 0.00 C ATOM 0 H LEU A 30 55.715 -8.158 -13.309 1.00 0.00 H new ATOM 0 HA LEU A 30 57.379 -10.027 -14.652 1.00 0.00 H new ATOM 0 HB2 LEU A 30 56.922 -8.473 -16.585 1.00 0.00 H new ATOM 0 HB3 LEU A 30 57.547 -7.138 -15.637 1.00 0.00 H new ATOM 0 HG LEU A 30 59.742 -8.374 -15.406 1.00 0.00 H new ATOM 0 HD11 LEU A 30 60.164 -10.311 -16.891 1.00 0.00 H new ATOM 0 HD12 LEU A 30 58.876 -10.671 -15.716 1.00 0.00 H new ATOM 0 HD13 LEU A 30 58.460 -10.291 -17.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 60.443 -7.975 -17.765 1.00 0.00 H new ATOM 0 HD22 LEU A 30 58.735 -7.932 -18.262 1.00 0.00 H new ATOM 0 HD23 LEU A 30 59.380 -6.670 -17.186 1.00 0.00 H new ATOM 442 N GLY A 31 58.215 -9.306 -12.306 1.00 0.00 N ATOM 443 CA GLY A 31 59.052 -8.983 -11.157 1.00 0.00 C ATOM 444 C GLY A 31 60.527 -9.179 -11.484 1.00 0.00 C ATOM 445 O GLY A 31 60.877 -9.927 -12.397 1.00 0.00 O ATOM 0 H GLY A 31 57.690 -10.176 -12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 31 58.877 -7.951 -10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 31 58.776 -9.614 -10.312 1.00 0.00 H new ATOM 449 N ARG A 32 61.389 -8.502 -10.732 1.00 0.00 N ATOM 450 CA ARG A 32 62.828 -8.609 -10.950 1.00 0.00 C ATOM 451 C ARG A 32 63.360 -9.914 -10.367 1.00 0.00 C ATOM 452 O ARG A 32 62.887 -10.381 -9.330 1.00 0.00 O ATOM 453 CB ARG A 32 63.545 -7.428 -10.294 1.00 0.00 C ATOM 454 CG ARG A 32 63.204 -6.140 -11.046 1.00 0.00 C ATOM 455 CD ARG A 32 63.910 -4.958 -10.378 1.00 0.00 C ATOM 456 NE ARG A 32 63.586 -3.716 -11.072 1.00 0.00 N ATOM 457 CZ ARG A 32 64.139 -3.419 -12.242 1.00 0.00 C ATOM 458 NH1 ARG A 32 64.986 -4.245 -12.793 1.00 0.00 N ATOM 459 NH2 ARG A 32 63.838 -2.299 -12.841 1.00 0.00 N ATOM 0 H ARG A 32 61.119 -7.878 -9.972 1.00 0.00 H new ATOM 0 HA ARG A 32 63.016 -8.598 -12.024 1.00 0.00 H new ATOM 0 HB2 ARG A 32 63.245 -7.342 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 32 64.622 -7.593 -10.304 1.00 0.00 H new ATOM 0 HG2 ARG A 32 63.514 -6.221 -12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 32 62.126 -5.981 -11.046 1.00 0.00 H new ATOM 0 HD2 ARG A 32 63.607 -4.888 -9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 32 64.988 -5.117 -10.388 1.00 0.00 H new ATOM 0 HE ARG A 32 62.923 -3.065 -10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 32 65.224 -5.119 -12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 32 65.410 -4.016 -13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 32 63.178 -1.652 -12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 32 64.263 -2.071 -13.740 1.00 0.00 H new ATOM 473 N LEU A 33 64.344 -10.500 -11.041 1.00 0.00 N ATOM 474 CA LEU A 33 64.936 -11.754 -10.583 1.00 0.00 C ATOM 475 C LEU A 33 65.959 -11.488 -9.483 1.00 0.00 C ATOM 476 CB LEU A 33 65.606 -12.470 -11.764 1.00 0.00 C ATOM 477 CG LEU A 33 66.382 -13.704 -11.280 1.00 0.00 C ATOM 478 CD1 LEU A 33 65.470 -14.607 -10.440 1.00 0.00 C ATOM 479 CD2 LEU A 33 66.887 -14.482 -12.499 1.00 0.00 C ATOM 0 H LEU A 33 64.747 -10.130 -11.902 1.00 0.00 H new ATOM 0 HA LEU A 33 64.149 -12.390 -10.177 1.00 0.00 H new ATOM 0 HB2 LEU A 33 64.850 -12.771 -12.490 1.00 0.00 H new ATOM 0 HB3 LEU A 33 66.283 -11.785 -12.274 1.00 0.00 H new ATOM 0 HG LEU A 33 67.223 -13.384 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 33 66.031 -15.478 -10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 33 65.106 -14.053 -9.575 1.00 0.00 H new ATOM 0 HD13 LEU A 33 64.624 -14.933 -11.045 1.00 0.00 H new ATOM 0 HD21 LEU A 33 67.440 -15.361 -12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 33 66.039 -14.796 -13.107 1.00 0.00 H new ATOM 0 HD23 LEU A 33 67.542 -13.844 -13.092 1.00 0.00 H new TER 491 LEU A 33 ATOM 492 N CYS B 1 34.651 12.976 27.627 1.00 0.00 N ATOM 493 CA CYS B 1 34.272 13.133 26.194 1.00 0.00 C ATOM 494 C CYS B 1 33.914 11.771 25.612 1.00 0.00 C ATOM 495 O CYS B 1 34.098 10.740 26.260 1.00 0.00 O ATOM 496 CB CYS B 1 35.448 13.737 25.423 1.00 0.00 C ATOM 497 SG CYS B 1 34.913 14.158 23.746 1.00 0.00 S ATOM 0 H1 CYS B 1 33.898 13.365 28.230 1.00 0.00 H new ATOM 0 H2 CYS B 1 