USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.132 (180deg=0.119) USER MOD Single : A 6 SER OG : rot 18:sc= 0.749 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 161:sc= -2.47 (180deg=-3.99!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 169:sc= -3.07! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -6.16! C(o=-8.8!,f=-6.2!) USER MOD Single : A 32 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.54) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0118 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 134:sc= -0.217 (180deg=-0.825) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.0757 X(o=0.076,f=-0.00056) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.261 0.675 -1.013 1.00 63.31 N ATOM 2 CA MET A 1 0.250 -0.375 -0.962 1.00 1.13 C ATOM 3 C MET A 1 0.890 -1.753 -1.098 1.00 55.04 C ATOM 4 O MET A 1 0.522 -2.691 -0.391 1.00 72.10 O ATOM 5 CB MET A 1 -0.786 -0.169 -2.068 1.00 14.41 C ATOM 6 CG MET A 1 -1.973 0.679 -1.639 1.00 3.44 C ATOM 7 SD MET A 1 -1.563 2.430 -1.506 1.00 11.31 S ATOM 8 CE MET A 1 -3.135 3.106 -0.975 1.00 44.32 C ATOM 0 H1 MET A 1 0.808 1.600 -0.868 1.00 63.31 H new ATOM 0 H2 MET A 1 1.967 0.514 -0.267 1.00 63.31 H new ATOM 0 H3 MET A 1 1.730 0.661 -1.941 1.00 63.31 H new ATOM 0 HA MET A 1 -0.247 -0.319 0.006 1.00 1.13 H new ATOM 0 HB2 MET A 1 -0.303 0.303 -2.924 1.00 14.41 H new ATOM 0 HB3 MET A 1 -1.147 -1.142 -2.402 1.00 14.41 H new ATOM 0 HG2 MET A 1 -2.783 0.553 -2.357 1.00 3.44 H new ATOM 0 HG3 MET A 1 -2.341 0.322 -0.677 1.00 3.44 H new ATOM 0 HE1 MET A 1 -3.043 4.185 -0.849 1.00 44.32 H new ATOM 0 HE2 MET A 1 -3.895 2.892 -1.726 1.00 44.32 H new ATOM 0 HE3 MET A 1 -3.424 2.653 -0.027 1.00 44.32 H new ATOM 18 N ASP A 2 1.847 -1.868 -2.012 1.00 1.21 N ATOM 19 CA ASP A 2 2.538 -3.132 -2.241 1.00 1.54 C ATOM 20 C ASP A 2 3.921 -2.894 -2.839 1.00 23.14 C ATOM 21 O ASP A 2 4.302 -1.756 -3.114 1.00 1.23 O ATOM 22 CB ASP A 2 1.715 -4.027 -3.168 1.00 12.12 C ATOM 23 CG ASP A 2 1.385 -3.350 -4.484 1.00 31.04 C ATOM 24 OD1 ASP A 2 2.288 -3.243 -5.339 1.00 65.23 O ATOM 25 OD2 ASP A 2 0.223 -2.928 -4.658 1.00 51.21 O ATOM 0 H ASP A 2 2.162 -1.101 -2.607 1.00 1.21 H new ATOM 0 HA ASP A 2 2.658 -3.632 -1.280 1.00 1.54 H new ATOM 0 HB2 ASP A 2 2.266 -4.947 -3.364 1.00 12.12 H new ATOM 0 HB3 ASP A 2 0.790 -4.311 -2.667 1.00 12.12 H new ATOM 30 N ILE A 3 4.668 -3.975 -3.036 1.00 4.02 N ATOM 31 CA ILE A 3 6.009 -3.884 -3.601 1.00 11.31 C ATOM 32 C ILE A 3 6.026 -4.346 -5.054 1.00 33.21 C ATOM 33 O ILE A 3 5.091 -4.998 -5.519 1.00 73.14 O ATOM 34 CB ILE A 3 7.018 -4.723 -2.795 1.00 71.01 C ATOM 35 CG1 ILE A 3 6.632 -4.742 -1.315 1.00 14.23 C ATOM 36 CG2 ILE A 3 8.426 -4.174 -2.974 1.00 34.31 C ATOM 37 CD1 ILE A 3 7.570 -5.559 -0.456 1.00 25.54 C ATOM 0 H ILE A 3 4.368 -4.924 -2.813 1.00 4.02 H new ATOM 0 HA ILE A 3 6.301 -2.835 -3.553 1.00 11.31 H new ATOM 0 HB ILE A 3 6.998 -5.747 -3.169 1.00 71.01 H new ATOM 0 HG12 ILE A 3 6.609 -3.718 -0.941 1.00 14.23 H new ATOM 0 HG13 ILE A 3 5.622 -5.141 -1.216 1.00 14.23 H new ATOM 0 HG21 ILE A 3 9.128 -4.777 -2.398 1.00 34.31 H new ATOM 0 HG22 ILE A 3 8.698 -4.208 -4.029 1.00 34.31 H new ATOM 0 HG23 ILE A 3 8.462 -3.143 -2.623 1.00 34.31 H new ATOM 0 HD11 ILE A 3 7.235 -5.527 0.581 1.00 25.54 H new ATOM 0 HD12 ILE A 3 7.576 -6.592 -0.804 1.00 25.54 H new ATOM 0 HD13 ILE A 3 8.577 -5.148 -0.524 1.00 25.54 H new ATOM 49 N ASP A 4 7.095 -4.006 -5.765 1.00 20.12 N ATOM 50 CA ASP A 4 7.236 -4.389 -7.165 1.00 12.20 C ATOM 51 C ASP A 4 8.706 -4.448 -7.567 1.00 41.20 C ATOM 52 O ASP A 4 9.450 -3.485 -7.381 1.00 44.12 O ATOM 53 CB ASP A 4 6.488 -3.402 -8.063 1.00 72.41 C ATOM 54 CG ASP A 4 4.987 -3.450 -7.852 1.00 23.12 C ATOM 55 OD1 ASP A 4 4.327 -4.307 -8.476 1.00 53.20 O ATOM 56 OD2 ASP A 4 4.474 -2.631 -7.061 1.00 74.25 O ATOM 0 H