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+ -155:sc= 0.684 (180deg=0.274) USER MOD Single : A 2 SER OG : rot 180:sc= -0.396 USER MOD Single : A 3 THR OG1 : rot -28:sc= 0.354 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 CYS N :NH3+ -163:sc= 0.208 (180deg=-0.102) 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 -71:sc= 1.16 USER MOD Single : B 20 THR OG1 : rot 180:sc= -3.18! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 29.608 18.002 18.954 1.00 0.00 N ATOM 2 CA CYS A 1 30.867 17.473 19.548 1.00 0.00 C ATOM 3 C CYS A 1 31.524 16.509 18.565 1.00 0.00 C ATOM 4 O CYS A 1 31.349 15.294 18.662 1.00 0.00 O ATOM 5 CB CYS A 1 30.545 16.746 20.854 1.00 0.00 C ATOM 6 SG CYS A 1 29.218 15.548 20.566 1.00 0.00 S ATOM 0 H1 CYS A 1 29.384 18.924 19.379 1.00 0.00 H new ATOM 0 H2 CYS A 1 29.729 18.115 17.927 1.00 0.00 H new ATOM 0 H3 CYS A 1 28.830 17.337 19.140 1.00 0.00 H new ATOM 0 HA CYS A 1 31.551 18.296 19.755 1.00 0.00 H new ATOM 0 HB2 CYS A 1 31.434 16.238 21.228 1.00 0.00 H new ATOM 0 HB3 CYS A 1 30.243 17.463 21.617 1.00 0.00 H new ATOM 10 N SER A 2 32.281 17.059 17.620 1.00 0.00 N ATOM 11 CA SER A 2 32.962 16.240 16.620 1.00 0.00 C ATOM 12 C SER A 2 34.191 16.965 16.082 1.00 0.00 C ATOM 13 O SER A 2 34.076 18.006 15.435 1.00 0.00 O ATOM 14 CB SER A 2 32.008 15.925 15.467 1.00 0.00 C ATOM 15 OG SER A 2 30.740 15.557 15.993 1.00 0.00 O ATOM 0 H SER A 2 32.438 18.062 17.525 1.00 0.00 H new ATOM 0 HA SER A 2 33.280 15.311 17.093 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.906 16.794 14.816 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.410 15.116 14.858 1.00 0.00 H new ATOM 0 HG SER A 2 30.126 15.356 15.256 1.00 0.00 H new ATOM 21 N THR A 3 35.368 16.406 16.352 1.00 0.00 N ATOM 22 CA THR A 3 36.612 17.008 15.887 1.00 0.00 C ATOM 23 C THR A 3 37.763 16.013 15.993 1.00 0.00 C ATOM 24 O THR A 3 38.588 16.098 16.903 1.00 0.00 O ATOM 25 CB THR A 3 36.933 18.253 16.720 1.00 0.00 C ATOM 26 OG1 THR A 3 35.814 19.128 16.711 1.00 0.00 O ATOM 27 CG2 THR A 3 38.146 18.968 16.125 1.00 0.00 C ATOM 0 H THR A 3 35.485 15.545 16.886 1.00 0.00 H new ATOM 0 HA THR A 3 36.487 17.291 14.842 1.00 0.00 H new ATOM 0 HB THR A 3 37.155 17.957 17.745 1.00 0.00 H new ATOM 0 HG1 THR A 3 35.303 18.997 15.885 1.00 0.00 H new ATOM 0 HG21 THR A 3 38.374 19.854 16.718 1.00 0.00 H new ATOM 0 HG22 THR A 3 39.004 18.296 16.132 1.00 0.00 H new ATOM 0 HG23 THR A 3 37.926 19.265 15.099 1.00 0.00 H new ATOM 35 N VAL A 4 37.812 15.068 15.056 1.00 0.00 N ATOM 36 CA VAL A 4 38.866 14.053 15.045 1.00 0.00 C ATOM 37 C VAL A 4 39.253 13.707 13.609 1.00 0.00 C ATOM 38 O VAL A 4 40.353 13.219 13.352 1.00 0.00 O ATOM 39 CB VAL A 4 38.380 12.795 15.767 1.00 0.00 C ATOM 40 CG1 VAL A 4 39.536 11.802 15.922 1.00 0.00 C ATOM 41 CG2 VAL A 4 37.851 13.179 17.152 1.00 0.00 C ATOM 0 H VAL A 4 37.137 14.983 14.296 1.00 0.00 H new ATOM 0 HA VAL A 4 39.741 14.449 15.559 1.00 0.00 H new ATOM 0 HB VAL A 4 37.585 12.330 15.184 1.00 0.00 H new ATOM 0 HG11 VAL A 4 39.182 10.909 16.437 1.00 0.00 H new ATOM 0 HG12 VAL A 4 39.914 11.527 14.937 1.00 0.00 H new ATOM 0 HG13 VAL A 4 40.336 12.262 16.502 1.00 0.00 H new ATOM 0 HG21 VAL A 4 37.504 12.285 17.670 1.00 0.00 H new ATOM 0 HG22 VAL A 4 38.649 13.646 17.730 1.00 0.00 H new ATOM 0 HG23 VAL A 4 37.023 13.880 17.044 1.00 0.00 H new ATOM 51 N SER A 5 38.340 13.969 12.677 1.00 0.00 N ATOM 52 CA SER A 5 38.597 13.689 11.268 1.00 0.00 C ATOM 53 C SER A 5 39.023 12.236 11.071 1.00 0.00 C ATOM 54 O SER A 5 40.145 11.964 10.645 1.00 0.00 O ATOM 55 CB SER A 5 39.695 14.616 10.748 1.00 0.00 C ATOM 56 OG SER A 5 39.288 15.968 10.922 1.00 0.00 O ATOM 0 H SER A 5 37.423 14.372 12.870 1.00 0.00 H new ATOM 0 HA SER A 5 37.676 13.861 10.711 1.00 0.00 H new ATOM 0 HB2 SER A 5 40.626 14.432 11.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 39.888 14.415 9.694 1.00 0.00 H new ATOM 0 HG SER A 5 39.990 16.566 10.591 1.00 0.00 H new ATOM 62 N PRO A 6 38.153 11.305 11.370 1.00 0.00 N ATOM 63 CA PRO A 6 38.448 9.850 11.221 1.00 0.00 C ATOM 64 C PRO A 6 38.406 9.401 9.759 1.00 0.00 C ATOM 65 O PRO A 6 38.747 8.263 9.439 1.00 0.00 O ATOM 66 CB PRO A 6 37.342 9.181 12.048 1.00 0.00 C ATOM 67 CG PRO A 6 36.186 10.129 11.974 1.00 0.00 C ATOM 68 CD PRO A 6 36.791 11.537 11.885 1.00 0.00 C ATOM 0 HA PRO A 6 39.452 9.589 11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 6 37.080 8.204 11.642 1.00 0.00 H new ATOM 0 HB3 PRO A 6 37.659 9.023 13.079 1.00 0.00 H new ATOM 0 HG2 PRO A 6 35.564 9.917 11.104 1.00 0.00 H new ATOM 0 HG3 PRO A 6 35.548 10.034 12.853 1.00 0.00 H new ATOM 0 HD2 PRO A 6 36.215 12.178 11.217 1.00 0.00 H new ATOM 0 HD3 PRO A 6 36.810 12.026 12.859 1.00 0.00 H new ATOM 76 N GLY A 7 37.983 10.305 8.879 1.00 0.00 N ATOM 77 CA GLY A 7 37.898 9.994 7.456 1.00 0.00 C ATOM 78 C GLY A 7 39.272 9.672 6.874 1.00 0.00 C ATOM 79 O GLY A 7 39.394 8.857 5.958 1.00 0.00 O ATOM 0 H GLY A 7 37.696 11.252 9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.230 9.146 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.464 10.840 6.922 1.00 0.00 H new ATOM 83 N VAL A 8 40.306 10.313 7.407 1.00 0.00 N ATOM 84 CA VAL A 8 41.659 10.076 6.920 1.00 0.00 C ATOM 85 C VAL A 8 41.997 8.590 7.007 1.00 0.00 C ATOM 86 O VAL A 8 42.573 8.026 6.077 1.00 0.00 O ATOM 87 CB VAL A 8 42.667 10.902 7.726 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.556 10.557 9.213 1.00 0.00 C ATOM 89 CG2 VAL A 8 44.086 10.596 7.231 1.00 0.00 C ATOM 0 H VAL A 8 40.236 10.991 8.166 1.00 0.00 H new ATOM 0 HA VAL A 8 41.715 10.385 5.876 1.00 0.00 H new ATOM 0 HB VAL A 8 42.453 11.962 7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 8 43.276 11.149 9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.548 10.779 9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.765 9.497 9.357 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.805 11.182 7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 8 44.296 9.535 7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 8 44.166 10.853 6.175 1.00 0.00 H new ATOM 99 N LEU A 9 41.611 7.953 8.112 1.00 0.00 N ATOM 100 CA LEU A 9 41.866 6.523 8.282 1.00 0.00 C ATOM 101 C LEU A 9 41.240 5.754 7.108 1.00 0.00 C ATOM 102 O LEU A 9 41.896 4.922 6.470 1.00 0.00 O ATOM 103 CB LEU A 9 41.269 6.040 9.629 1.00 0.00 C ATOM 104 CG LEU A 9 42.350 5.956 10.732 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.441 4.921 10.362 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.985 7.337 10.939 1.00 0.00 C ATOM 0 H LEU A 9 41.127 8.397 8.893 1.00 0.00 H new ATOM 0 HA LEU A 9 42.940 6.339 8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.479 6.722 9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.809 5.061 9.494 1.00 0.00 H new ATOM 0 HG LEU A 9 41.875 5.632 11.658 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.189 4.882 11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.985 3.938 10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.918 5.214 9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.746 7.275 11.717 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.444 7.670 10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.217 8.049 11.240 1.00 0.00 H new ATOM 118 N ALA A 10 39.978 6.059 6.812 1.00 0.00 N ATOM 119 CA ALA A 10 39.294 5.411 5.699 1.00 0.00 C ATOM 120 C ALA A 10 