34.781 11.967 27.843 1.00 0.00 H new ATOM 0 H3 CYS B 1 35.539 13.486 27.809 1.00 0.00 H new ATOM 0 HA CYS B 1 33.410 13.795 26.111 1.00 0.00 H new ATOM 0 HB2 CYS B 1 35.814 14.627 25.934 1.00 0.00 H new ATOM 0 HB3 CYS B 1 36.275 13.028 25.386 1.00 0.00 H new ATOM 501 N SER B 2 33.404 11.774 24.385 1.00 0.00 N ATOM 502 CA SER B 2 33.024 10.532 23.723 1.00 0.00 C ATOM 503 C SER B 2 34.240 9.628 23.543 1.00 0.00 C ATOM 504 O SER B 2 34.165 8.420 23.770 1.00 0.00 O ATOM 505 CB SER B 2 32.407 10.834 22.357 1.00 0.00 C ATOM 506 OG SER B 2 32.303 9.628 21.612 1.00 0.00 O ATOM 0 H SER B 2 33.245 12.616 23.832 1.00 0.00 H new ATOM 0 HA SER B 2 32.291 10.020 24.347 1.00 0.00 H new ATOM 0 HB2 SER B 2 31.422 11.284 22.481 1.00 0.00 H new ATOM 0 HB3 SER B 2 33.022 11.556 21.819 1.00 0.00 H new ATOM 0 HG SER B 2 31.906 9.818 20.736 1.00 0.00 H new ATOM 512 N THR B 3 35.356 10.220 23.133 1.00 0.00 N ATOM 513 CA THR B 3 36.581 9.459 22.926 1.00 0.00 C ATOM 514 C THR B 3 36.317 8.257 22.023 1.00 0.00 C ATOM 515 O THR B 3 35.874 7.206 22.485 1.00 0.00 O ATOM 516 CB THR B 3 37.132 8.976 24.271 1.00 0.00 C ATOM 517 OG1 THR B 3 37.486 10.100 25.065 1.00 0.00 O ATOM 518 CG2 THR B 3 38.366 8.106 24.036 1.00 0.00 C ATOM 0 H THR B 3 35.437 11.218 22.939 1.00 0.00 H new ATOM 0 HA THR B 3 37.313 10.109 22.446 1.00 0.00 H new ATOM 0 HB THR B 3 36.372 8.390 24.787 1.00 0.00 H new ATOM 0 HG1 THR B 3 37.837 9.794 25.927 1.00 0.00 H new ATOM 0 HG21 THR B 3 38.757 7.763 24.994 1.00 0.00 H new ATOM 0 HG22 THR B 3 38.093 7.245 23.426 1.00 0.00 H new ATOM 0 HG23 THR B 3 39.129 8.689 23.520 1.00 0.00 H new ATOM 526 N VAL B 4 36.590 8.422 20.732 1.00 0.00 N ATOM 527 CA VAL B 4 36.377 7.344 19.774 1.00 0.00 C ATOM 528 C VAL B 4 37.316 6.177 20.059 1.00 0.00 C ATOM 529 O VAL B 4 37.966 6.132 21.104 1.00 0.00 O ATOM 530 CB VAL B 4 36.612 7.856 18.352 1.00 0.00 C ATOM 531 CG1 VAL B 4 35.484 8.812 17.961 1.00 0.00 C ATOM 532 CG2 VAL B 4 37.950 8.596 18.292 1.00 0.00 C ATOM 0 H VAL B 4 36.956 9.284 20.328 1.00 0.00 H new ATOM 0 HA VAL B 4 35.348 6.997 19.870 1.00 0.00 H new ATOM 0 HB VAL B 4 36.630 7.013 17.661 1.00 0.00 H new ATOM 0 HG11 VAL B 4 35.651 9.177 16.948 1.00 0.00 H new ATOM 0 HG12 VAL B 4 34.530 8.286 18.005 1.00 0.00 H new ATOM 0 HG13 VAL B 4 35.466 9.655 18.652 1.00 0.00 H new ATOM 0 HG21 VAL B 4 38.119 8.961 17.279 1.00 0.00 H new ATOM 0 HG22 VAL B 4 37.931 9.439 18.983 1.00 0.00 H new ATOM 0 HG23 VAL B 4 38.755 7.916 18.571 1.00 0.00 H new ATOM 542 N SER B 5 37.379 5.232 19.126 1.00 0.00 N ATOM 543 CA SER B 5 38.241 4.067 19.290 1.00 0.00 C ATOM 544 C SER B 5 38.513 3.403 17.942 1.00 0.00 C ATOM 545 O SER B 5 38.147 2.248 17.726 1.00 0.00 O ATOM 546 CB SER B 5 37.580 3.060 20.229 1.00 0.00 C ATOM 547 OG SER B 5 38.521 2.051 20.573 1.00 0.00 O ATOM 0 H SER B 5 36.848 5.249 18.255 1.00 0.00 H new ATOM 0 HA SER B 5 39.188 4.398 19.716 1.00 0.00 H new ATOM 0 HB2 SER B 5 37.224 3.563 21.128 1.00 0.00 H new ATOM 0 HB3 SER B 5 36.710 2.613 19.748 1.00 0.00 H new ATOM 0 HG SER B 5 38.101 1.404 21.177 1.00 0.00 H new ATOM 553 N PRO B 6 39.144 4.108 17.038 1.00 0.00 N ATOM 554 CA PRO B 6 39.470 3.569 15.685 1.00 0.00 C ATOM 555 C PRO B 6 40.615 2.556 15.744 1.00 0.00 C ATOM 556 O PRO B 6 41.619 2.692 15.045 1.00 0.00 O ATOM 557 CB PRO B 6 39.856 4.825 14.890 1.00 0.00 C ATOM 558 CG PRO B 6 40.397 5.772 15.912 1.00 0.00 C ATOM 559 CD PRO B 6 39.620 5.494 17.205 1.00 0.00 C ATOM 0 HA PRO B 6 38.643 3.022 15.233 1.00 0.00 H new ATOM 0 HB2 PRO B 6 40.601 4.597 14.128 1.00 0.00 H new ATOM 0 HB3 PRO B 6 38.993 5.248 14.376 1.00 0.00 H new ATOM 0 HG2 PRO B 6 41.466 5.617 16.059 1.00 0.00 H new ATOM 0 HG3 PRO B 6 40.265 6.806 15.593 1.00 0.00 H new ATOM 0 HD2 PRO B 6 40.257 5.595 18.084 1.00 0.00 H new ATOM 0 HD3 PRO B 6 38.790 6.190 17.331 1.00 0.00 H new ATOM 567 N GLY B 7 40.453 1.545 16.592 1.00 0.00 N ATOM 568 CA GLY B 7 41.473 0.515 16.746 1.00 0.00 C ATOM 569 C GLY B 7 41.658 -0.275 15.456 1.00 0.00 C ATOM 570 O GLY B 7 42.784 -0.505 15.017 1.00 0.00 O ATOM 0 H GLY B 7 39.629 1.418 17.180 1.00 0.00 H new