ASP A 4 7.877 -3.466 -5.395 1.00 20.12 H new ATOM 0 HA ASP A 4 6.804 -5.382 -7.290 1.00 12.20 H new ATOM 0 HB2 ASP A 4 6.847 -2.392 -7.866 1.00 72.41 H new ATOM 0 HB3 ASP A 4 6.713 -3.623 -9.107 1.00 72.41 H new ATOM 61 N PHE A 5 9.118 -5.585 -8.118 1.00 5.31 N ATOM 62 CA PHE A 5 10.501 -5.770 -8.544 1.00 75.44 C ATOM 63 C PHE A 5 10.926 -4.666 -9.507 1.00 53.34 C ATOM 64 O PHE A 5 12.071 -4.215 -9.485 1.00 71.04 O ATOM 65 CB PHE A 5 10.672 -7.137 -9.211 1.00 33.12 C ATOM 66 CG PHE A 5 12.030 -7.342 -9.818 1.00 51.25 C ATOM 67 CD1 PHE A 5 12.164 -7.622 -11.169 1.00 23.54 C ATOM 68 CD2 PHE A 5 13.172 -7.254 -9.039 1.00 63.13 C ATOM 69 CE1 PHE A 5 13.413 -7.811 -11.731 1.00 73.11 C ATOM 70 CE2 PHE A 5 14.423 -7.441 -9.596 1.00 63.33 C ATOM 71 CZ PHE A 5 14.544 -7.721 -10.944 1.00 34.35 C ATOM 0 H PHE A 5 8.515 -6.392 -8.280 1.00 5.31 H new ATOM 0 HA PHE A 5 11.137 -5.721 -7.660 1.00 75.44 H new ATOM 0 HB2 PHE A 5 10.491 -7.918 -8.472 1.00 33.12 H new ATOM 0 HB3 PHE A 5 9.915 -7.251 -9.987 1.00 33.12 H new ATOM 0 HD1 PHE A 5 11.283 -7.693 -11.789 1.00 23.54 H new ATOM 0 HD2 PHE A 5 13.084 -7.037 -7.985 1.00 63.13 H new ATOM 0 HE1 PHE A 5 13.504 -8.029 -12.785 1.00 73.11 H new ATOM 0 HE2 PHE A 5 15.306 -7.368 -8.978 1.00 63.33 H new ATOM 0 HZ PHE A 5 15.521 -7.869 -11.381 1.00 34.35 H new ATOM 81 N SER A 6 9.994 -4.235 -10.352 1.00 44.33 N ATOM 82 CA SER A 6 10.273 -3.186 -11.327 1.00 33.14 C ATOM 83 C SER A 6 9.877 -1.818 -10.780 1.00 40.30 C ATOM 84 O SER A 6 8.700 -1.549 -10.536 1.00 60.35 O ATOM 85 CB SER A 6 9.525 -3.462 -12.632 1.00 74.22 C ATOM 86 OG SER A 6 8.123 -3.357 -12.449 1.00 23.40 O ATOM 0 H SER A 6 9.040 -4.595 -10.381 1.00 44.33 H new ATOM 0 HA SER A 6 11.345 -3.183 -11.525 1.00 33.14 H new ATOM 0 HB2 SER A 6 9.849 -2.756 -13.397 1.00 74.22 H new ATOM 0 HB3 SER A 6 9.774 -4.460 -12.993 1.00 74.22 H new ATOM 0 HG SER A 6 7.937 -2.862 -11.624 1.00 23.40 H new ATOM 92 N THR A 7 10.870 -0.954 -10.589 1.00 75.00 N ATOM 93 CA THR A 7 10.627 0.386 -10.070 1.00 42.23 C ATOM 94 C THR A 7 11.569 1.401 -10.708 1.00 50.21 C ATOM 95 O THR A 7 11.697 2.530 -10.232 1.00 75.32 O ATOM 96 CB THR A 7 10.797 0.436 -8.540 1.00 64.32 C ATOM 97 OG1 THR A 7 11.660 -0.623 -8.109 1.00 3.52 O ATOM 98 CG2 THR A 7 9.451 0.316 -7.842 1.00 23.22 C ATOM 0 H THR A 7 11.850 -1.159 -10.786 1.00 75.00 H new ATOM 0 HA THR A 7 9.597 0.641 -10.322 1.00 42.23 H new ATOM 0 HB THR A 7 11.240 1.396 -8.276 1.00 64.32 H new ATOM 0 HG1 THR A 7 11.765 -0.584 -7.135 1.00 3.52 H new ATOM 0 HG21 THR A 7 9.596 0.354 -6.762 1.00 23.22 H new ATOM 0 HG22 THR A 7 8.807 1.139 -8.150 1.00 23.22 H new ATOM 0 HG23 THR A 7 8.984 -0.631 -8.112 1.00 23.22 H new ATOM 106 N CYS A 8 12.227 0.994 -11.788 1.00 71.43 N ATOM 107 CA CYS A 8 13.157 1.867 -12.492 1.00 45.44 C ATOM 108 C CYS A 8 12.968 1.759 -14.003 1.00 3.32 C ATOM 109 O CYS A 8 12.470 0.753 -14.506 1.00 25.42 O ATOM 110 CB CYS A 8 14.600 1.516 -12.122 1.00 14.04 C ATOM 111 SG CYS A 8 15.793 2.860 -12.421 1.00 72.41 S ATOM 0 H CYS A 8 12.133 0.063 -12.195 1.00 71.43 H new ATOM 0 HA CYS A 8 12.951 2.894 -12.190 1.00 45.44 H new ATOM 0 HB2 CYS A 8 14.637 1.240 -11.068 1.00 14.04 H new ATOM 0 HB3 CYS A 8 14.907 0.639 -12.692 1.00 14.04 H new ATOM 116 N ALA A 9 13.370 2.804 -14.720 1.00 74.30 N ATOM 117 CA ALA A 9 13.247 2.826 -16.172 1.00 72.43 C ATOM 118 C ALA A 9 14.243 1.871 -16.822 1.00 0.21 C ATOM 119 O ALA A 9 14.130 1.553 -18.006 1.00 23.32 O ATOM 120 CB ALA A 9 13.448 4.239 -16.698 1.00 13.34 C ATOM 0 H ALA A 9 13.783 3.646 -14.319 1.00 74.30 H new ATOM 0 HA ALA A 9 12.242 2.493 -16.431 1.00 72.43 H new ATOM 0 HB1 ALA A 9 13.353 4.240 -17.784 1.00 13.34 H new ATOM 0 HB2 ALA A 9 12.694 4.898 -16.267 1.00 13.34 H new ATOM 0 HB3 ALA A 9 14.441 4.593 -16.420 1.00 13.34 H new ATOM 126 N ARG A 10 15.218 1.419 -16.040 1.00 61.13 N ATOM 127 CA ARG A 10 16.235 0.502 -16.541 1.00 4.32 C ATOM 128 C ARG A 10 15.831 -0.948 -16.291 1.00 53.34 C ATOM 129 O ARG A 10 16.681 -1.832 -16.195 1.00 3.22 O ATOM 130 CB ARG A 10 17.582 0.789 -15.875 1.00 25.21 C ATOM 131 CG ARG A 10 17.954 2.263 -15.861 1.00 71.42 C ATOM 132 CD ARG A 10 18.106 2.812 -17.271 1.00 74.10 C ATOM 133 NE ARG A 10 19.296 3.647 -17.408 1.00 12.01 N ATOM 134 CZ ARG A 10 19.364 4.904 -16.985 1.00 1.33 C ATOM 135 NH1 ARG A 10 18.316 5.468 -16.400 1.00 41.44 N ATOM 136 NH2 ARG A 10 20.483 5.600 -17.145 1.00 73.21 N ATOM 0 H ARG A 10 15.325 1.673 -15.058 1.00 61.13 H new ATOM 0 HA ARG A 10 16.328 0.655 -17.616 1.00 4.32 H new ATOM 0 HB2 ARG A 10 17.557 0.420 -14.850 1.00 25.21 H new ATOM 0 HB3 ARG A 10 18.361 0.232 -16.395 1.00 25.21 H new ATOM 0 HG2 ARG A 10 17.188 2.828 -15.330 1.00 71.42 H new ATOM 0 HG3 ARG A 10 18.887 2.399 -15.314 1.00 71.42 H new ATOM 0 HD2 ARG A 10 18.161 1.984 -17.978 1.00 74.10 H new ATOM 0 HD3 ARG A 10 17.222 3.395 -17.530 1.00 74.10 H new ATOM 0 HE ARG A 10 20.120 3.243 -17.853 1.00 12.01 H new ATOM 0 HH11 ARG A 10 17.455 4.936 -16.274 1.00 41.44 H new ATOM 0 HH12 ARG A 10 18.371 6.434 -16.076 1.00 41.44 H new ATOM 0 HH21 ARG A 10 21.292 5.169 -17.593 1.00 73.21 H new ATOM 0 HH22 ARG A 10 20.534 6.565 -16.820 1.00 73.21 H new ATOM 150 N MET A 11 14.527 -1.183 -16.188 1.00 31.33 N ATOM 151 CA MET A 11 14.010 -2.526 -15.950 1.00 71.12 C ATOM 152 C MET A 11 13.907 -3.308 -17.256 1.00 2.01 C ATOM 153 O MET A 11 14.695 -4.220 -17.508 1.00 4.40 O ATOM 154 CB MET A 11 12.639 -2.456 -15.275 1.00 52.31 C ATOM 155 CG MET A 11 12.647 -2.930 -13.831 1.00 5.31 C ATOM 156 SD MET A 11 12.494 -4.720 -13.687 1.00 30.54 S ATOM 157 CE MET A 11 14.185 -5.230 -13.985 1.00 72.40 C ATOM 0 H MET A 11 13.810 -0.462 -16.265 1.00 31.33 H new ATOM 0 HA MET A 11 14.706 -3.044 -15.290 1.00 71.12 H new ATOM 0 HB2 MET A 11 12.279 -1.428 -15.309 1.00 52.31 H new ATOM 0 HB3 MET A 11 11.932 -3.061 -15.843 1.00 52.31 H new ATOM 0 HG2 MET A 11 13.572 -2.609 -13.352 1.00 5.31 H new ATOM 0 HG3 MET A 11 11.827 -2.455 -13.292 1.00 5.31 H new ATOM 0 HE1 MET A 11 14.332 -6.242 -13.608 1.00 72.40 H new ATOM 0 HE2 MET A 11 14.388 -5.209 -15.056 1.00 72.40 H new ATOM 0 HE3 MET A 11 14.866 -4.550 -13.473 1.00 72.40 H new ATOM 167 N ASP A 12 12.932 -2.946 -18.082 1.00 12.12 N ATOM 168 CA ASP A 12 12.727 -3.613 -19.362 1.00 71.41 C ATOM 169 C ASP A 12 11.993 -2.701 -20.339 1.00 54.33 C ATOM 170 O ASP A 12 12.300 -2.674 -21.531 1.00 42.01 O ATOM 171 CB ASP A 12 11.939 -4.910 -19.165 1.00 43.45 C ATOM 172 CG ASP A 12 12.485 -6.051 -20.001 1.00 54.13 C ATOM 173 OD1 ASP A 12 13.217 -5.776 -20.976 1.00 35.35 O ATOM 174 OD2 ASP A 12 12.180 -7.219 -19.681 1.00 2.42 O ATOM 0 H ASP A 12 12.271 -2.194 -17.888 1.00 12.12 H new ATOM 0 HA ASP A 12 13.705 -3.851 -19.780 1.00 71.41 H new ATOM 0 HB2 ASP A 12 11.964 -5.191 -18.112 1.00 43.45 H new ATOM 0 HB3 ASP A 12 10.894 -4.740 -19.425 1.00 43.45 H new ATOM 179 N VAL A 13 11.019 -1.954 -19.827 1.00 23.31 N ATOM 180 CA VAL A 13 10.241 -1.040 -20.654 1.00 33.21 C ATOM 181 C VAL A 13 10.554 0.412 -20.312 1.00 51.23 C ATOM 182 O VAL A 13 9.816 1.078 -19.586 1.00 0.13 O ATOM 183 CB VAL A 13 8.729 -1.281 -20.486 1.00 13.00 C ATOM 184 CG1 VAL A 13 8.305 -2.546 -21.216 1.00 71.15 C ATOM 185 CG2 VAL A 13 8.362 -1.359 -19.012 1.00 5.34 C ATOM 0 H VAL A 13 10.750 -1.964 -18.843 1.00 23.31 H new ATOM 0 HA VAL A 13 10.520 -1.234 -21.690 1.00 33.21 H new ATOM 0 HB VAL A 13 8.194 -0.439 -20.926 1.00 13.00 H new ATOM 0 HG11 VAL A 13 7.234 -2.700 -21.086 1.00 71.15 H new ATOM 0 HG12 VAL A 13 8.531 -2.446 -22.278 1.00 71.15 H new ATOM 0 HG13 VAL A 13 8.846 -3.400 -20.808 1.00 71.15 H new ATOM 0 HG21 VAL A 13 7.290 -1.530 -18.912 1.00 5.34 H new ATOM 0 HG22 VAL A 13 8.905 -2.181 -18.545 1.00 5.34 H new ATOM 0 HG23 VAL A 13 8.628 -0.423 -18.521 1.00 5.34 H new ATOM 195 N PRO A 14 11.675 0.918 -20.848 1.00 72.43 N ATOM 196 CA PRO A 14 12.111 2.297 -20.615 1.00 44.42 C ATOM 197 C PRO A 14 11.207 3.315 -21.302 1.00 3.43 C ATOM 198 O PRO A 14 11.341 4.521 -21.089 1.00 62.15 O ATOM 199 CB PRO A 14 13.515 2.333 -21.224 1.00 24.20 C ATOM 200 CG PRO A 14 13.509 1.257 -22.254 1.00 72.23 C ATOM 201 CD PRO A 14 12.602 0.181 -21.724 1.00 11.12 C ATOM 0 HA PRO A 14 12.083 2.560 -19.558 1.00 44.42 H new ATOM 0 HB2 PRO A 14 13.729 3.305 -21.668 1.00 24.20 H new ATOM 0 HB3 PRO A 14 14.279 2.153 -20.468 1.00 24.20 H new ATOM 0 HG2 PRO A 14 13.149 1.635 -23.211 1.00 72.23 H new ATOM 0 HG3 PRO A 14 14.515 0.872 -22.422 1.00 72.23 H new ATOM 0 HD2 PRO A 14 12.074 -0.331 -22.528 1.00 11.12 H new ATOM 0 HD3 PRO A 14 13.158 -0.578 -21.173 1.00 11.12 H new ATOM 209 N ILE A 15 10.287 2.823 -22.124 1.00 63.13 N ATOM 210 CA ILE A 15 9.360 3.690 -22.840 1.00 44.53 C ATOM 211 C ILE A 15 8.674 4.665 -21.890 1.00 2.45 C ATOM 212 O ILE A 15 8.323 5.782 -22.274 1.00 65.11 O ATOM 213 CB ILE A 15 8.287 2.875 -23.584 1.00 74.15 C ATOM 214 CG1 ILE A 15 8.943 1.808 -24.462 1.00 62.54 C ATOM 215 CG2 ILE A 15 7.411 3.793 -24.424 1.00 11.55 C ATOM 216 CD1 ILE A 15 8.607 0.393 -24.047 1.00 34.43 C ATOM 0 H ILE A 15 10.164 1.828 -22.311 1.00 63.13 H new ATOM 0 HA ILE A 15 9.949 4.249 -23.567 1.00 44.53 H new ATOM 0 HB ILE A 15 7.657 2.376 -22.848 1.00 74.15 H new ATOM 0 HG12 ILE A 15 8.632 1.958 -25.496 1.00 62.54 H new ATOM 0 HG13 ILE A 15 10.025 1.939 -24.432 1.00 62.54 H new ATOM 0 HG21 ILE A 15 6.657 3.201 -24.944 1.00 11.55 H new ATOM 0 HG22 ILE A 15 6.919 4.519 -23.777 1.00 11.55 H new ATOM 0 HG23 ILE A 15 8.028 4.317 -25.154 1.00 11.55 H new ATOM 0 HD11 ILE A 15 9.106 -0.310 -24.714 1.00 34.43 H new ATOM 0 HD12 ILE A 15 8.943 0.224 -23.024 1.00 34.43 H new ATOM 0 HD13 ILE A 15 7.529 0.243 -24.104 1.00 34.43 H new ATOM 228 N LEU A 16 8.487 4.237 -20.646 1.00 52.40 N ATOM 229 CA LEU A 16 7.844 5.073 -19.638 1.00 11.21 C ATOM 230 C LEU A 16 8.810 5.398 -18.503 1.00 31.31 C ATOM 231 O LEU A 16 8.562 5.059 -17.346 1.00 33.14 O ATOM 232 CB LEU A 16 6.603 4.373 -19.082 1.00 71.40 C ATOM 233 CG LEU A 16 5.540 3.977 -20.107 1.00 71.43 C ATOM 234 CD1 LEU A 16 4.322 3.388 -19.413 1.00 14.11 C ATOM 235 CD2 LEU A 16 5.145 5.176 -20.956 1.00 53.13 C ATOM 0 H LEU A 16 8.771 3.316 -20.311 1.00 52.40 H new ATOM 0 HA LEU A 16 7.544 6.007 -20.114 1.00 11.21 H new ATOM 0 HB2 LEU A 16 6.923 3.474 -18.555 1.00 71.40 H new ATOM 0 HB3 LEU A 16 6.141 5.028 -18.344 1.00 71.40 H new ATOM 0 HG LEU A 16 5.962 3.216 -20.763 1.00 71.43 H new ATOM 0 HD11 LEU A 16 3.576 3.112 -20.159 1.00 14.11 H new ATOM 0 HD12 LEU A 16 4.617 2.503 -18.850 1.00 14.11 H new ATOM 0 HD13 LEU A 16 3.898 4.127 -18.732 1.00 14.11 H new ATOM 0 HD21 LEU A 16 4.388 4.875 -21.680 1.00 53.13 H new ATOM 0 HD22 LEU A 16 4.743 5.960 -20.314 1.00 53.13 H new ATOM 0 HD23 LEU A 16 6.021 5.553 -21.483 1.00 53.13 H new ATOM 247 N LYS A 17 9.912 6.058 -18.842 1.00 11.24 N ATOM 248 CA LYS A 17 10.915 6.433 -17.852 1.00 32.34 C ATOM 249 C LYS A 17 10.296 7.277 -16.742 1.00 54.15 C ATOM 250 O LYS A 17 10.566 7.063 -15.560 1.00 52.05 O ATOM 251 CB LYS A 17 12.056 7.205 -18.518 1.00 72.52 C ATOM 252 CG LYS A 17 12.982 6.328 -19.344 1.00 53.52 C ATOM 253 CD LYS A 17 13.078 6.817 -20.780 1.00 34.31 C ATOM 254 CE LYS A 17 13.935 5.890 -21.628 1.00 30.32 C ATOM 255 NZ LYS A 17 14.999 6.632 -22.358 1.00 44.11 N ATOM 0 H LYS A 17 10.133 6.345 -19.796 1.00 11.24 H new ATOM 0 HA LYS A 17 11.312 5.519 -17.411 1.00 32.34 H new ATOM 0 HB2 LYS A 17 11.634 7.979 -19.159 1.00 72.52 H new ATOM 0 HB3 LYS A 17 12.639 7.711 -17.749 1.00 72.52 H new ATOM 0 HG2 LYS A 17 13.975 6.320 -18.894 1.00 53.52 H new ATOM 