40.147 5.557 4.446 1.00 0.00 C ATOM 121 O ALA A 10 40.255 4.648 3.615 1.00 0.00 O ATOM 122 CB ALA A 10 37.929 6.065 5.468 1.00 0.00 C ATOM 0 H ALA A 10 39.416 6.742 7.321 1.00 0.00 H new ATOM 0 HA ALA A 10 39.144 4.356 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.427 5.574 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.321 5.966 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 10 38.066 7.121 5.237 1.00 0.00 H new ATOM 128 N GLY A 11 40.770 6.718 4.334 1.00 0.00 N ATOM 129 CA GLY A 11 41.633 7.006 3.198 1.00 0.00 C ATOM 130 C GLY A 11 42.809 6.042 3.173 1.00 0.00 C ATOM 131 O GLY A 11 43.223 5.574 2.110 1.00 0.00 O ATOM 0 H GLY A 11 40.696 7.475 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 11 41.066 6.923 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.996 8.032 3.259 1.00 0.00 H new ATOM 135 N ILE A 12 43.343 5.745 4.351 1.00 0.00 N ATOM 136 CA ILE A 12 44.471 4.832 4.444 1.00 0.00 C ATOM 137 C ILE A 12 44.090 3.453 3.928 1.00 0.00 C ATOM 138 O ILE A 12 44.885 2.810 3.253 1.00 0.00 O ATOM 139 CB ILE A 12 44.971 4.714 5.887 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.317 6.107 6.446 1.00 0.00 C ATOM 141 CG2 ILE A 12 46.212 3.807 5.929 1.00 0.00 C ATOM 142 CD1 ILE A 12 46.318 6.830 5.535 1.00 0.00 C ATOM 0 H ILE A 12 43.018 6.118 5.243 1.00 0.00 H new ATOM 0 HA ILE A 12 45.272 5.239 3.827 1.00 0.00 H new ATOM 0 HB ILE A 12 44.184 4.277 6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.408 6.702 6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.736 6.008 7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.567 3.724 6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.952 2.817 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.998 4.236 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 12 46.546 7.811 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 12 47.234 6.244 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.886 6.949 4.542 1.00 0.00 H new ATOM 154 N VAL A 13 42.881 2.989 4.243 1.00 0.00 N ATOM 155 CA VAL A 13 42.476 1.666 3.766 1.00 0.00 C ATOM 156 C VAL A 13 42.436 1.671 2.246 1.00 0.00 C ATOM 157 O VAL A 13 42.911 0.734 1.606 1.00 0.00 O ATOM 158 CB VAL A 13 41.122 1.194 4.373 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.853 1.913 5.691 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.946 1.447 3.415 1.00 0.00 C ATOM 0 H VAL A 13 42.189 3.486 4.804 1.00 0.00 H new ATOM 0 HA VAL A 13 43.217 0.943 4.106 1.00 0.00 H new ATOM 0 HB VAL A 13 41.204 0.120 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.903 1.573 6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.655 1.693 6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.809 2.988 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.020 1.103 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.872 2.514 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.111 0.903 2.485 1.00 0.00 H new ATOM 170 N VAL A 14 41.904 2.736 1.657 1.00 0.00 N ATOM 171 CA VAL A 14 41.877 2.809 0.202 1.00 0.00 C ATOM 172 C VAL A 14 43.297 2.586 -0.313 1.00 0.00 C ATOM 173 O VAL A 14 43.530 1.822 -1.256 1.00 0.00 O ATOM 174 CB VAL A 14 41.365 4.177 -0.258 1.00 0.00 C ATOM 175 CG1 VAL A 14 41.429 4.259 -1.785 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.916 4.362 0.201 1.00 0.00 C ATOM 0 H VAL A 14 41.499 3.535 2.144 1.00 0.00 H new ATOM 0 HA VAL A 14 41.205 2.047 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 14 41.987 4.961 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.065 5.233 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.460 4.128 -2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.808 3.475 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.552 5.336 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.294 3.578 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.869 4.304 1.288 1.00 0.00 H new ATOM 186 N GLY A 15 44.245 3.249 0.342 1.00 0.00 N ATOM 187 CA GLY A 15 45.650 3.124 -0.020 1.00 0.00 C ATOM 188 C GLY A 15 46.163 1.704 0.226 1.00 0.00 C ATOM 189 O GLY A 15 47.039 1.226 -0.491 1.00 0.00 O ATOM 0 H GLY A 15 44.065 3.877 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.782 3.384 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 15 46.242 3.832 0.560 1.00 0.00 H new ATOM 193 N ASP A 16 45.623 1.039 1.245 1.00 0.00 N ATOM 194 CA ASP A 16 46.049 -0.320 1.574 1.00 0.00 C ATOM 195 C ASP A 16 45.763 -1.264 0.416 1.00 0.00 C ATOM 196 O ASP A 16 46.649 -1.989 -0.040 1.00 0.00 O ATOM 197 CB ASP A 16 45.324 -0.812 2.830 1.00 0.00 C ATOM 198 CG ASP A 16 45.830 -2.198 3.218 1.00 0.00 C ATOM 199 OD1 ASP A 16 45.956 -3.031 2.336 1.00 0.00 O ATOM 200 OD2 ASP A 16 46.083 -2.406 4.393 1.00 0.00 O ATOM 0 H ASP A 16 44.895 1.415 1.853 1.00 0.00 H new ATOM 0 HA ASP A 16 47.123 -0.306 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.487 -0.114 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.250 -0.846 2.649 1.00 0.00 H new ATOM 205 N LEU A 17 44.528 -1.244 -0.068 1.00 0.00 N ATOM 206 CA LEU A 17 44.155 -2.098 -1.184 1.00 0.00 C ATOM 207 C LEU A 17 45.001 -1.740 -2.400 1.00 0.00 C ATOM 208 O LEU A 17 45.416 -2.614 -3.161 1.00 0.00 O ATOM 209 CB LEU A 17 42.660 -1.929 -1.508 1.00 0.00 C ATOM 210 CG LEU A 17 41.817 -2.806 -0.575 1.00 0.00 C ATOM 211 CD1 LEU A 17 42.053 -2.388 0.877 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.335 -2.636 -0.919 1.00 0.00 C ATOM 0 H LEU A 17 43.777 -0.653 0.290 1.00 0.00 H new ATOM 0 HA LEU A 17 44.333 -3.139 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.372 -0.884 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.472 -2.203 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 17 42.105 -3.850 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.452 -3.013 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.108 -2.508 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.767 -1.344 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.734 -3.259 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.050 -1.592 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.165 -2.936 -1.953 1.00 0.00 H new ATOM 224 N VAL A 18 45.254 -0.446 -2.575 1.00 0.00 N ATOM 225 CA VAL A 18 46.055 0.016 -3.703 1.00 0.00 C ATOM 226 C VAL A 18 47.495 -0.505 -3.614 1.00 0.00 C ATOM 227 O VAL A 18 48.122 -0.759 -4.636 1.00 0.00 O ATOM 228 CB VAL A 18 46.058 1.549 -3.750 1.00 0.00 C ATOM 229 CG1 VAL A 18 47.048 2.038 -4.814 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.652 2.052 -4.097 1.00 0.00 C ATOM 0 H VAL A 18 44.920 0.294 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 18 45.608 -0.376 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 18 46.358 1.935 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 18 47.044 3.128 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 18 48.050 1.685 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.755 1.650 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.653 3.141 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.355 1.659 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.947 1.713 -3.338 1.00 0.00 H new ATOM 240 N LEU A 19 48.019 -0.651 -2.398 1.00 0.00 N ATOM 241 CA LEU A 19 49.391 -1.128 -2.227 1.00 0.00 C ATOM 242 C LEU A 19 49.499 -2.616 -2.542 1.00 0.00 C ATOM 243 O LEU A 19 50.377 -3.038 -3.294 1.00 0.00 O ATOM 244 CB LEU A 19 49.854 -0.875 -0.786 1.00 0.00 C ATOM 245 CG LEU A 19 50.097 0.629 -0.561 1.00 0.00 C ATOM 246 CD1 LEU A 19 50.065 0.932 0.941 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.466 1.047 -1.131 1.00 0.00 C ATOM 0 H LEU A 19 47.524 -0.450 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 19 50.029 -0.581 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 19 49.102 -1.238 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.769 -1.432 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 19 49.314 1.189 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.237 1.996 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.092 0.656 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.844 0.359 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.620 2.113 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.255 0.483 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.493 0.841 -2.201 1.00 0.00 H new ATOM 259 N THR A 20 48.613 -3.410 -1.959 1.00 0.00 N ATOM 260 CA THR A 20 48.637 -4.850 -2.184 1.00 0.00 C ATOM 261 C THR A 20 48.460 -5.178 -3.665 1.00 0.00 C ATOM 262 O THR A 20 49.208 -5.978 -4.227 1.00 0.00 O ATOM 263 CB THR A 20 47.521 -5.518 -1.377 1.00 0.00 C ATOM 264 OG1 THR A 20 47.572 -5.061 -0.032 1.00 0.00 O ATOM 265 CG2 THR A 20 47.702 -7.037 -1.406 1.00 0.00 C ATOM 0 H THR A 20 47.875 -3.087 -1.333 1.00 0.00 H new ATOM 0 HA THR A 20 49.606 -5.229 -1.860 1.00 0.00 H new ATOM 0 HB THR A 20 46.556 -5.261 -1.814 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.857 -5.487 0.485 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.906 -7.509 -0.831 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.662 -7.389 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.667 -7.297 -0.971 1.00 0.00 H new ATOM 273 N VAL A 21 47.457 -4.568 -4.285 1.00 0.00 N ATOM 274 CA VAL A 21 47.171 -4.816 -5.695 1.00 0.00 C ATOM 275 C VAL A 21 48.234 -4.215 -6.617 1.00 0.00 C ATOM 276 O VAL A 21 48.574 -4.807 -7.638 1.00 0.00 O ATOM 277 CB VAL A 21 45.803 -4.234 -6.055 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.524 -4.466 -7.542 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.721 -4.922 -5.220 1.00 0.00 C ATOM 0 H VAL A 21 46.830 -3.900 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 21 47.175 -5.896 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 21 45.798 -3.164 -5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.549 -4.051 -7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.295 -3.976 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.529 -5.536 -7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.746 -4.508 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.727 -5.992 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.919 -4.757 -4.161 1.00 0.00 H new ATOM 289 N LEU A 22 48.730 -3.031 -6.279 1.00 0.00 N ATOM 290 CA LEU A 22 49.725 -2.370 -7.122 1.00 0.00 C ATOM 291 C LEU A 22 51.013 -3.187 -7.225 1.00 0.00 C ATOM 292 O LEU A 22 51.471 -3.494 -8.328 1.00 0.00 O ATOM 293 CB LEU A 22 50.030 -0.970 -6.567 1.00 0.00 C ATOM 294 CG LEU A 22 51.201 -0.324 -7.320 1.00 0.00 C ATOM 295 CD1 LEU A 22 50.934 -0.352 -8.829 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.348 1.128 -6.855 1.00 0.00 C ATOM 0 H LEU A 22 48.466 -2.513 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 22 49.309 -2.283 -8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.145 -0.340 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.269 -1.040 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 22 52.117 -0.878 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 22 51.770 0.109 -9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 22 50.822 -1.385 -9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 50.020 0.200 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.178 1.597 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.428 1.673 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.543 1.149 -5.783 1.00 0.00 H new ATOM 308 N ILE A 23 51.603 -3.534 -6.086 1.00 0.00 N ATOM 309 CA ILE A 23 52.836 -4.297 -6.109 1.00 0.00 C ATOM 310 C ILE A 23 52.560 -5.712 -6.613 1.00 0.00 C ATOM 311 O ILE A 23 53.329 -6.258 -7.402 1.00 0.00 O ATOM 312 CB ILE A 23 53.474 -4.366 -4.713 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.433 -2.988 -4.008 1.00 0.00 C ATOM 314 CG2 ILE A 23 54.929 -4.851 -4.854 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.533 -2.055 -4.520 1.00 0.00 C ATOM 0 H ILE A 23 51.253 -3.303 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 23 53.532 -3.794 -6.781 1.00 0.00 H new ATOM 0 HB ILE A 23 52.907 -5.065 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.459 -2.526 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.545 -3.126 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.392 -4.904 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 23 54.940 -5.839 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.486 -4.154 -5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.470 -1.099 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.508 -2.506 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.405 -1.895 -5.591 1.00 0.00 H new ATOM 327 N ALA A 24 51.456 -6.301 -6.151 1.00 0.00 N ATOM 328 CA ALA A 24 51.096 -7.652 -6.567 1.00 0.00 C ATOM 329 C ALA A 24 50.986 -7.730 -8.084 1.00 0.00 C ATOM 330 O ALA A 24 51.404 -8.712 -8.697 1.00 0.00 O ATOM 331 CB ALA A 24 49.766 -8.062 -5.935 1.00 0.00 C ATOM 0 H ALA A 24 50.804 -5.868 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 24 51.878 -8.334 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.508 -9.072 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 24 49.856 -8.035 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.984 -7.371 -6.252 1.00 0.00 H new ATOM 337 N LEU A 25 50.427 -6.688 -8.686 1.00 0.00 N ATOM 338 CA LEU A 25 50.281 -6.655 -10.133 1.00 0.00 C ATOM 339 C LEU A 25 51.651 -6.500 -10.782 1.00 0.00 C ATOM 340 O LEU A 25 51.922 -7.076 -11.836 1.00 0.00 O ATOM 341 CB LEU A 25 49.365 -5.494 -10.541 1.00 0.00 C ATOM 342 CG LEU A 25 49.220 -5.430 -12.070 1.00 0.00 C ATOM 343 CD1 LEU A 25 48.647 -6.752 -12.608 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.275 -4.277 -12.428 1.00 0.00 C ATOM 0 H LEU A 25 50.071 -5.864 -8.201 1.00 0.00 H new ATOM 0 HA LEU A 25 49.832 -7.589 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.384 -5.619 -10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.773 -4.554 -10.169 1.00 0.00 H new ATOM 0 HG LEU A 25 50.199 -5.267 -12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 25 48.550 -6.692 -13.692 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.317 -7.571 -12.349 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.667 -6.931 -12.165 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.164 -4.221 -13.511 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.300 -4.450 -11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.688 -3.339 -12.057 1.00 0.00 H new ATOM 356 N ALA A 26 52.512 -5.712 -10.143 1.00 0.00 N ATOM 357 CA ALA A 26 53.854 -5.480 -10.664 1.00 0.00 C ATOM 358 C ALA A 26 54.661 -6.778 -10.727 1.00 0.00 C ATOM 359 O ALA A 26 55.207 -7.121 -11.776 1.00 0.00 O ATOM 360 CB ALA A 26 54.585 -4.467 -9.781 1.00 0.00 C ATOM 0 H ALA A 26 52.305 -5.227 -9.270 1.00 0.00 H new ATOM 0 HA ALA A 26 53.758 -5.088 -11.677 