ATOM 0 HA2 GLY B 7 42.418 0.976 17.032 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.191 -0.162 17.553 1.00 0.00 H new ATOM 574 N VAL B 8 40.551 -0.689 14.852 1.00 0.00 N ATOM 575 CA VAL B 8 40.617 -1.451 13.611 1.00 0.00 C ATOM 576 C VAL B 8 41.240 -0.602 12.499 1.00 0.00 C ATOM 577 O VAL B 8 42.103 -1.072 11.759 1.00 0.00 O ATOM 578 CB VAL B 8 39.207 -1.932 13.217 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.195 -0.803 13.412 1.00 0.00 C ATOM 580 CG2 VAL B 8 39.188 -2.381 11.748 1.00 0.00 C ATOM 0 H VAL B 8 39.607 -0.513 15.196 1.00 0.00 H new ATOM 0 HA VAL B 8 41.250 -2.326 13.760 1.00 0.00 H new ATOM 0 HB VAL B 8 38.940 -2.775 13.854 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.201 -1.152 13.131 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.189 -0.496 14.458 1.00 0.00 H new ATOM 0 HG13 VAL B 8 38.472 0.046 12.786 1.00 0.00 H new ATOM 0 HG21 VAL B 8 38.186 -2.718 11.484 1.00 0.00 H new ATOM 0 HG22 VAL B 8 39.470 -1.545 11.108 1.00 0.00 H new ATOM 0 HG23 VAL B 8 39.895 -3.199 11.608 1.00 0.00 H new ATOM 590 N LEU B 9 40.805 0.649 12.394 1.00 0.00 N ATOM 591 CA LEU B 9 41.330 1.550 11.374 1.00 0.00 C ATOM 592 C LEU B 9 42.842 1.752 11.570 1.00 0.00 C ATOM 593 O LEU B 9 43.633 1.595 10.630 1.00 0.00 O ATOM 594 CB LEU B 9 40.582 2.900 11.457 1.00 0.00 C ATOM 595 CG LEU B 9 39.402 2.967 10.457 1.00 0.00 C ATOM 596 CD1 LEU B 9 39.898 2.840 8.994 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.392 1.855 10.779 1.00 0.00 C ATOM 0 H LEU B 9 40.094 1.061 12.999 1.00 0.00 H new ATOM 0 HA LEU B 9 41.174 1.116 10.386 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.208 3.046 12.470 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.278 3.714 11.253 1.00 0.00 H new ATOM 0 HG LEU B 9 38.916 3.938 10.558 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.046 2.891 8.315 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.588 3.654 8.772 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.409 1.886 8.865 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.561 1.903 10.075 1.00 0.00 H new ATOM 0 HD22 LEU B 9 38.881 0.884 10.698 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.016 1.988 11.793 1.00 0.00 H new ATOM 609 N ALA B 10 43.241 2.079 12.795 1.00 0.00 N ATOM 610 CA ALA B 10 44.654 2.273 13.089 1.00 0.00 C ATOM 611 C ALA B 10 45.421 1.012 12.717 1.00 0.00 C ATOM 612 O ALA B 10 46.542 1.055 12.203 1.00 0.00 O ATOM 613 CB ALA B 10 44.843 2.567 14.579 1.00 0.00 C ATOM 0 H ALA B 10 42.615 2.213 13.589 1.00 0.00 H new ATOM 0 HA ALA B 10 45.030 3.117 12.511 1.00 0.00 H new ATOM 0 HB1 ALA B 10 45.903 2.711 14.790 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.294 3.471 14.844 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.467 1.729 15.166 1.00 0.00 H new ATOM 619 N GLY B 11 44.787 -0.119 12.968 1.00 0.00 N ATOM 620 CA GLY B 11 45.392 -1.401 12.652 1.00 0.00 C ATOM 621 C GLY B 11 45.631 -1.508 11.156 1.00 0.00 C ATOM 622 O GLY B 11 46.633 -2.070 10.707 1.00 0.00 O ATOM 0 H GLY B 11 43.859 -0.177 13.387 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.335 -1.509 13.188 1.00 0.00 H new ATOM 0 HA3 GLY B 11 44.742 -2.211 12.984 1.00 0.00 H new ATOM 626 N ILE B 12 44.705 -0.962 10.380 1.00 0.00 N ATOM 627 CA ILE B 12 44.839 -1.012 8.938 1.00 0.00 C ATOM 628 C ILE B 12 46.034 -0.192 8.464 1.00 0.00 C ATOM 629 O ILE B 12 46.768 -0.656 7.602 1.00 0.00 O ATOM 630 CB ILE B 12 43.553 -0.553 8.252 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.460 -1.599 8.509 1.00 0.00 C ATOM 632 CG2 ILE B 12 43.792 -0.422 6.742 1.00 0.00 C ATOM 633 CD1 ILE B 12 41.108 -1.064 8.041 1.00 0.00 C ATOM 0 H ILE B 12 43.868 -0.488 10.720 1.00 0.00 H new ATOM 0 HA ILE B 12 45.018 -2.050 8.658 1.00 0.00 H new ATOM 0 HB ILE B 12 43.245 0.415 8.649 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.698 -2.523 7.982 1.00 0.00 H new ATOM 0 HG13 ILE B 12 42.418 -1.840 9.571 1.00 0.00 H new ATOM 0 HG21 ILE B 12 42.873 -0.095 6.255 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.579 0.309 6.560 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.093 -1.388 6.336 1.00 0.00 H new ATOM 0 HD11 ILE B 12 40.337 -1.812 8.226 1.00 0.00 H new ATOM 0 HD12 ILE B 12 40.868 -0.152 8.588 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.153 -0.846 6.974 1.00 0.00 H new ATOM 645 N VAL B 13 46.256 1.011 9.009 1.00 0.00 N ATOM 646 CA VAL B 13 47.421 1.784 8.555 1.00 0.00 C ATOM 647 C VAL B 13 48.683 0.983 8.842 1.00 0.00 C ATOM 648 O VAL B 13 49.604 0.932 8.014 1.00 0.00 O ATOM 649 CB VAL B 13 47.484 3.200 9.180 1.00 0.00 C ATOM 650 CG1 VAL B 13 46.064 3.729 9.413 1.00 0.00 C ATOM 651 CG2 VAL B 13 48.262 3.196 10.509 1.00 0.00 C ATOM 0 H VAL B 13 45.680 1.453 9.726 1.00 0.00 H new ATOM 0 HA VAL B 13 47.329 1.948 7.481 1.00 0.00 H new ATOM 0 HB VAL B 13 48.010 3.852 8.483 1.00 0.00 H new ATOM 0 HG11 VAL B 13 46.114 4.725 9.853 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.534 3.779 8.462 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.533 3.060 10.090 1.00 0.00 H new ATOM 0 HG21 VAL B 13 48.286 4.206 10.919 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.770 2.528 11.217 1.00 0.00 H new ATOM 0 HG23 VAL B 13 49.281 2.851 10.333 1.00 0.00 H new ATOM 661 N VAL B 14 48.712 0.305 9.990 1.00 0.00 N ATOM 662 CA VAL B 14 49.861 -0.527 10.293 1.00 0.00 C ATOM 663 C VAL B 14 49.996 -1.532 9.156 1.00 0.00 C ATOM 664 O VAL B 14 51.094 -1.883 8.725 1.00 0.00 O ATOM 665 CB VAL B 14 49.684 -1.253 11.627 1.00 0.00 C ATOM 666 CG1 VAL B 14 50.868 -2.194 11.857 1.00 0.00 C ATOM 667 CG2 VAL B 14 49.627 -0.225 12.757 1.00 0.00 C ATOM 0 H VAL B 14 47.978 0.317 10.698 1.00 0.00 H new ATOM 0 HA VAL B 14 50.757 0.087 10.384 1.00 0.00 H new ATOM 0 HB VAL B 14 48.760 -1.830 11.608 1.00 0.00 H new ATOM 0 HG11 VAL B 14 50.742 -2.712 12.808 1.00 0.00 H new ATOM 0 HG12 VAL B 14 50.914 -2.925 11.049 1.00 0.00 H new ATOM 0 HG13 VAL B 14 51.793 -1.617 11.878 1.00 0.00 H new ATOM 0 HG21 VAL B 14 49.501 -0.739 13.710 1.00 0.00 H new ATOM 0 HG22 VAL B 14 50.554 0.349 12.774 1.00 0.00 H new ATOM 0 HG23 VAL B 14 48.786 0.449 12.594 1.00 0.00 H new ATOM 677 N GLY B 15 48.842 -1.959 8.658 1.00 0.00 N ATOM 678 CA GLY B 15 48.791 -2.893 7.546 1.00 0.00 C ATOM 679 C GLY B 15 49.219 -2.214 6.240 1.00 0.00 C ATOM 680 O GLY B 15 49.661 -2.874 5.305 1.00 0.00 O ATOM 0 H GLY B 15 47.929 -1.671 9.009 1.00 0.00 H new ATOM 0 HA2 GLY B 15 49.443 -3.742 7.749 1.00 0.00 H new ATOM 0 HA3 GLY B 15 47.779 -3.285 7.442 1.00 0.00 H new ATOM 684 N ASP B 16 49.057 -0.893 6.170 1.00 0.00 N ATOM 685 CA ASP B 16 49.399 -0.157 4.956 1.00 0.00 C ATOM 686 C ASP B 16 50.902 -0.123 4.721 1.00 0.00 C ATOM 687 O ASP B 16 51.386 -0.622 3.698 1.00 0.00 O ATOM 688 CB ASP B 16 48.862 1.275 5.034 1.00 0.00 C ATOM 689 CG ASP B 16 49.239 2.048 3.777 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.420 2.277 3.578 1.00 0.00 O ATOM 691 OD2 ASP B 16 48.340 2.407 3.032 1.00 0.00 O ATOM 0 H ASP B 16 48.695 -0.317 6.930 1.00 0.00 H new ATOM 0 HA ASP B 16 48.936 -0.679 4.119 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.778 1.259 5.148 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.268 1.776 5.913 1.00 0.00 H new ATOM 696 N LEU B 17 51.656 0.458 5.653 1.00 0.00 N ATOM 697 CA LEU B 17 53.101 0.518 5.459 1.00 0.00 C ATOM 698 C LEU B 17 53.714 -0.875 5.592 1.00 0.00 C ATOM 699 O LEU B 17 54.763 -1.148 5.008 1.00 0.00 O ATOM 700 CB LEU B 17 53.773 1.593 6.354 1.00 0.00 C ATOM 701 CG LEU B 17 53.989 1.153 7.812 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.666 0.694 8.422 1.00 0.00 C ATOM 703 CD2 LEU B 17 55.062 0.042 7.912 1.00 0.00 C ATOM 0 H LEU B 17 51.308 0.877 6.515 1.00 0.00 H new ATOM 0 HA LEU B 17 53.300 0.851 4.440 1.00 0.00 H new ATOM 0 HB2 LEU B 17 54.737 1.860 5.920 1.00 0.00 H new ATOM 0 HB3 LEU B 17 53.159 2.493 6.345 1.00 0.00 H new ATOM 0 HG LEU B 17 54.355 2.009 8.378 1.00 0.00 H new ATOM 0 HD11 LEU B 17 52.829 0.384 9.454 1.00 0.00 H new ATOM 0 HD12 LEU B 17 51.950 1.516 8.398 1.00 0.00 H new ATOM 0 HD13 LEU B 17 52.273 -0.146 7.849 1.00 0.00 H new ATOM 0 HD21 LEU B 17 55.191 -0.247 8.955 1.00 0.00 H new ATOM 0 HD22 LEU B 17 