0 HG3 LYS A 17 12.618 5.300 -19.332 1.00 53.52 H new ATOM 0 HD2 LYS A 17 12.079 6.885 -21.210 1.00 34.31 H new ATOM 0 HD3 LYS A 17 13.501 7.821 -20.796 1.00 34.31 H new ATOM 0 HE2 LYS A 17 14.392 5.133 -20.990 1.00 30.32 H new ATOM 0 HE3 LYS A 17 13.303 5.364 -22.343 1.00 30.32 H new ATOM 0 HZ1 LYS A 17 15.561 5.965 -22.924 1.00 44.11 H new ATOM 0 HZ2 LYS A 17 14.562 7.337 -22.986 1.00 44.11 H new ATOM 0 HZ3 LYS A 17 15.618 7.113 -21.675 1.00 44.11 H new ATOM 269 N LYS A 18 9.463 8.237 -17.131 1.00 34.24 N ATOM 270 CA LYS A 18 8.802 9.112 -16.170 1.00 2.23 C ATOM 271 C LYS A 18 7.968 8.304 -15.181 1.00 72.12 C ATOM 272 O LYS A 18 7.891 8.639 -14.000 1.00 1.33 O ATOM 273 CB LYS A 18 7.913 10.123 -16.897 1.00 52.11 C ATOM 274 CG LYS A 18 8.674 11.315 -17.450 1.00 50.44 C ATOM 275 CD LYS A 18 8.772 12.437 -16.430 1.00 25.33 C ATOM 276 CE LYS A 18 10.199 12.616 -15.934 1.00 64.34 C ATOM 277 NZ LYS A 18 10.916 13.687 -16.681 1.00 75.42 N ATOM 0 H LYS A 18 9.230 8.429 -18.105 1.00 34.24 H new ATOM 0 HA LYS A 18 9.572 9.648 -15.615 1.00 2.23 H new ATOM 0 HB2 LYS A 18 7.399 9.619 -17.716 1.00 52.11 H new ATOM 0 HB3 LYS A 18 7.146 10.480 -16.210 1.00 52.11 H new ATOM 0 HG2 LYS A 18 9.676 11.003 -17.746 1.00 50.44 H new ATOM 0 HG3 LYS A 18 8.176 11.681 -18.348 1.00 50.44 H new ATOM 0 HD2 LYS A 18 8.421 13.368 -16.876 1.00 25.33 H new ATOM 0 HD3 LYS A 18 8.117 12.221 -15.586 1.00 25.33 H new ATOM 0 HE2 LYS A 18 10.186 12.860 -14.872 1.00 64.34 H new ATOM 0 HE3 LYS A 18 10.740 11.676 -16.038 1.00 64.34 H new ATOM 0 HZ1 LYS A 18 11.885 13.778 -16.313 1.00 75.42 H new ATOM 0 HZ2 LYS A 18 10.951 13.442 -17.691 1.00 75.42 H new ATOM 0 HZ3 LYS A 18 10.414 14.590 -16.561 1.00 75.42 H new ATOM 291 N ALA A 19 7.346 7.237 -15.673 1.00 14.35 N ATOM 292 CA ALA A 19 6.520 6.380 -14.831 1.00 61.53 C ATOM 293 C ALA A 19 7.379 5.554 -13.879 1.00 12.52 C ATOM 294 O ALA A 19 7.084 5.458 -12.688 1.00 0.21 O ATOM 295 CB ALA A 19 5.658 5.468 -15.692 1.00 63.22 C ATOM 0 H ALA A 19 7.398 6.946 -16.649 1.00 14.35 H new ATOM 0 HA ALA A 19 5.870 7.018 -14.232 1.00 61.53 H new ATOM 0 HB1 ALA A 19 5.046 4.833 -15.051 1.00 63.22 H new ATOM 0 HB2 ALA A 19 5.011 6.072 -16.328 1.00 63.22 H new ATOM 0 HB3 ALA A 19 6.298 4.844 -16.315 1.00 63.22 H new ATOM 301 N ALA A 20 8.441 4.960 -14.412 1.00 5.35 N ATOM 302 CA ALA A 20 9.343 4.144 -13.608 1.00 44.40 C ATOM 303 C ALA A 20 10.045 4.985 -12.546 1.00 73.42 C ATOM 304 O ALA A 20 10.115 4.595 -11.381 1.00 63.10 O ATOM 305 CB ALA A 20 10.366 3.455 -14.499 1.00 3.02 C ATOM 0 H ALA A 20 8.698 5.028 -15.397 1.00 5.35 H new ATOM 0 HA ALA A 20 8.750 3.384 -13.099 1.00 44.40 H new ATOM 0 HB1 ALA A 20 11.033 2.849 -13.886 1.00 3.02 H new ATOM 0 HB2 ALA A 20 9.852 2.816 -15.216 1.00 3.02 H new ATOM 0 HB3 ALA A 20 10.947 4.206 -15.034 1.00 3.02 H new ATOM 311 N GLN A 21 10.562 6.138 -12.957 1.00 60.12 N ATOM 312 CA GLN A 21 11.259 7.032 -12.040 1.00 62.22 C ATOM 313 C GLN A 21 10.288 7.655 -11.044 1.00 15.43 C ATOM 314 O GLN A 21 10.660 7.978 -9.917 1.00 4.33 O ATOM 315 CB GLN A 21 11.985 8.130 -12.819 1.00 1.54 C ATOM 316 CG GLN A 21 13.489 7.923 -12.905 1.00 15.11 C ATOM 317 CD GLN A 21 14.128 8.739 -14.011 1.00 74.24 C ATOM 318 OE1 GLN A 21 14.379 8.233 -15.105 1.00 61.24 O ATOM 319 NE2 GLN A 21 14.394 10.009 -13.732 1.00 40.43 N ATOM 0 H GLN A 21 10.512 6.475 -13.918 1.00 60.12 H new ATOM 0 HA GLN A 21 11.991 6.445 -11.486 1.00 62.22 H new ATOM 0 HB2 GLN A 21 11.575 8.180 -13.828 1.00 1.54 H new ATOM 0 HB3 GLN A 21 11.786 9.092 -12.346 1.00 1.54 H new ATOM 0 HG2 GLN A 21 13.944 8.191 -11.952 1.00 15.11 H new ATOM 0 HG3 GLN A 21 13.698 6.866 -13.072 1.00 15.11 H new ATOM 0 HE21 GLN A 21 14.169 10.387 -12.812 1.00 40.43 H new ATOM 0 HE22 GLN A 21 14.823 10.607 -14.438 1.00 40.43 H new ATOM 328 N GLY A 22 9.038 7.822 -11.468 