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.587 -4.297 -10.175 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.034 -3.527 -9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.655 -4.854 -8.765 1.00 0.00 H new ATOM 366 N VAL A 27 54.747 -7.492 -9.603 1.00 0.00 N ATOM 367 CA VAL A 27 55.512 -8.738 -9.572 1.00 0.00 C ATOM 368 C VAL A 27 54.852 -9.821 -10.420 1.00 0.00 C ATOM 369 O VAL A 27 55.534 -10.572 -11.118 1.00 0.00 O ATOM 370 CB VAL A 27 55.664 -9.227 -8.127 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.158 -8.073 -7.250 1.00 0.00 C ATOM 372 CG2 VAL A 27 54.315 -9.731 -7.601 1.00 0.00 C ATOM 0 H VAL A 27 54.306 -7.236 -8.720 1.00 0.00 H new ATOM 0 HA VAL A 27 56.497 -8.535 -9.992 1.00 0.00 H new ATOM 0 HB VAL A 27 56.385 -10.044 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.267 -8.418 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.122 -7.722 -7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.437 -7.256 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.431 -10.077 -6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 27 53.587 -8.920 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 27 53.966 -10.555 -8.224 1.00 0.00 H new ATOM 382 N TYR A 28 53.530 -9.906 -10.350 1.00 0.00 N ATOM 383 CA TYR A 28 52.806 -10.911 -11.115 1.00 0.00 C ATOM 384 C TYR A 28 53.056 -10.742 -12.610 1.00 0.00 C ATOM 385 O TYR A 28 53.325 -11.715 -13.315 1.00 0.00 O ATOM 386 CB TYR A 28 51.307 -10.808 -10.833 1.00 0.00 C ATOM 387 CG TYR A 28 50.579 -11.887 -11.598 1.00 0.00 C ATOM 388 CD1 TYR A 28 50.448 -13.168 -11.049 1.00 0.00 C ATOM 389 CD2 TYR A 28 50.036 -11.608 -12.858 1.00 0.00 C ATOM 390 CE1 TYR A 28 49.775 -14.169 -11.760 1.00 0.00 C ATOM 391 CE2 TYR A 28 49.364 -12.609 -13.570 1.00 0.00 C ATOM 392 CZ TYR A 28 49.232 -13.890 -13.020 1.00 0.00 C ATOM 393 OH TYR A 28 48.569 -14.877 -13.720 1.00 0.00 O ATOM 0 H TYR A 28 52.943 -9.299 -9.778 1.00 0.00 H new ATOM 0 HA TYR A 28 53.167 -11.893 -10.809 1.00 0.00 H new ATOM 0 HB2 TYR A 28 51.118 -10.914 -9.765 1.00 0.00 H new ATOM 0 HB3 TYR A 28 50.937 -9.826 -11.126 1.00 0.00 H new ATOM 0 HD1 TYR A 28 50.866 -13.384 -10.077 1.00 0.00 H new ATOM 0 HD2 TYR A 28 50.136 -10.619 -13.281 1.00 0.00 H new ATOM 0 HE1 TYR A 28 49.675 -15.157 -11.336 1.00 0.00 H new ATOM 0 HE2 TYR A 28 48.948 -12.393 -14.543 1.00 0.00 H new ATOM 0 HH TYR A 28 48.254 -14.516 -14.575 1.00 0.00 H new ATOM 403 N PHE A 29 52.958 -9.506 -13.092 1.00 0.00 N ATOM 404 CA PHE A 29 53.169 -9.235 -14.510 1.00 0.00 C ATOM 405 C PHE A 29 54.600 -9.569 -14.923 1.00 0.00 C ATOM 406 O PHE A 29 54.816 -10.313 -15.878 1.00 0.00 O ATOM 407 CB PHE A 29 52.881 -7.765 -14.813 1.00 0.00 C ATOM 408 CG PHE A 29 52.841 -7.561 -16.308 1.00 0.00 C ATOM 409 CD1 PHE A 29 51.637 -7.725 -17.005 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.006 -7.208 -17.000 1.00 0.00 C ATOM 411 CE1 PHE A 29 51.599 -7.538 -18.392 1.00 0.00 C ATOM 412 CE2 PHE A 29 53.969 -7.021 -18.387 1.00 0.00 C ATOM 413 CZ PHE A 29 52.765 -7.186 -19.084 1.00 0.00 C ATOM 0 H PHE A 29 52.736 -8.685 -12.529 1.00 0.00 H new ATOM 0 HA PHE A 29 52.485 -9.865 -15.079 1.00 0.00 H new ATOM 0 HB2 PHE A 29 51.930 -7.470 -14.369 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.650 -7.133 -14.369 1.00 0.00 H new ATOM 0 HD1 PHE A 29 50.738 -7.996 -16.472 1.00 0.00 H new ATOM 0 HD2 PHE A 29 54.934 -7.080 -16.463 1.00 0.00 H new ATOM 0 HE1 PHE A 29 50.670 -7.665 -18.929 1.00 0.00 H new ATOM 0 HE2 PHE A 29 54.869 -6.750 -18.920 1.00 0.00 H new ATOM 0 HZ PHE A 29 52.736 -7.042 -20.154 1.00 0.00 H new ATOM 423 N LEU A 30 55.571 -9.016 -14.199 1.00 0.00 N ATOM 424 CA LEU A 30 56.977 -9.262 -14.505 1.00 0.00 C ATOM 425 C LEU A 30 57.873 -8.626 -13.447 1.00 0.00 C ATOM 426 O LEU A 30 58.452 -7.563 -13.668 1.00 0.00 O ATOM 427 CB LEU A 30 57.322 -8.684 -15.886 1.00 0.00 C ATOM 428 CG LEU A 30 58.773 -9.020 -16.266 1.00 0.00 C ATOM 429 CD1 LEU A 30 58.958 -10.544 -16.387 1.00 0.00 C ATOM 430 CD2 LEU A 30 59.097 -8.353 -17.610 1.00 0.00 C ATOM 0 H LEU A 30 55.411 -8.399 -13.402 1.00 0.00 H new ATOM 0 HA LEU A 30 57.146 -10.339 -14.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 56.641 -9.088 -16.636 1.00 0.00 H new ATOM 0 HB3 LEU A 30 57.183 -7.603 -15.879 1.00 0.00 H new ATOM 0 HG LEU A 30 59.445 -8.651 -15.491 1.00 0.00 H new ATOM 0 HD11 LEU A 30 59.991 -10.765 -16.657 1.00 0.00 H new ATOM 0 HD12 LEU A 30 58.723 -11.016 -15.433 1.00 0.00 H new ATOM 0 HD13 LEU A 30 58.291 -10.931 -17.157 1.00 0.00 H new ATOM 0 HD21 LEU A 30 60.124 -8.583 -17.892 1.00 0.00 H new ATOM 0 HD22 LEU A 30 58.418 -8.728 -18.375 1.00 0.00 H new ATOM 0 HD23 LEU A 30 58.979 -7.273 -17.518 1.00 0.00 H new ATOM 442 N GLY A 31 57.983 -9.283 -12.298 1.00 0.00 N ATOM 443 CA GLY A 31 58.814 -8.769 -11.215 1.00 0.00 C ATOM 444 C GLY A 31 60.284 -8.752 -11.623 1.00 0.00 C ATOM 445 O GLY A 31 60.686 -9.444 -12.558 1.00 0.00 O ATOM 0 H GLY A 31 57.512 -10.164 -12.093 1.00 0.00 H new ATOM 0 HA2 GLY A 31 58.493 -7.761 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 31 58.685 -9.387 -10.327 1.00 0.00 H new ATOM 449 N ARG A 32 61.082 -7.958 -10.914 1.00 0.00 N ATOM 450 CA ARG A 32 62.507 -7.860 -11.213 1.00 0.00 C ATOM 451 C ARG A 32 63.257 -9.061 -10.644 1.00 0.00 C ATOM 452 O ARG A 32 64.486 -9.060 -10.572 1.00 0.00 O ATOM 453 CB ARG A 32 63.081 -6.570 -10.615 1.00 0.00 C ATOM 454 CG ARG A 32 62.367 -5.340 -11.211 1.00 0.00 C ATOM 455 CD ARG A 32 63.035 -4.926 -12.527 1.00 0.00 C ATOM 456 NE ARG A 32 64.421 -4.539 -12.291 1.00 0.00 N ATOM 457 CZ ARG A 32 65.266 -4.352 -13.300 1.00 0.00 C ATOM 458 NH1 ARG A 32 64.861 -4.518 -14.529 1.00 0.00 N ATOM 459 NH2 ARG A 32 66.500 -4.002 -13.062 1.00 0.00 N ATOM 0 H ARG A 32 60.770 -7.378 -10.135 1.00 0.00 H new ATOM 0 HA ARG A 32 62.631 -7.846 -12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 32 62.962 -6.579 -9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 32 64.150 -6.512 -10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 32 61.316 -5.570 -11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 32 62.400 -4.513 -10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 32 62.997 -5.752 -13.238 1.00 0.00 H new ATOM 0 HD3 ARG A 32 62.489 -4.095 -12.974 1.00 0.00 H new ATOM 0 HE ARG A 32 64.748 -4.409 -11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 32 63.896 -4.791 -14.716 1.00 0.00 H new ATOM 0 HH12 ARG A 32 65.509 -4.375 -15.303 1.00 0.00 H new ATOM 0 HH21 ARG A 32 66.817 -3.872 -12.101 1.00 0.00 H new ATOM 0 HH22 ARG A 32 67.148 -3.859 -13.837 1.00 0.00 H new ATOM 473 N LEU A 33 62.510 -10.084 -10.241 1.00 0.00 N ATOM 474 CA LEU A 33 63.114 -11.285 -9.680 1.00 0.00 C ATOM 475 C LEU A 33 63.977 -10.932 -8.472 1.00 0.00 C ATOM 476 CB LEU A 33 63.975 -11.981 -10.742 1.00 0.00 C ATOM 477 CG LEU A 33 64.400 -13.382 -10.256 1.00 0.00 C ATOM 478 CD1 LEU A 33 63.266 -14.395 -10.468 1.00 0.00 C ATOM 479 CD2 LEU A 33 65.632 -13.843 -11.042 1.00 0.00 C ATOM 0 H LEU A 33 61.492 -10.105 -10.292 1.00 0.00 H new ATOM 0 HA LEU A 33 62.318 -11.958 -9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 33 63.416 -12.066 -11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 33 64.859 -11.379 -10.955 1.00 0.00 H new ATOM 0 HG LEU A 33 64.631 -13.324 -9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 33 63.585 -15.377 -10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 33 62.386 -14.079 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 33 63.020 -14.449 -11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 33 65.933 -14.833 -10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 33 65.391 -13.885 -12.104 1.00 0.00 H new ATOM 0 HD23 LEU A 33 66.449 -13.140 -10.883 1.00 0.00 H new TER 491 LEU A 33 ATOM 492 N CYS B 1 30.741 12.265 23.677 1.00 0.00 N ATOM 493 CA CYS B 1 29.335 12.039 23.239 1.00 0.00 C ATOM 494 C CYS B 1 29.288 10.857 22.277 1.00 0.00 C ATOM 495 O CYS B 1 28.215 10.359 21.939 1.00 0.00 O ATOM 496 CB CYS B 1 28.810 13.298 22.547 1.00 0.00 C ATOM 497 SG CYS B 1 29.969 13.802 21.251 1.00 0.00 S ATOM 0 H1 CYS B 1 30.748 12.860 24.530 1.00 0.00 H new ATOM 0 H2 CYS B 1 31.190 11.351 23.889 1.00 0.00 H new ATOM 0 H3 CYS B 1 31.269 12.742 22.918 1.00 0.00 H new ATOM 0 HA CYS B 1 28.710 11.820 24.105 1.00 0.00 H new ATOM 0 HB2 CYS B 1 27.827 13.106 22.116 1.00 0.00 H new ATOM 0 HB3 CYS B 1 28.688 14.101 23.274 1.00 0.00 H new ATOM 501 N SER B 2 30.463 10.413 21.839 1.00 0.00 N ATOM 502 CA SER B 2 30.550 9.287 20.914 1.00 0.00 C ATOM 503 C SER B 2 31.927 8.634 20.994 1.00 0.00 C ATOM 504 O SER B 2 32.061 7.422 20.818 1.00 0.00 O ATOM 505 CB SER B 2 30.294 9.765 19.486 1.00 0.00 C ATOM 506 OG SER B 2 30.595 8.713 18.577 1.00 0.00 O ATOM 0 H SER B 2 31.362 10.812 22.107 1.00 0.00 H new ATOM 0 HA SER B 2 29.794 8.552 21.192 1.00 0.00 H new ATOM 0 HB2 SER B 2 29.254 10.072 19.374 1.00 0.00 H new ATOM 0 HB3 SER B 2 30.909 10.638 19.267 1.00 0.00 H new ATOM 0 HG SER B 2 30.430 9.016 17.660 1.00 0.00 H new ATOM 512 N THR B 3 32.945 9.443 21.263 1.00 0.00 N ATOM 513 CA THR B 3 34.308 8.933 21.367 1.00 0.00 C ATOM 514 C THR B 3 34.631 8.012 20.192 1.00 0.00 C ATOM 515 O THR B 3 34.311 6.824 20.217 1.00 0.00 O ATOM 516 CB THR B 3 34.479 8.163 22.679 1.00 0.00 C ATOM 517 OG1 THR B 3 34.178 9.020 23.772 1.00 0.00 O ATOM 518 CG2 THR B 3 35.920 7.668 22.798 1.00 0.00 C ATOM 0 H THR B 3 32.855 10.448 21.412 1.00 0.00 H new ATOM 0 HA THR B 3 34.993 9.781 21.348 1.00 0.00 H new ATOM 0 HB THR B 3 33.802 7.309 22.690 1.00 0.00 H new ATOM 0 HG1 THR B 3 34.285 8.528 24.613 1.00 0.00 H new ATOM 0 HG21 THR B 3 36.040 7.120 23.732 1.00 0.00 H new ATOM 0 HG22 THR B 3 36.149 7.010 21.960 1.00 0.00 H new ATOM 0 HG23 THR B 3 36.600 8.520 22.787 1.00 0.00 H new ATOM 526 N VAL B 4 35.271 8.570 19.164 1.00 0.00 N ATOM 527 CA VAL B 4 35.641 7.794 17.982 1.00 0.00 C ATOM 528 C VAL B 4 37.052 7.233 18.145 1.00 0.00 C ATOM 529 O VAL B 4 37.997 7.977 18.408 1.00 0.00 O ATOM 530 CB VAL B 4 35.571 8.688 16.739 1.00 0.00 C ATOM 531 CG1 VAL B 4 36.610 9.808 16.849 1.00 0.00 C ATOM 532 CG2 VAL B 4 35.847 7.854 15.486 1.00 0.00 C ATOM 0 H VAL B 4 35.543 9.552 19.126 1.00 0.00 H new ATOM 0 HA VAL B 4 34.945 6.963 17.866 1.00 0.00 H new ATOM 0 HB VAL B 4 34.575 9.125 16.669 1.00 0.00 H new ATOM 0 HG11 VAL B 4 36.557 10.441 15.964 1.00 0.00 H new ATOM 0 HG12 VAL B 4 36.407 10.407 17.736 1.00 0.00 H new ATOM 0 HG13 VAL B 4 37.607 9.373 16.925 1.00 0.00 H new ATOM 0 HG21 VAL B 4 35.796 8.494 14.605 1.00 0.00 H new ATOM 0 HG22 VAL B 4 36.840 7.410 15.556 1.00 0.00 H new ATOM 0 HG23 VAL B 4 35.101 7.063 15.404 1.00 0.00 H new ATOM 542 N SER B 5 37.189 5.916 18.004 1.00 0.00 N ATOM 543 CA SER B 5 38.492 5.278 18.156 1.00 0.00 C ATOM 544 C SER B 5 38.509 3.891 17.514 1.00 0.00 C ATOM 545 O SER B 5 38.742 2.891 18.192 1.00 0.00 O ATOM 546 CB SER B 5 38.830 5.151 19.641 1.00 0.00 C ATOM 547 OG SER B 5 39.903 4.234 19.803 1.00 0.00 O ATOM 0 H SER B 5 36.423 5.278 17.787 1.00 0.00 H new ATOM 0 HA SER B 5 39.234 5.899 17.654 1.00 0.00 H new ATOM 0 HB2 SER B 5 39.104 6.124 20.048 1.00 0.00 H new ATOM 0 HB3 SER B 5 37.957 4.808 20.196 1.00 0.00 H new ATOM 0 HG SER B 5 39.587 3.325 19.619 1.00 0.00 H new ATOM 553 N PRO B 6 38.276 3.811 16.228 1.00 0.00 N ATOM 554 CA PRO B 6 38.277 2.511 15.490 1.00 0.00 C ATOM 555 C PRO B 6 39.670 1.890 15.449 1.00 0.00 C ATOM 556 O PRO B 6 40.415 2.064 14.485 1.00 0.00 O ATOM 557 CB PRO B 6 37.770 2.890 14.092 1.00 0.00 C ATOM 558 CG PRO B 6 38.107 4.336 13.936 1.00 0.00 C ATOM 559 CD PRO B 6 37.989 4.946 15.331 1.00 0.00 C ATOM 0 HA PRO B 6 37.655 1.752 15.965 1.00 0.00 H new ATOM 0 HB2 PRO B 6 38.251 2.288 13.321 1.00 0.00 H new ATOM 0 HB3 PRO B 6 36.696 2.723 14.003 1.00 0.00 H new ATOM 0 HG2 PRO B 6 39.114 4.462 13.539 1.00 0.00 H new ATOM 0 HG3 PRO B 6 37.426 4.823 13.238 1.00 0.00 H new ATOM 0 HD2 PRO B 6 38.699 5.760 15.474 1.00 0.00 H new ATOM 0 HD3 PRO B 6 36.994 5.355 15.507 1.00 0.00 H new ATOM 567 N GLY B 7 40.007 1.163 16.510 1.00 0.00 N ATOM 568 CA GLY B 7 41.306 0.514 16.601 1.00 0.00 C ATOM 569 C GLY B 7 41.578 -0.317 15.357 1.00 0.00 C ATOM 570 O GLY B 7 42.726 -0.475 14.943 1.00 0.00 O ATOM 0 H GLY B 7 39.399 1.010 17.315 1.00 0.00 H new ATOM 0 HA2 GLY B 7 42.086 1.266 16.721 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.339 -0.123 17.485 1.00 0.00 H new ATOM 574 N VAL B 8 40.514 -0.844 14.761 1.00 0.00 N ATOM 575 CA VAL B 8 40.662 -1.652 13.562 1.00 0.00 C ATOM 576 C VAL B 8 41.296 -0.820 12.449 1.00 0.00 C ATOM 577 O VAL B 8 42.215 -1.281 11.774 1.00 0.00 O ATOM 578 CB VAL B 8 39.302 -2.205 13.117 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.451 -1.086 12.506 1.00 0.00 C ATOM 580 CG2 VAL B 8 39.520 -3.310 12.079 1.00 0.00 C ATOM 0 H VAL B 8 39.554 -0.727 15.085 1.00 0.00 H new ATOM 0 HA VAL B 8 41.316 -2.496 13.783 1.00 0.00 H new ATOM 0 HB VAL B 8 38.780 -2.612 13.983 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.488 -1.490 12.194 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.293 -0.303 13.248 1.00 0.00 H new ATOM 0 HG13 VAL B 8 38.966 -0.668 11.641 1.00 0.00 H new ATOM 0 HG21 VAL B 8 38.555 -3.705 11.760 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.047 -2.901 11.217 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.113 -4.111 12.520 1.00 0.00 H new ATOM 590 N LEU B 9 40.823 0.416 12.274 1.00 0.00 N ATOM 591 CA LEU B 9 41.398 1.279 11.238 1.00 0.00 C ATOM 592 C LEU B 9 42.899 1.457 11.502 1.00 0.00 C ATOM 593 O LEU B 9 43.726 1.274 10.602 1.00 0.00 O ATOM 594 CB LEU B 9 40.678 2.650 11.218 1.00 0.00 C ATOM 595 CG LEU B 9 39.622 2.715 10.086 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.305 2.639 8.700 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.615 1.560 10.235 1.00 0.00 C ATOM 0 H LEU B 9 40.067 0.833 12.817 1.00 0.00 H new ATOM 0 HA LEU B 9 41.262 0.814 10.262 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.195 2.823 12.179 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.410 3.446 11.081 1.00 0.00 H new ATOM 0 HG LEU B 9 39.093 3.665 10.163 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.547 2.686 7.918 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.995 3.476 8.588 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.855 1.702 8.616 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.877 1.615 9.435 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.142 0.608 10.178 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.111 1.638 11.199 1.00 0.00 H new ATOM 609 N ALA B 10 43.249 1.783 12.743 1.00 0.00 N ATOM 610 CA ALA B 10 44.652 1.944 13.102 1.00 0.00 C ATOM 611 C ALA B 10 45.403 0.684 12.701 1.00 0.00 C ATOM 612 O ALA B 10 46.574 