54.744 -0.825 7.332 1.00 0.00 H new ATOM 0 HD23 LEU B 17 56.008 0.414 7.519 1.00 0.00 H new ATOM 715 N VAL B 18 53.042 -1.779 6.316 1.00 0.00 N ATOM 716 CA VAL B 18 53.546 -3.145 6.434 1.00 0.00 C ATOM 717 C VAL B 18 53.489 -3.826 5.062 1.00 0.00 C ATOM 718 O VAL B 18 54.436 -4.495 4.662 1.00 0.00 O ATOM 719 CB VAL B 18 52.714 -3.950 7.455 1.00 0.00 C ATOM 720 CG1 VAL B 18 52.885 -5.460 7.222 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.173 -3.621 8.882 1.00 0.00 C ATOM 0 H VAL B 18 52.172 -1.594 6.815 1.00 0.00 H new ATOM 0 HA VAL B 18 54.577 -3.111 6.786 1.00 0.00 H new ATOM 0 HB VAL B 18 51.666 -3.678 7.326 1.00 0.00 H new ATOM 0 HG11 VAL B 18 52.291 -6.010 7.952 1.00 0.00 H new ATOM 0 HG12 VAL B 18 52.550 -5.713 6.216 1.00 0.00 H new ATOM 0 HG13 VAL B 18 53.936 -5.729 7.333 1.00 0.00 H new ATOM 0 HG21 VAL B 18 52.581 -4.193 9.596 1.00 0.00 H new ATOM 0 HG22 VAL B 18 54.226 -3.880 8.994 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.039 -2.556 9.071 1.00 0.00 H new ATOM 731 N LEU B 19 52.367 -3.665 4.353 1.00 0.00 N ATOM 732 CA LEU B 19 52.211 -4.286 3.035 1.00 0.00 C ATOM 733 C LEU B 19 53.231 -3.734 2.046 1.00 0.00 C ATOM 734 O LEU B 19 53.897 -4.493 1.343 1.00 0.00 O ATOM 735 CB LEU B 19 50.802 -4.029 2.477 1.00 0.00 C ATOM 736 CG LEU B 19 49.758 -4.902 3.192 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.365 -4.311 2.946 1.00 0.00 C ATOM 738 CD2 LEU B 19 49.786 -6.342 2.647 1.00 0.00 C ATOM 0 H LEU B 19 51.564 -3.118 4.664 1.00 0.00 H new ATOM 0 HA LEU B 19 52.369 -5.357 3.161 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.545 -2.977 2.598 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.787 -4.240 1.408 1.00 0.00 H new ATOM 0 HG LEU B 19 49.988 -4.922 4.257 1.00 0.00 H new ATOM 0 HD11 LEU B 19 47.616 -4.923 3.449 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.326 -3.295 3.338 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.161 -4.295 1.875 1.00 0.00 H new ATOM 0 HD21 LEU B 19 49.039 -6.942 3.167 1.00 0.00 H new ATOM 0 HD22 LEU B 19 49.564 -6.332 1.580 1.00 0.00 H new ATOM 0 HD23 LEU B 19 50.774 -6.773 2.808 1.00 0.00 H new ATOM 750 N THR B 20 53.334 -2.410 1.976 1.00 0.00 N ATOM 751 CA THR B 20 54.262 -1.788 1.038 1.00 0.00 C ATOM 752 C THR B 20 55.688 -2.283 1.259 1.00 0.00 C ATOM 753 O THR B 20 56.372 -2.690 0.316 1.00 0.00 O ATOM 754 CB THR B 20 54.229 -0.267 1.202 1.00 0.00 C ATOM 755 OG1 THR B 20 52.882 0.178 1.248 1.00 0.00 O ATOM 756 CG2 THR B 20 54.943 0.382 0.018 1.00 0.00 C ATOM 0 H THR B 20 52.797 -1.757 2.547 1.00 0.00 H new ATOM 0 HA THR B 20 53.950 -2.062 0.030 1.00 0.00 H new ATOM 0 HB THR B 20 54.731 0.012 2.129 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.863 1.152 1.355 1.00 0.00 H new ATOM 0 HG21 THR B 20 54.922 1.466 0.130 1.00 0.00 H new ATOM 0 HG22 THR B 20 55.978 0.040 -0.015 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.440 0.103 -0.908 1.00 0.00 H new ATOM 764 N VAL B 21 56.139 -2.227 2.504 1.00 0.00 N ATOM 765 CA VAL B 21 57.494 -2.646 2.840 1.00 0.00 C ATOM 766 C VAL B 21 57.692 -4.149 2.665 1.00 0.00 C ATOM 767 O VAL B 21 58.722 -4.581 2.166 1.00 0.00 O ATOM 768 CB VAL B 21 57.805 -2.256 4.287 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.190 -2.778 4.681 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.780 -0.732 4.420 1.00 0.00 C ATOM 0 H VAL B 21 55.589 -1.897 3.297 1.00 0.00 H new ATOM 0 HA VAL B 21 58.175 -2.141 2.155 1.00 0.00 H new ATOM 0 HB VAL B 21 57.055 -2.695 4.945 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.405 -2.497 5.712 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.209 -3.864 4.589 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.943 -2.345 4.022 1.00 0.00 H new ATOM 0 HG21 VAL B 21 58.001 -0.453 5.450 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.528 -0.297 3.757 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.793 -0.359 4.147 1.00 0.00 H new ATOM 780 N LEU B 22 56.722 -4.938 3.106 1.00 0.00 N ATOM 781 CA LEU B 22 56.829 -6.395 3.022 1.00 0.00 C ATOM 782 C LEU B 22 57.036 -6.872 1.584 1.00 0.00 C