1.00 4.42 N ATOM 329 CA GLY A 22 8.033 8.407 -10.601 1.00 15.54 C ATOM 330 C GLY A 22 7.907 7.673 -9.281 1.00 35.42 C ATOM 331 O GLY A 22 7.549 8.266 -8.263 1.00 11.44 O ATOM 0 H GLY A 22 8.705 7.562 -12.396 1.00 4.42 H new ATOM 0 HA2 GLY A 22 8.285 9.450 -10.410 1.00 15.54 H new ATOM 0 HA3 GLY A 22 7.069 8.400 -11.111 1.00 15.54 H new ATOM 335 N LEU A 23 8.199 6.377 -9.297 1.00 31.11 N ATOM 336 CA LEU A 23 8.115 5.559 -8.092 1.00 60.40 C ATOM 337 C LEU A 23 9.258 5.881 -7.134 1.00 73.34 C ATOM 338 O LEU A 23 9.392 5.260 -6.080 1.00 31.54 O ATOM 339 CB LEU A 23 8.144 4.073 -8.457 1.00 51.54 C ATOM 340 CG LEU A 23 7.147 3.626 -9.527 1.00 21.10 C ATOM 341 CD1 LEU A 23 7.083 2.108 -9.596 1.00 25.03 C ATOM 342 CD2 LEU A 23 5.769 4.207 -9.248 1.00 53.21 C ATOM 0 H LEU A 23 8.496 5.870 -10.131 1.00 31.11 H new ATOM 0 HA LEU A 23 7.173 5.786 -7.594 1.00 60.40 H new ATOM 0 HB2 LEU A 23 9.149 3.822 -8.797 1.00 51.54 H new ATOM 0 HB3 LEU A 23 7.960 3.493 -7.552 1.00 51.54 H new ATOM 0 HG LEU A 23 7.488 3.999 -10.493 1.00 21.10 H new ATOM 0 HD11 LEU A 23 6.369 1.808 -10.363 1.00 25.03 H new ATOM 0 HD12 LEU A 23 8.068 1.713 -9.844 1.00 25.03 H new ATOM 0 HD13 LEU A 23 6.766 1.713 -8.631 1.00 25.03 H new ATOM 0 HD21 LEU A 23 5.073 3.878 -10.019 1.00 53.21 H new ATOM 0 HD22 LEU A 23 5.420 3.864 -8.274 1.00 53.21 H new ATOM 0 HD23 LEU A 23 5.826 5.296 -9.250 1.00 53.21 H new ATOM 354 N CYS A 24 10.078 6.857 -7.508 1.00 1.14 N ATOM 355 CA CYS A 24 11.209 7.264 -6.682 1.00 53.10 C ATOM 356 C CYS A 24 11.101 8.738 -6.300 1.00 71.34 C ATOM 357 O CYS A 24 11.184 9.092 -5.124 1.00 53.31 O ATOM 358 CB CYS A 24 12.524 7.012 -7.422 1.00 0.42 C ATOM 359 SG CYS A 24 13.661 5.884 -6.554 1.00 10.21 S ATOM 0 H CYS A 24 9.981 7.381 -8.378 1.00 1.14 H new ATOM 0 HA CYS A 24 11.194 6.668 -5.769 1.00 53.10 H new ATOM 0 HB2 CYS A 24 12.301 6.600 -8.406 1.00 0.42 H new ATOM 0 HB3 CYS A 24 13.027 7.966 -7.582 1.00 0.42 H new ATOM 364 N ILE A 25 10.916 9.590 -7.302 1.00 52.54 N ATOM 365 CA ILE A 25 10.795 11.025 -7.072 1.00 23.32 C ATOM 366 C ILE A 25 9.522 11.352 -6.299 1.00 42.20 C ATOM 367 O ILE A 25 9.549 12.110 -5.329 1.00 15.32 O ATOM 368 CB ILE A 25 10.794 11.810 -8.397 1.00 25.22 C ATOM 369 CG1 ILE A 25 12.095 11.560 -9.164 1.00 34.22 C ATOM 370 CG2 ILE A 25 10.607 13.296 -8.132 1.00 11.14 C ATOM 371 CD1 ILE A 25 11.997 10.432 -10.167 1.00 41.01 C ATOM 0 H ILE A 25 10.847 9.312 -8.281 1.00 52.54 H new ATOM 0 HA ILE A 25 11.662 11.324 -6.483 1.00 23.32 H new ATOM 0 HB ILE A 25 9.961 11.462 -9.008 1.00 25.22 H new ATOM 0 HG12 ILE A 25 12.382 12.474 -9.684 1.00 34.22 H new ATOM 0 HG13 ILE A 25 12.889 11.335 -8.452 1.00 34.22 H new ATOM 0 HG21 ILE A 25 10.609 13.837 -9.078 1.00 11.14 H new ATOM 0 HG22 ILE A 25 9.657 13.458 -7.623 1.00 11.14 H new ATOM 0 HG23 ILE A 25 11.421 13.659 -7.505 1.00 11.14 H new ATOM 0 HD11 ILE A 25 12.955 10.311 -10.673 1.00 41.01 H new ATOM 0 HD12 ILE A 25 11.740 9.507 -9.650 1.00 41.01 H new ATOM 0 HD13 ILE A 25 11.225 10.664 -10.901 1.00 41.01 H new ATOM 383 N THR A 26 8.407 10.774 -6.734 1.00 51.12 N ATOM 384 CA THR A 26 7.123 11.003 -6.084 1.00 1.44 C ATOM 385 C THR A 26 7.026 10.233 -4.772 1.00 1.02 C ATOM 386 O THR A 26 6.463 10.723 -3.793 1.00 44.40 O ATOM 387 CB THR A 26 5.950 10.594 -6.994 1.00 65.55 C ATOM 388 OG1 THR A 26 5.218 11.754 -7.402 1.00 15.33 O ATOM 389 CG2 THR A 26 5.021 9.626 -6.277 1.00 52.24 C ATOM 0 H THR A 26 8.367 10.143 -7.535 1.00 51.12 H new ATOM 0 HA THR A 26 7.059 12.072 -5.881 1.00 1.44 H new ATOM 0 HB THR A 26 6.358 10.096 -7.874 1.00 65.55 H new ATOM 0 HG1 THR A 26 4.475 11.485 -7.982 1.00 15.33 H new ATOM 0 HG21 THR A 26 4.200 9.351 -6.939 1.00 52.24 H new ATOM 0 HG22 THR A 26 5.575 8.731 -5.996 1.00 52.24 H new ATOM 0 HG23 THR A 26 4.621 10.101 -5.381 1.00 52.24 H new ATOM 397 N SER