0.722 12.294 1.00 0.00 O ATOM 613 CB ALA B 10 44.789 2.168 14.609 1.00 0.00 C ATOM 0 H ALA B 10 42.590 1.939 13.506 1.00 0.00 H new ATOM 0 HA ALA B 10 45.066 2.809 12.584 1.00 0.00 H new ATOM 0 HB1 ALA B 10 45.842 2.287 14.865 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.242 3.067 14.894 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.380 1.310 15.143 1.00 0.00 H new ATOM 619 N GLY B 11 44.692 -0.430 12.803 1.00 0.00 N ATOM 620 CA GLY B 11 45.245 -1.726 12.443 1.00 0.00 C ATOM 621 C GLY B 11 45.580 -1.749 10.961 1.00 0.00 C ATOM 622 O GLY B 11 46.601 -2.294 10.542 1.00 0.00 O ATOM 0 H GLY B 11 43.728 -0.461 13.133 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.141 -1.925 13.031 1.00 0.00 H new ATOM 0 HA3 GLY B 11 44.529 -2.514 12.676 1.00 0.00 H new ATOM 626 N ILE B 12 44.703 -1.148 10.169 1.00 0.00 N ATOM 627 CA ILE B 12 44.909 -1.101 8.734 1.00 0.00 C ATOM 628 C ILE B 12 46.080 -0.169 8.399 1.00 0.00 C ATOM 629 O ILE B 12 46.723 -0.344 7.374 1.00 0.00 O ATOM 630 CB ILE B 12 43.605 -0.670 8.019 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.661 -1.884 7.844 1.00 0.00 C ATOM 632 CG2 ILE B 12 43.921 -0.092 6.631 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.030 -2.263 9.184 1.00 0.00 C ATOM 0 H ILE B 12 43.851 -0.691 10.494 1.00 0.00 H new ATOM 0 HA ILE B 12 45.166 -2.097 8.373 1.00 0.00 H new ATOM 0 HB ILE B 12 43.121 0.089 8.633 1.00 0.00 H new ATOM 0 HG12 ILE B 12 41.881 -1.645 7.121 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.218 -2.731 7.444 1.00 0.00 H new ATOM 0 HG21 ILE B 12 42.994 0.206 6.141 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.571 0.777 6.738 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.423 -0.848 6.028 1.00 0.00 H new ATOM 0 HD11 ILE B 12 41.369 -3.118 9.046 1.00 0.00 H new ATOM 0 HD12 ILE B 12 42.814 -2.522 9.895 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.457 -1.419 9.568 1.00 0.00 H new ATOM 645 N VAL B 13 46.370 0.803 9.269 1.00 0.00 N ATOM 646 CA VAL B 13 47.503 1.708 9.022 1.00 0.00 C ATOM 647 C VAL B 13 48.808 0.934 9.139 1.00 0.00 C ATOM 648 O VAL B 13 49.637 0.929 8.213 1.00 0.00 O ATOM 649 CB VAL B 13 47.515 2.856 10.036 1.00 0.00 C ATOM 650 CG1 VAL B 13 48.727 3.757 9.776 1.00 0.00 C ATOM 651 CG2 VAL B 13 46.235 3.683 9.911 1.00 0.00 C ATOM 0 H VAL B 13 45.853 0.984 10.130 1.00 0.00 H new ATOM 0 HA VAL B 13 47.398 2.122 8.019 1.00 0.00 H new ATOM 0 HB VAL B 13 47.574 2.439 11.041 1.00 0.00 H new ATOM 0 HG11 VAL B 13 48.735 4.574 10.498 1.00 0.00 H new ATOM 0 HG12 VAL B 13 49.642 3.174 9.878 1.00 0.00 H new ATOM 0 HG13 VAL B 13 48.667 4.165 8.767 1.00 0.00 H new ATOM 0 HG21 VAL B 13 46.255 4.496 10.637 1.00 0.00 H new ATOM 0 HG22 VAL B 13 46.166 4.096 8.905 1.00 0.00 H new ATOM 0 HG23 VAL B 13 45.371 3.047 10.102 1.00 0.00 H new ATOM 661 N VAL B 14 48.986 0.257 10.271 1.00 0.00 N ATOM 662 CA VAL B 14 50.193 -0.523 10.446 1.00 0.00 C ATOM 663 C VAL B 14 50.257 -1.550 9.324 1.00 0.00 C ATOM 664 O VAL B 14 51.330 -1.915 8.849 1.00 0.00 O ATOM 665 CB VAL B 14 50.223 -1.205 11.817 1.00 0.00 C ATOM 666 CG1 VAL B 14 48.924 -1.968 12.040 1.00 0.00 C ATOM 667 CG2 VAL B 14 51.404 -2.176 11.876 1.00 0.00 C ATOM 0 H VAL B 14 48.331 0.235 11.052 1.00 0.00 H new ATOM 0 HA VAL B 14 51.063 0.132 10.404 1.00 0.00 H new ATOM 0 HB VAL B 14 50.333 -0.449 12.595 1.00 0.00 H new ATOM 0 HG11 VAL B 14 48.949 -2.452 13.016 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.084 -1.275 12.000 1.00 0.00 H new ATOM 0 HG13 VAL B 14 48.808 -2.724 11.263 1.00 0.00 H new ATOM 0 HG21 VAL B 14 51.427 -2.662 12.851 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.294 -2.930 11.097 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.334 -1.628 11.722 1.00 0.00 H new ATOM 677 N GLY B 15 49.085 -1.985 8.880 1.00 0.00 N ATOM 678 CA GLY B 15 49.001 -2.941 7.786 1.00 0.00 C ATOM 679 C GLY B 15 49.371 -2.270 6.461 1.00 0.00 C ATOM 680 O GLY B 15 49.804 -2.926 5.519 1.00 0.00 O ATOM 0 H GLY B 15 48.184 -1.692 9.259 1.00 0.00 H new ATOM 0 HA2 GLY B 15 49.671 -3.780 7.976 1.00 0.00 H new ATOM 0 HA3 GLY B 15 47.991 -3.347 7.726 1.00 0.00 H new ATOM 684 N ASP B 16 49.169 -0.955 6.399 1.00 0.00 N ATOM 685 CA ASP B 16 49.450 -0.192 5.187 1.00 0.00 C ATOM 686 C ASP B 16 50.941 -0.128 4.894 1.00 0.00 C ATOM 687 O ASP B 16 51.396 -0.596 3.845 1.00 0.00 O ATOM 688 CB ASP B 16 48.904 1.232 5.336 1.00 0.00 C ATOM 689 CG ASP B 16 48.952 1.960 3.998 1.00 0.00 C ATOM 690 OD1 ASP B 16 47.993 1.849 3.252 1.00 0.00 O ATOM 691 OD2 ASP B 16 49.944 2.621 3.741 1.00 0.00 O ATOM 0 H ASP B 16 48.812 -0.397 7.174 1.00 0.00 H new ATOM 0 HA ASP B 16 48.962 -0.700 4.355 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.878 1.199 5.703 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.490 1.778 6.076 1.00 0.00 H new ATOM 696 N LEU B 17 51.712 0.450 5.813 1.00 0.00 N ATOM 697 CA LEU B 17 53.154 0.545 5.579 1.00 0.00 C ATOM 698 C LEU B 17 53.806 -0.836 5.673 1.00 0.00 C ATOM 699 O LEU B 17 54.841 -1.076 5.053 1.00 0.00 O ATOM 700 CB LEU B 17 53.823 1.619 6.483 1.00 0.00 C ATOM 701 CG LEU B 17 54.139 1.140 7.915 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.885 0.584 8.590 1.00 0.00 C ATOM 703 CD2 LEU B 17 55.278 0.093 7.926 1.00 0.00 C ATOM 0 H LEU B 17 51.382 0.846 6.693 1.00 0.00 H new ATOM 0 HA LEU B 17 53.317 0.896 4.560 1.00 0.00 H new ATOM 0 HB2 LEU B 17 54.748 1.948 6.011 1.00 0.00 H new ATOM 0 HB3 LEU B 17 53.167 2.488 6.540 1.00 0.00 H new ATOM 0 HG LEU B 17 54.481 2.005 8.483 1.00 0.00 H new ATOM 0 HD11 LEU B 17 53.131 0.252 9.599 1.00 0.00 H new ATOM 0 HD12 LEU B 17 52.123 1.362 8.640 1.00 0.00 H new ATOM 0 HD13 LEU B 17 52.505 -0.259 8.013 1.00 0.00 H new ATOM 0 HD21 LEU B 17 55.473 -0.221 8.951 1.00 0.00 H new ATOM 0 HD22 LEU B 17 54.983 -0.772 7.331 1.00 0.00 H new ATOM 0 HD23 LEU B 17 56.181 0.533 7.503 1.00 0.00 H new ATOM 715 N VAL B 18 53.176 -1.767 6.401 1.00 0.00 N ATOM 716 CA VAL B 18 53.709 -3.125 6.487 1.00 0.00 C ATOM 717 C VAL B 18 53.558 -3.799 5.120 1.00 0.00 C ATOM 718 O VAL B 18 54.431 -4.545 4.685 1.00 0.00 O ATOM 719 CB VAL B 18 52.969 -3.940 7.567 1.00 0.00 C ATOM 720 CG1 VAL B 18 53.206 -5.445 7.365 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.482 -3.545 8.959 1.00 0.00 C ATOM 0 H VAL B 18 52.316 -1.607 6.926 1.00 0.00 H new ATOM 0 HA VAL B 18 54.761 -3.081 6.767 1.00 0.00 H new ATOM 0 HB VAL B 18 51.903 -3.727 7.484 1.00 0.00 H new ATOM 0 HG11 VAL B 18 52.676 -6.004 8.137 1.00 0.00 H new ATOM 0 HG12 VAL B 18 52.837 -5.743 6.383 1.00 0.00 H new ATOM 0 HG13 VAL B 18 54.273 -5.657 7.432 1.00 0.00 H new ATOM 0 HG21 VAL B 18 52.956 -4.124 9.718 1.00 0.00 H new ATOM 0 HG22 VAL B 18 54.551 -3.748 9.024 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.304 -2.482 9.124 1.00 0.00 H new ATOM 731 N LEU B 19 52.435 -3.528 4.449 1.00 0.00 N ATOM 732 CA LEU B 19 52.178 -4.109 3.129 1.00 0.00 C ATOM 733 C LEU B 19 53.205 -3.603 2.118 1.00 0.00 C ATOM 734 O LEU B 19 53.805 -4.387 1.379 1.00 0.00 O ATOM 735 CB LEU B 19 50.766 -3.722 2.640 1.00 0.00 C ATOM 736 CG LEU B 19 49.702 -4.681 3.204 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.319 -4.029 3.060 1.00 0.00 C ATOM 738 CD2 LEU B 19 49.714 -6.019 2.436 1.00 0.00 C ATOM 0 H LEU B 19 51.696 -2.916 4.794 1.00 0.00 H new ATOM 0 HA LEU B 19 52.252 -5.193 3.215 