ATOM 783 O LEU B 22 58.021 -7.554 1.285 1.00 0.00 O ATOM 784 CB LEU B 22 55.559 -7.031 3.602 1.00 0.00 C ATOM 785 CG LEU B 22 55.575 -8.557 3.419 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.857 -9.147 4.021 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.355 -9.157 4.128 1.00 0.00 C ATOM 0 H LEU B 22 55.855 -4.600 3.524 1.00 0.00 H new ATOM 0 HA LEU B 22 57.702 -6.702 3.598 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.478 -6.789 4.662 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.681 -6.611 3.111 1.00 0.00 H new ATOM 0 HG LEU B 22 55.543 -8.794 2.356 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.858 -10.229 3.886 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.725 -8.718 3.520 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.900 -8.914 5.085 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.358 -10.240 4.003 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.395 -8.914 5.190 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.443 -8.745 3.695 1.00 0.00 H new ATOM 799 N ILE B 23 56.111 -6.529 0.697 1.00 0.00 N ATOM 800 CA ILE B 23 56.229 -6.957 -0.689 1.00 0.00 C ATOM 801 C ILE B 23 57.464 -6.317 -1.323 1.00 0.00 C ATOM 802 O ILE B 23 58.216 -6.980 -2.041 1.00 0.00 O ATOM 803 CB ILE B 23 54.958 -6.604 -1.467 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.739 -7.105 -0.684 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.991 -7.299 -2.833 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.457 -6.778 -1.453 1.00 0.00 C ATOM 0 H ILE B 23 55.286 -5.967 0.907 1.00 0.00 H new ATOM 0 HA ILE B 23 56.347 -8.040 -0.723 1.00 0.00 H new ATOM 0 HB ILE B 23 54.898 -5.524 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.814 -8.181 -0.526 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.712 -6.639 0.301 1.00 0.00 H new ATOM 0 HG21 ILE B 23 54.088 -7.050 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.865 -6.963 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE B 23 55.044 -8.378 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.594 -7.137 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.379 -5.699 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.483 -7.265 -2.428 1.00 0.00 H new ATOM 818 N ALA B 24 57.687 -5.035 -1.033 1.00 0.00 N ATOM 819 CA ALA B 24 58.857 -4.343 -1.562 1.00 0.00 C ATOM 820 C ALA B 24 60.124 -5.107 -1.174 1.00 0.00 C ATOM 821 O ALA B 24 61.115 -5.127 -1.911 1.00 0.00 O ATOM 822 CB ALA B 24 58.923 -2.922 -0.998 1.00 0.00 C ATOM 0 H ALA B 24 57.082 -4.464 -0.443 1.00 0.00 H new ATOM 0 HA ALA B 24 58.781 -4.293 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.799 -2.412 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA B 24 58.024 -2.375 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.993 -2.965 0.089 1.00 0.00 H new ATOM 828 N LEU B 25 60.078 -5.742 -0.006 1.00 0.00 N ATOM 829 CA LEU B 25 61.214 -6.514 0.481 1.00 0.00 C ATOM 830 C LEU B 25 61.378 -7.767 -0.371 1.00 0.00 C ATOM 831 O LEU B 25 62.488 -8.135 -0.745 1.00 0.00 O ATOM 832 CB LEU B 25 60.990 -6.905 1.960 1.00 0.00 C ATOM 833 CG LEU B 25 62.327 -7.023 2.721 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.298 -7.924 1.950 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.956 -5.630 2.931 1.00 0.00 C ATOM 0 H LEU B 25 59.270 -5.737 0.617 1.00 0.00 H new ATOM 0 HA LEU B 25 62.119 -5.910 0.411 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.359 -6.159 2.443 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.456 -7.854 2.010 1.00 0.00 H new ATOM 0 HG LEU B 25 62.129 -7.467 3.697 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.237 -7.999 2.498 1.00 0.00 H new ATOM 0 HD12 LEU B 25 62.863 -8.917 1.839 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.485 -7.498 0.965 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.898 -5.734 3.469 1.00 0.00 H new ATOM 0 HD22 LEU B 25 63.141 -5.164 1.963 1.00 0.00 H new ATOM 0 HD23 LEU B 25 62.274 -5.006 3.509 1.00 0.00 H new ATOM 847 N ALA B 26 60.256 -8.418 -0.665 1.00 0.00 N ATOM 848 CA ALA B 26 60.283 -9.634 -1.468 1.00 