A 27 7.579 9.024 -4.759 1.00 13.24 N ATOM 398 CA SER A 27 7.552 8.184 -3.567 1.00 15.31 C ATOM 399 C SER A 27 8.253 8.874 -2.400 1.00 70.54 C ATOM 400 O SER A 27 7.886 8.684 -1.240 1.00 61.03 O ATOM 401 CB SER A 27 8.216 6.836 -3.852 1.00 4.20 C ATOM 402 OG SER A 27 7.686 5.820 -3.019 1.00 72.33 O ATOM 0 H SER A 27 8.051 8.605 -5.560 1.00 13.24 H new ATOM 0 HA SER A 27 6.510 8.016 -3.294 1.00 15.31 H new ATOM 0 HB2 SER A 27 8.067 6.568 -4.898 1.00 4.20 H new ATOM 0 HB3 SER A 27 9.291 6.916 -3.694 1.00 4.20 H new ATOM 0 HG SER A 27 7.992 4.945 -3.336 1.00 72.33 H new ATOM 408 N CYS A 28 9.265 9.675 -2.717 1.00 31.43 N ATOM 409 CA CYS A 28 10.020 10.393 -1.697 1.00 72.21 C ATOM 410 C CYS A 28 9.197 11.541 -1.119 1.00 62.11 C ATOM 411 O CYS A 28 9.165 11.746 0.094 1.00 5.02 O ATOM 412 CB CYS A 28 11.326 10.932 -2.285 1.00 34.24 C ATOM 413 SG CYS A 28 12.821 10.387 -1.397 1.00 54.44 S ATOM 0 H CYS A 28 9.581 9.843 -3.672 1.00 31.43 H new ATOM 0 HA CYS A 28 10.252 9.695 -0.893 1.00 72.21 H new ATOM 0 HB2 CYS A 28 11.400 10.618 -3.326 1.00 34.24 H new ATOM 0 HB3 CYS A 28 11.291 12.021 -2.282 1.00 34.24 H new ATOM 418 N SER A 29 8.533 12.286 -1.997 1.00 10.03 N ATOM 419 CA SER A 29 7.713 13.416 -1.575 1.00 31.43 C ATOM 420 C SER A 29 6.663 12.975 -0.559 1.00 51.22 C ATOM 421 O SER A 29 6.284 13.738 0.329 1.00 43.32 O ATOM 422 CB SER A 29 7.031 14.058 -2.784 1.00 41.12 C ATOM 423 OG SER A 29 6.835 15.447 -2.581 1.00 61.21 O ATOM 0 H SER A 29 8.547 12.128 -3.005 1.00 10.03 H new ATOM 0 HA SER A 29 8.365 14.151 -1.103 1.00 31.43 H new ATOM 0 HB2 SER A 29 7.639 13.900 -3.675 1.00 41.12 H new ATOM 0 HB3 SER A 29 6.071 13.574 -2.963 1.00 41.12 H new ATOM 0 HG SER A 29 6.399 15.834 -3.369 1.00 61.21 H new ATOM 429 N MET A 30 6.197 11.738 -0.698 1.00 51.30 N ATOM 430 CA MET A 30 5.191 11.195 0.208 1.00 63.14 C ATOM 431 C MET A 30 5.797 10.895 1.575 1.00 32.51 C ATOM 432 O MET A 30 5.076 10.718 2.557 1.00 61.52 O ATOM 433 CB MET A 30 4.577 9.924 -0.382 1.00 22.44 C ATOM 434 CG MET A 30 4.331 10.005 -1.879 1.00 51.44 C ATOM 435 SD MET A 30 2.728 9.332 -2.358 1.00 1.15 S ATOM 436 CE MET A 30 1.642 10.676 -1.886 1.00 30.14 C ATOM 0 H MET A 30 6.499 11.093 -1.428 1.00 51.30 H new ATOM 0 HA MET A 30 4.408 11.943 0.334 1.00 63.14 H new ATOM 0 HB2 MET A 30 5.238 9.082 -0.176 1.00 22.44 H new ATOM 0 HB3 MET A 30 3.633 9.719 0.122 1.00 22.44 H new ATOM 0 HG2 MET A 30 4.394 11.046 -2.198 1.00 51.44 H new ATOM 0 HG3 MET A 30 5.119 9.463 -2.402 1.00 51.44 H new ATOM 0 HE1 MET A 30 0.611 10.410 -2.120 1.00 30.14 H new ATOM 0 HE2 MET A 30 1.735 10.860 -0.816 1.00 30.14 H new ATOM 0 HE3 MET A 30 1.918 11.577 -2.435 1.00 30.14 H new ATOM 446 N GLN A 31 7.124 10.838 1.631 1.00 55.55 N ATOM 447 CA GLN A 31 7.824 10.558 2.878 1.00 3.31 C ATOM 448 C GLN A 31 8.505 11.814 3.414 1.00 61.42 C ATOM 449 O GLN A 31 9.422 11.734 4.230 1.00 60.41 O ATOM 450 CB GLN A 31 8.860 9.452 2.669 1.00 52.13 C ATOM 451 CG GLN A 31 8.502 8.488 1.549 1.00 43.32 C ATOM 452 CD GLN A 31 8.733 7.039 1.930 1.00 13.22 C ATOM 453 OE1 GLN A 31 9.621 6.370 1.204 1.00 63.32 O flip ATOM 454 NE2 GLN A 31 8.119 6.527 2.867 1.00 34.24 N flip ATOM 0 H GLN A 31 7.735 10.982 0.827 1.00 55.55 H new ATOM 0 HA GLN A 31 7.089 10.224 3.611 1.00 3.31 H new ATOM 0 HB2 GLN A 31 9.826 9.907 2.451 1.00 52.13 H new ATOM 0 HB3 GLN A 31 8.974 8.892 3.597 1.00 52.13 H new ATOM 0 HG2 GLN A 31 7.456 8.626 1.277 1.00 43.32 H new ATOM 0 HG3 GLN A 31 9.095 8.727 0.666 1.00 43.32 H new ATOM 0 HE21 GLN A 31 7.445 7.079 3.398 1.00 34.24 H new ATOM 0 HE22 GLN A 31 8.284 5.551 3.112 1.00 34.24 H new ATOM 463 N ASN A 32 8.050 12.972 2.948 1.00 11.21 N ATOM 464 CA ASN A 32 8.616 14.245 3.380 1.00 60.00 C ATOM 465 C ASN A 32 10.067 14.376 2.928 1.00 24.01 C ATOM 466 O ASN A 32 10.916 14.877 3.666 1.00 1.22 O ATOM 