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.539 -2.701 2.946 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.737 -3.742 1.551 1.00 0.00 H new ATOM 0 HG LEU B 19 49.923 -4.878 4.253 1.00 0.00 H new ATOM 0 HD11 LEU B 19 47.557 -4.700 3.457 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.300 -3.090 3.614 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.117 -3.833 2.007 1.00 0.00 H new ATOM 0 HD21 LEU B 19 48.955 -6.683 2.850 1.00 0.00 H new ATOM 0 HD22 LEU B 19 49.501 -5.836 1.383 1.00 0.00 H new ATOM 0 HD23 LEU B 19 50.695 -6.485 2.532 1.00 0.00 H new ATOM 750 N THR B 20 53.381 -2.286 2.077 1.00 0.00 N ATOM 751 CA THR B 20 54.313 -1.679 1.132 1.00 0.00 C ATOM 752 C THR B 20 55.731 -2.212 1.314 1.00 0.00 C ATOM 753 O THR B 20 56.377 -2.612 0.348 1.00 0.00 O ATOM 754 CB THR B 20 54.322 -0.160 1.314 1.00 0.00 C ATOM 755 OG1 THR B 20 52.986 0.319 1.360 1.00 0.00 O ATOM 756 CG2 THR B 20 55.058 0.494 0.143 1.00 0.00 C ATOM 0 H THR B 20 52.895 -1.623 2.681 1.00 0.00 H new ATOM 0 HA THR B 20 53.977 -1.937 0.128 1.00 0.00 H new ATOM 0 HB THR B 20 54.831 0.089 2.245 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.991 1.292 1.478 1.00 0.00 H new ATOM 0 HG21 THR B 20 55.063 1.576 0.275 1.00 0.00 H new ATOM 0 HG22 THR B 20 56.084 0.128 0.108 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.552 0.245 -0.790 1.00 0.00 H new ATOM 764 N VAL B 21 56.217 -2.192 2.549 1.00 0.00 N ATOM 765 CA VAL B 21 57.574 -2.653 2.836 1.00 0.00 C ATOM 766 C VAL B 21 57.706 -4.170 2.715 1.00 0.00 C ATOM 767 O VAL B 21 58.793 -4.679 2.455 1.00 0.00 O ATOM 768 CB VAL B 21 57.979 -2.221 4.247 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.380 -2.748 4.566 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.980 -0.694 4.332 1.00 0.00 C ATOM 0 H VAL B 21 55.698 -1.865 3.364 1.00 0.00 H new ATOM 0 HA VAL B 21 58.235 -2.201 2.096 1.00 0.00 H new ATOM 0 HB VAL B 21 57.267 -2.627 4.966 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.665 -2.438 5.571 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.381 -3.836 4.507 1.00 0.00 H new ATOM 0 HG13 VAL B 21 60.093 -2.345 3.847 1.00 0.00 H new ATOM 0 HG21 VAL B 21 58.268 -0.386 5.337 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.690 -0.290 3.611 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.982 -0.317 4.109 1.00 0.00 H new ATOM 780 N LEU B 22 56.616 -4.892 2.928 1.00 0.00 N ATOM 781 CA LEU B 22 56.664 -6.349 2.860 1.00 0.00 C ATOM 782 C LEU B 22 56.872 -6.828 1.427 1.00 0.00 C ATOM 783 O LEU B 22 57.825 -7.554 1.141 1.00 0.00 O ATOM 784 CB LEU B 22 55.365 -6.937 3.428 1.00 0.00 C ATOM 785 CG LEU B 22 55.309 -8.455 3.197 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.597 -9.114 3.705 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.110 -9.029 3.957 1.00 0.00 C ATOM 0 H LEU B 22 55.699 -4.502 3.146 1.00 0.00 H new ATOM 0 HA LEU B 22 57.510 -6.692 3.456 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.300 -6.724 4.495 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.507 -6.460 2.955 1.00 0.00 H new ATOM 0 HG LEU B 22 55.207 -8.655 2.130 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.546 -10.190 3.536 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.452 -8.702 3.169 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.709 -8.919 4.772 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.061 -10.106 3.799 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.221 -8.823 5.021 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.193 -8.567 3.592 1.00 0.00 H new ATOM 799 N ILE B 23 55.979 -6.430 0.531 1.00 0.00 N ATOM 800 CA ILE B 23 56.094 -6.847 -0.857 1.00 0.00 C ATOM 801 C ILE B 23 57.280 -6.148 -1.522 1.00 0.00 C ATOM 802 O ILE B 23 58.015 -6.765 -2.293 1.00 0.00 O ATOM 803 CB ILE B 23 54.791 -6.557 -1.606 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.608 -7.022 -0.750 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.781 -7.329 -2.932 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.300 -6.772 -1.500 1.00 0.00 C ATOM 0 H ILE B 23 55.181 -5.829 0.736 1.00 0.00 H new ATOM 0 HA ILE B 23 56.272 -7.922 -0.892 1.00 0.00 H new ATOM 0 HB ILE B 23 54.713 -5.488 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.709 -8.082 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.602 -6.488 0.200 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.853 -7.123 -3.466 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.628 -7.015 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.854 -8.398 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.461 -7.104 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.198 -5.707 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.307 -7.327 -2.438 1.00 0.00 H new ATOM 818 N ALA B 24 57.478 -4.866 -1.205 1.00 0.00 N ATOM 819 CA ALA B 24 58.600 -4.122 -1.771 1.00 0.00 C ATOM 820 C ALA B 24 59.919 -4.772 -1.353 1.00 0.00 C ATOM 821 O ALA B 24 60.860 -4.872 -2.145 1.00 0.00 O ATOM 822 CB ALA B 24 58.571 -2.670 -1.292 1.00 0.00 C ATOM 0 H ALA B 24 56.886 -4.331 -0.570 1.00 0.00 H new ATOM 0 HA ALA B 24 58.516 -4.139 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.413 -2.128 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.639 -2.201 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.640 -2.644 -0.205 1.00 0.00 H new ATOM 828 N LEU B 25 59.981 -5.223 -0.103 1.00 0.00 N ATOM 829 CA LEU B 25 61.185 -5.872 0.396 1.00 0.00 C ATOM 830 C LEU B 25 61.343 -7.233 -0.267 1.00 0.00 C ATOM 831 O LEU B 25 62.457 -7.691 -0.512 1.00 0.00 O ATOM 832 CB LEU B 25 61.107 -6.032 1.922 1.00 0.00 C ATOM 833 CG LEU B 25 62.310 -6.831 2.444 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.622 -6.174 1.989 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.259 -6.862 3.975 1.00 0.00 C ATOM 0 H LEU B 25 59.221 -5.152 0.574 1.00 0.00 H new ATOM 0 HA LEU B 25 62.050 -5.254 0.156 1.00 0.00 H new ATOM 0 HB2 LEU B 25 61.083 -5.050 2.395 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.181 -6.540 2.193 1.00 0.00 H new ATOM 0 HG LEU B 25 62.269 -7.845 2.047 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.467 -6.750 2.366 1.00 0.00 H new ATOM 0 HD12 LEU B 25 63.657 -6.148 0.900 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.674 -5.157 2.378 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.109 -7.427 4.356 1.00 0.00 H new ATOM 0 HD22 LEU B 25 62.298 -5.843 4.361 1.00 0.00 H new ATOM 0 HD23 LEU B 25 61.333 -7.337 4.299 1.00 0.00 H new ATOM 847 N ALA B 26 60.215 -7.874 -0.558 1.00 0.00 N ATOM 848 CA ALA B 26 60.237 -9.184 -1.197 1.00 0.00 C ATOM 849 C ALA B 26 60.938 -9.108 -2.551 1.00 0.00 C ATOM 850 O ALA B 26 61.848 -9.886 -2.830 1.00 0.00 O ATOM 851 CB ALA B 26 58.810 -9.699 -1.387 1.00 0.00 C ATOM 0 H ALA B 26 59.282 -7.511 -0.363 1.00 0.00 H new ATOM 0 HA ALA B 26 60.787 -9.871 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.837 -10.678 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA B 26 58.321 -9.783 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA B 26 58.253 -9.004 -2.015 1.00 0.00 H new ATOM 857 N VAL B 27 60.508 -8.166 -3.389 1.00 0.00 N ATOM 858 CA VAL B 27 61.113 -8.011 -4.709 1.00 0.00 C ATOM 859 C VAL B 27 62.579 -7.603 -4.590 1.00 0.00 C ATOM 860 O VAL B 27 63.427 -8.090 -5.339 1.00 0.00 O ATOM 861 CB VAL B 27 60.353 -6.961 -5.527 1.00 0.00 C ATOM 862 CG1 VAL