0.00 C ATOM 849 C ALA B 26 60.998 -9.390 -2.793 1.00 0.00 C ATOM 850 O ALA B 26 61.929 -10.116 -3.147 1.00 0.00 O ATOM 851 CB ALA B 26 58.856 -10.117 -1.735 1.00 0.00 C ATOM 0 H ALA B 26 59.326 -8.127 -0.362 1.00 0.00 H new ATOM 0 HA ALA B 26 60.827 -10.399 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.886 -11.026 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA B 26 58.359 -10.324 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA B 26 58.305 -9.345 -2.272 1.00 0.00 H new ATOM 857 N VAL B 27 60.564 -8.367 -3.528 1.00 0.00 N ATOM 858 CA VAL B 27 61.189 -8.061 -4.812 1.00 0.00 C ATOM 859 C VAL B 27 62.669 -7.740 -4.627 1.00 0.00 C ATOM 860 O VAL B 27 63.507 -8.177 -5.415 1.00 0.00 O ATOM 861 CB VAL B 27 60.485 -6.881 -5.483 1.00 0.00 C ATOM 862 CG1 VAL B 27 59.083 -7.307 -5.913 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.370 -5.723 -4.496 1.00 0.00 C ATOM 0 H VAL B 27 59.798 -7.748 -3.263 1.00 0.00 H new ATOM 0 HA VAL B 27 61.096 -8.939 -5.451 1.00 0.00 H new ATOM 0 HB VAL B 27 61.062 -6.565 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.579 -6.468 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.155 -8.137 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.514 -7.621 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.868 -4.884 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.794 -6.041 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.366 -5.416 -4.178 1.00 0.00 H new ATOM 873 N TYR B 28 62.988 -6.976 -3.586 1.00 0.00 N ATOM 874 CA TYR B 28 64.378 -6.615 -3.325 1.00 0.00 C ATOM 875 C TYR B 28 65.231 -7.868 -3.135 1.00 0.00 C ATOM 876 O TYR B 28 66.347 -7.954 -3.647 1.00 0.00 O ATOM 877 CB TYR B 28 64.469 -5.739 -2.074 1.00 0.00 C ATOM 878 CG TYR B 28 65.901 -5.304 -1.869 1.00 0.00 C ATOM 879 CD1 TYR B 28 66.783 -6.113 -1.141 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.347 -4.091 -2.407 1.00 0.00 C ATOM 881 CE1 TYR B 28 68.110 -5.709 -0.953 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.674 -3.687 -2.219 1.00 0.00 C ATOM 883 CZ TYR B 28 68.554 -4.495 -1.491 1.00 0.00 C ATOM 884 OH TYR B 28 69.863 -4.097 -1.305 1.00 0.00 O ATOM 0 H TYR B 28 62.315 -6.600 -2.919 1.00 0.00 H new ATOM 0 HA TYR B 28 64.754 -6.058 -4.183 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.824 -4.867 -2.180 1.00 0.00 H new ATOM 0 HB3 TYR B 28 64.117 -6.292 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR B 28 66.439 -7.048 -0.725 1.00 0.00 H new ATOM 0 HD2 TYR B 28 65.667 -3.467 -2.967 1.00 0.00 H new ATOM 0 HE1 TYR B 28 68.791 -6.333 -0.393 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.018 -2.752 -2.636 1.00 0.00 H new ATOM 0 HH TYR B 28 70.007 -3.232 -1.743 1.00 0.00 H new ATOM 894 N PHE B 29 64.696 -8.831 -2.394 1.00 0.00 N ATOM 895 CA PHE B 29 65.411 -10.077 -2.133 1.00 0.00 C ATOM 896 C PHE B 29 65.697 -10.821 -3.434 1.00 0.00 C ATOM 897 O PHE B 29 66.803 -11.319 -3.643 1.00 0.00 O ATOM 898 CB PHE B 29 64.582 -10.968 -1.207 1.00 0.00 C ATOM 899 CG PHE B 29 65.335 -12.251 -0.934 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.414 -12.251 -0.040 1.00 0.00 C ATOM 901 CD2 PHE B 29 64.955 -13.438 -1.572 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.110 -13.438 0.215 1.00 0.00 C ATOM 903 CE2 PHE B 29 65.653 -14.625 -1.316 1.00 0.00 C ATOM 904 CZ PHE B 29 66.731 -14.625 -0.422 1.00 0.00 C ATOM 0 H PHE B 29 63.773 -8.775 -1.964 1.00 0.00 H new ATOM 0 HA PHE B 29 66.360 -9.833 -1.655 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.378 -10.448 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.618 -11.190 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.708 -11.336 0.452 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.124 -13.438 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE B 29 67.941 -13.438 0.905 1.00 0.00 H new ATOM 0 HE2 PHE B 29 65.360 -15.541 -1.808 1.00 0.00 H new ATOM 0 HZ PHE B 29 67.269 -15.540 -0.224 1.00 0.00 H new ATOM 914 N LEU B 30 64.695 -10.896 -4.305 1.00 0.00 N ATOM 915 CA LEU B 30 64.860 -11.589 -5.578 1.00 0.00 C ATOM 916 C LEU B 30 65.986 -10.955 -6.390 1.00 0.00 C ATOM 917 O LEU B 30 66.797 -11.657 -6.994 1.00 0.00 O ATOM 918 CB LEU B 30 63.557 -11.532 -6.383 1.00 0.00 C ATOM 919 CG LEU B 30 62.443 -12.285 -5.639 1.00 0.00 C ATOM 920 CD1 LEU B 30 61.117 -12.066 -6.374 1.00 0.00 C ATOM 921 CD2 LEU B 30 62.762 -13.793 -5.577 1.00 0.00 C ATOM 0 H LEU B 30 63.771 -10.491 -4.156 1.00 0.00 H new ATOM 0 HA LEU B 30 65.113 -12.629 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU B 30 63.263 -10.494 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU B 30 63.709 -11.973 -7.368 1.00 0.00 H new ATOM 0 HG LEU B 30 62.370 -11.905 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU B 30 60.320 -12.597 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU B 30 60.887 -11.001 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU B 30 61.199 -12.444 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU B 30 61.964 -14.312 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU B 30 62.844 -14.190 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU B 30 63.705 -13.944 -5.051 1.00 0.00 H new ATOM 933 N GLY B 31 66.031 -9.628 -6.399 1.00 0.00 N ATOM 934 CA GLY B 31 67.067 -8.917 -7.141 1.00 0.00 C ATOM 935 C GLY B 31 68.392 -8.946 -6.388 1.00 0.00 C ATOM 936 O GLY B 31 68.452 -8.601 -5.206 1.00 0.00 O ATOM 0 H GLY B 31 65.370 -9.027 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY B 31 67.193 -9.371 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY B 31 66.759 -7.884 -7.304 1.00 0.00 H new ATOM 940 N ARG B 32 69.451 -9.360 -7.075 1.00 0.00 N ATOM 941 CA ARG B 32 70.770 -9.429 -6.457 1.00 0.00 C ATOM 942 C ARG B 32 71.320 -8.028 -6.209 1.00 0.00 C ATOM 943 O ARG B 32 71.921 -7.422 -7.096 1.00 0.00 O ATOM 944 CB ARG B 32 71.731 -10.208 -7.359 1.00 0.00 C ATOM 945 CG ARG B 32 73.086 -10.352 -6.660 1.00 0.00 C ATOM 946 CD ARG B 32 74.009 -11.228 -7.507 1.00 0.00 C ATOM 947 NE ARG B 32 75.317 -11.345 -6.871 1.00 0.00 N ATOM 948 CZ ARG B 32 75.518 -12.191 -5.866 1.00 0.00 C ATOM 949 NH1 ARG B 32 74.536 -12.932 -5.430 1.00 0.00 N ATOM 950 NH2 ARG B 32 76.697 -12.278 -5.314 1.00 0.00 N ATOM 0 H ARG B 32 69.423 -9.651 -8.052 1.00 0.00 H new ATOM 0 HA ARG B 32 70.676 -9.943 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG B 32 71.319 -11.192 -7.583 1.00 0.00 H new ATOM 0 HB3 ARG B 32 71.854 -9.690 -8.310 1.00 0.00 H new ATOM 0 HG2 ARG B 32 73.536 -9.370 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG B 32 72.952 -10.795 -5.673 1.00 0.00 H new ATOM 0 HD2 ARG B 32 73.568 -12.217 -7.634 1.00 0.00 H new ATOM 0 HD3 ARG B 32 74.118 -10.798 -8.503 1.00 0.00 H new ATOM 0 HE ARG B 32 76.090 -10.768 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG B 32 73.614 -12.862 -5.861 1.00 0.00 H new ATOM 0 HH12 ARG B 32 74.691 -13.581 -4.659 1.00 0.00 H new ATOM 0 HH21 ARG B 32 77.463 -11.697 -5.654 1.00 0.00 H new ATOM 0 HH22 ARG B 32 76.852 -12.927 -4.543 1.00 0.00 H new ATOM 964 N LEU B 33 71.112 -7.522 -4.998 1.00 0.00 N ATOM 965 CA LEU B 33 71.593 -6.190 -4.643 1.00 0.00 C ATOM 966 C LEU B 33 71.272 -5.194 -5.754 1.00 0.00 C ATOM 967 CB LEU B 33 73.109 -6.226 -4.403 1.00 0.00 C ATOM 968 CG LEU B 33 73.424 -6.862 -3.037 1.00 0.00 C ATOM 969 CD1 LEU B 33 72.973 -5.941 -1.884 1.00 0.00 C ATOM 970 CD2 LEU B 33 72.713 -8.218 -2.926 1.00 0.00 C ATOM 0 H LEU B 33 70.618 -8.009 -4.250 1.00 0.00 H new ATOM 0 HA LEU B 33 71.091 -5.872 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU B 33 73.595 -6.794 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU B 33 73.513 -5.215 -4.442 1.00 0.00 H new ATOM 0 HG LEU B 33 74.502 -7.004 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU B 33 73.206 -6.412 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU B 33 73.495 -4.987 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU B 33 71.898 -5.772 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU B 33 72.936 -8.668 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU B 33 71.637 -8.073 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU B 33 73.060 -8.877 -3.722 1.00 0.00 H new TER 982 LEU B 33