B 27 58.977 -7.510 -5.913 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.171 -5.691 -4.696 1.00 0.00 C ATOM 0 H VAL B 27 59.756 -7.509 -3.182 1.00 0.00 H new ATOM 0 HA VAL B 27 61.056 -8.973 -5.218 1.00 0.00 H new ATOM 0 HB VAL B 27 60.922 -6.729 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.437 -6.763 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.100 -8.414 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.413 -7.744 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.630 -4.947 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.605 -5.924 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.148 -5.294 -4.419 1.00 0.00 H new ATOM 873 N TYR B 28 62.873 -6.707 -3.652 1.00 0.00 N ATOM 874 CA TYR B 28 64.245 -6.250 -3.464 1.00 0.00 C ATOM 875 C TYR B 28 65.160 -7.424 -3.125 1.00 0.00 C ATOM 876 O TYR B 28 66.245 -7.562 -3.690 1.00 0.00 O ATOM 877 CB TYR B 28 64.304 -5.214 -2.340 1.00 0.00 C ATOM 878 CG TYR B 28 65.708 -4.672 -2.231 1.00 0.00 C ATOM 879 CD1 TYR B 28 66.117 -3.621 -3.061 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.602 -5.219 -1.303 1.00 0.00 C ATOM 881 CE1 TYR B 28 67.420 -3.116 -2.962 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.905 -4.715 -1.204 1.00 0.00 C ATOM 883 CZ TYR B 28 68.313 -3.664 -2.034 1.00 0.00 C ATOM 884 OH TYR B 28 69.597 -3.168 -1.936 1.00 0.00 O ATOM 0 H TYR B 28 62.191 -6.289 -3.019 1.00 0.00 H new ATOM 0 HA TYR B 28 64.585 -5.795 -4.394 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.604 -4.403 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR B 28 64.003 -5.668 -1.396 1.00 0.00 H new ATOM 0 HD1 TYR B 28 65.428 -3.200 -3.778 1.00 0.00 H new ATOM 0 HD2 TYR B 28 66.287 -6.030 -0.663 1.00 0.00 H new ATOM 0 HE1 TYR B 28 67.735 -2.305 -3.601 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.595 -5.137 -0.488 1.00 0.00 H new ATOM 0 HH TYR B 28 70.085 -3.659 -1.243 1.00 0.00 H new ATOM 894 N PHE B 29 64.714 -8.267 -2.200 1.00 0.00 N ATOM 895 CA PHE B 29 65.497 -9.426 -1.788 1.00 0.00 C ATOM 896 C PHE B 29 65.710 -10.381 -2.960 1.00 0.00 C ATOM 897 O PHE B 29 66.825 -10.847 -3.197 1.00 0.00 O ATOM 898 CB PHE B 29 64.780 -10.160 -0.655 1.00 0.00 C ATOM 899 CG PHE B 29 65.615 -11.339 -0.210 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.778 -11.127 0.540 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.228 -12.643 -0.545 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.553 -12.217 0.954 1.00 0.00 C ATOM 903 CE2 PHE B 29 66.003 -13.733 -0.131 1.00 0.00 C ATOM 904 CZ PHE B 29 67.165 -13.520 0.620 1.00 0.00 C ATOM 0 H PHE B 29 63.818 -8.170 -1.723 1.00 0.00 H new ATOM 0 HA PHE B 29 66.470 -9.077 -1.441 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.612 -9.483 0.182 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.800 -10.501 -0.991 1.00 0.00 H new ATOM 0 HD1 PHE B 29 67.077 -10.122 0.799 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.331 -12.808 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.451 -12.053 1.531 1.00 0.00 H new ATOM 0 HE2 PHE B 29 65.704 -14.738 -0.391 1.00 0.00 H new ATOM 0 HZ PHE B 29 67.762 -14.361 0.942 1.00 0.00 H new ATOM 914 N LEU B 30 64.637 -10.670 -3.688 1.00 0.00 N ATOM 915 CA LEU B 30 64.721 -11.576 -4.829 1.00 0.00 C ATOM 916 C LEU B 30 65.650 -11.007 -5.896 1.00 0.00 C ATOM 917 O LEU B 30 66.453 -11.732 -6.483 1.00 0.00 O ATOM 918 CB LEU B 30 63.328 -11.792 -5.429 1.00 0.00 C ATOM 919 CG LEU B 30 62.434 -12.556 -4.437 1.00 0.00 C ATOM 920 CD1 LEU B 30 60.975 -12.443 -4.886 1.00 0.00 C ATOM 921 CD2 LEU B 30 62.837 -14.043 -4.378 1.00 0.00 C ATOM 0 H LEU B 30 63.706 -10.294 -3.511 1.00 0.00 H new ATOM 0 HA LEU B 30 65.121 -12.529 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU B 30 62.875 -10.830 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU B 30 63.408 -12.350 -6.362 1.00 0.00 H new ATOM 0 HG LEU B 30 62.556 -12.121 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU B 30 60.336 -12.983 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU B 30 60.682 -11.393 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU B 30 60.867 -12.872 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU B 30 62.193 -14.567 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU B 30 62.728 -14.489 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU B 30 63.875 -14.126 -4.054 1.00 0.00 H new ATOM 933 N GLY B 31 65.537 -9.706 -6.141 1.00 0.00 N ATOM 934 CA GLY B 31 66.375 -9.053 -7.140 1.00 0.00 C ATOM 935 C GLY B 31 67.839 -9.073 -6.717 1.00 0.00 C ATOM 936 O GLY B 31 68.375 -8.068 -6.249 1.00 0.00 O ATOM 0 H GLY B 31 64.879 -9.087 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY B 31 66.263 -9.556 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY B 31 66.046 -8.023 -7.280 1.00 0.00 H new ATOM 940 N ARG B 32 68.483 -10.224 -6.884 1.00 0.00 N ATOM 941 CA ARG B 32 69.887 -10.364 -6.516 1.00 0.00 C ATOM 942 C ARG B 32 70.766 -9.488 -7.403 1.00 0.00 C ATOM 943 O ARG B 32 70.279 -8.841 -8.329 1.00 0.00 O ATOM 944 CB ARG B 32 70.320 -11.827 -6.645 1.00 0.00 C ATOM 945 CG ARG B 32 70.091 -12.308 -8.080 1.00 0.00 C ATOM 946 CD ARG B 32 70.512 -13.774 -8.199 1.00 0.00 C ATOM 947 NE ARG B 32 70.291 -14.253 -9.560 1.00 0.00 N ATOM 948 CZ ARG B 32 71.201 -14.071 -10.514 1.00 0.00 C ATOM 949 NH1 ARG B 32 72.315 -13.448 -10.242 1.00 0.00 N ATOM 950 NH2 ARG B 32 70.978 -14.513 -11.722 1.00 0.00 N ATOM 0 H ARG B 32 68.058 -11.068 -7.269 1.00 0.00 H new ATOM 0 HA ARG B 32 70.004 -10.043 -5.481 1.00 0.00 H new ATOM 0 HB2 ARG B 32 71.372 -11.930 -6.380 1.00 0.00 H new ATOM 0 HB3 ARG B 32 69.754 -12.446 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG B 32 69.041 -12.197 -8.349 1.00 0.00 H new ATOM 0 HG3 ARG B 32 70.665 -11.696 -8.776 1.00 0.00 H new ATOM 0 HD2 ARG B 32 71.564 -13.880 -7.935 1.00 0.00 H new ATOM 0 HD3 ARG B 32 69.943 -14.382 -7.495 1.00 0.00 H new ATOM 0 HE ARG B 32 69.422 -14.737 -9.784 1.00 0.00 H new ATOM 0 HH11 ARG B 32 72.488 -13.101 -9.299 1.00 0.00 H new ATOM 0 HH12 ARG B 32 73.013 -13.308 -10.973 1.00 0.00 H new ATOM 0 HH21 ARG B 32 70.106 -14.998 -11.935 1.00 0.00 H new ATOM 0 HH22 ARG B 32 71.676 -14.373 -12.453 1.00 0.00 H new ATOM 964 N LEU B 33 72.062 -9.473 -7.112 1.00 0.00 N ATOM 965 CA LEU B 33 73.000 -8.672 -7.891 1.00 0.00 C ATOM 966 C LEU B 33 73.174 -9.270 -9.286 1.00 0.00 C ATOM 967 CB LEU B 33 74.360 -8.616 -7.183 1.00 0.00 C ATOM 968 CG LEU B 33 74.303 -7.656 -5.979 1.00 0.00 C ATOM 969 CD1 LEU B 33 74.154 -6.195 -6.448 1.00 0.00 C ATOM 970 CD2 LEU B 33 73.122 -8.035 -5.075 1.00 0.00 C ATOM 0 H LEU B 33 72.485 -10.002 -6.349 1.00 0.00 H new ATOM 0 HA LEU B 33 72.601 -7.662 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU B 33 74.643 -9.614 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU B 33 75.128 -8.286 -7.883 1.00 0.00 H new ATOM 0 HG LEU B 33 75.235 -7.743 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU B 33 74.116 -5.536 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU B 33 75.006 -5.924 -7.072 1.00 0.00 H new ATOM 0 HD13 LEU B 33 73.235 -6.090 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU B 33 73.083 -7.355 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU B 33 72.193 -7.962 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU B 33 73.250 -9.057 -4.718 1.00 0.00 H new TER 982 LEU B 33