467 CB ASN A 32 8.530 14.375 4.902 1.00 23.21 C ATOM 468 CG ASN A 32 7.251 13.784 5.462 1.00 73.34 C ATOM 469 OD1 ASN A 32 7.267 12.731 6.099 1.00 21.40 O ATOM 470 ND2 ASN A 32 6.133 14.461 5.225 1.00 63.14 N ATOM 0 H ASN A 32 7.291 13.056 2.271 1.00 11.21 H new ATOM 0 HA ASN A 32 8.037 15.046 2.921 1.00 60.00 H new ATOM 0 HB2 ASN A 32 9.386 13.876 5.355 1.00 23.21 H new ATOM 0 HB3 ASN A 32 8.592 15.428 5.178 1.00 23.21 H new ATOM 0 HD21 ASN A 32 5.241 14.112 5.576 1.00 63.14 H new ATOM 0 HD22 ASN A 32 6.166 15.330 4.692 1.00 63.14 H new ATOM 477 N CYS A 33 10.345 13.923 1.710 1.00 24.44 N ATOM 478 CA CYS A 33 11.693 13.989 1.159 1.00 62.54 C ATOM 479 C CYS A 33 11.792 15.076 0.093 1.00 50.31 C ATOM 480 O CYS A 33 10.863 15.860 -0.097 1.00 41.12 O ATOM 481 CB CYS A 33 12.089 12.637 0.561 1.00 30.34 C ATOM 482 SG CYS A 33 12.249 11.300 1.789 1.00 60.14 S ATOM 0 H CYS A 33 9.654 13.506 1.086 1.00 24.44 H new ATOM 0 HA CYS A 33 12.378 14.235 1.970 1.00 62.54 H new ATOM 0 HB2 CYS A 33 11.345 12.348 -0.181 1.00 30.34 H new ATOM 0 HB3 CYS A 33 13.037 12.748 0.035 1.00 30.34 H new ATOM 487 N GLY A 34 12.926 15.117 -0.600 1.00 70.23 N ATOM 488 CA GLY A 34 13.126 16.111 -1.638 1.00 52.31 C ATOM 489 C GLY A 34 13.100 15.510 -3.030 1.00 5.45 C ATOM 490 O GLY A 34 12.292 15.905 -3.871 1.00 31.15 O ATOM 0 H GLY A 34 13.710 14.479 -0.461 1.00 70.23 H new ATOM 0 HA2 GLY A 34 12.351 16.874 -1.560 1.00 52.31 H new ATOM 0 HA3 GLY A 34 14.082 16.610 -1.479 1.00 52.31 H new ATOM 494 N THR A 35 13.990 14.553 -3.275 1.00 53.14 N ATOM 495 CA THR A 35 14.068 13.899 -4.575 1.00 63.42 C ATOM 496 C THR A 35 14.466 12.434 -4.430 1.00 53.12 C ATOM 497 O THR A 35 14.655 11.939 -3.320 1.00 1.10 O ATOM 498 CB THR A 35 15.079 14.604 -5.499 1.00 60.11 C ATOM 499 OG1 THR A 35 14.915 14.145 -6.846 1.00 24.35 O ATOM 500 CG2 THR A 35 16.506 14.344 -5.039 1.00 54.02 C ATOM 0 H THR A 35 14.666 14.214 -2.591 1.00 53.14 H new ATOM 0 HA THR A 35 13.075 13.961 -5.020 1.00 63.42 H new ATOM 0 HB THR A 35 14.890 15.677 -5.456 1.00 60.11 H new ATOM 0 HG1 THR A 35 15.560 14.599 -7.427 1.00 24.35 H new ATOM 0 HG21 THR A 35 17.202 14.852 -5.707 1.00 54.02 H new ATOM 0 HG22 THR A 35 16.636 14.721 -4.025 1.00 54.02 H new ATOM 0 HG23 THR A 35 16.704 13.272 -5.056 1.00 54.02 H new ATOM 508 N GLY A 36 14.591 11.745 -5.560 1.00 63.24 N ATOM 509 CA GLY A 36 14.966 10.343 -5.537 1.00 4.14 C ATOM 510 C GLY A 36 15.278 9.803 -6.918 1.00 74.32 C ATOM 511 O GLY A 36 14.490 9.969 -7.849 1.00 50.43 O ATOM 0 H GLY A 36 14.439 12.133 -6.491 1.00 63.24 H new ATOM 0 HA2 GLY A 36 15.837 10.214 -4.895 1.00 4.14 H new ATOM 0 HA3 GLY A 36 14.156 9.761 -5.097 1.00 4.14 H new ATOM 515 N SER A 37 16.430 9.155 -7.053 1.00 24.33 N ATOM 516 CA SER A 37 16.847 8.593 -8.332 1.00 73.23 C ATOM 517 C SER A 37 17.041 7.083 -8.225 1.00 42.42 C ATOM 518 O SER A 37 17.481 6.574 -7.194 1.00 60.32 O ATOM 519 CB SER A 37 18.143 9.253 -8.806 1.00 11.23 C ATOM 520 OG SER A 37 18.080 9.568 -10.186 1.00 24.20 O ATOM 0 H SER A 37 17.092 9.006 -6.291 1.00 24.33 H new ATOM 0 HA SER A 37 16.060 8.790 -9.060 1.00 73.23 H new ATOM 0 HB2 SER A 37 18.324 10.161 -8.231 1.00 11.23 H new ATOM 0 HB3 SER A 37 18.984 8.585 -8.620 1.00 11.23 H new ATOM 0 HG SER A 37 18.920 9.990 -10.464 1.00 24.20 H new ATOM 526 N CYS A 38 16.710 6.373 -9.298 1.00 41.03 N ATOM 527 CA CYS A 38 16.847 4.922 -9.327 1.00 72.15 C ATOM 528 C CYS A 38 17.937 4.498 -10.308 1.00 35.20 C ATOM 529 O CYS A 38 18.062 5.060 -11.396 1.00 10.41 O ATOM 530 CB CYS A 38 15.517 4.271 -9.713 1.00 60.01 C ATOM 531 SG CYS A 38 15.028 4.549 -11.446 1.00 12.23 S ATOM 0 H CYS A 38 16.345 6.779 -10.159 1.00 41.03 H new ATOM 0 HA CYS A 38 17.131 4.589 -8.329 1.00 72.15 H new ATOM 0 HB2 CYS A 38 15.584 3.198 -9.533 1.00 60.01 H new ATOM 0 HB3 CYS A 38 14.734 4.655 -9.060 1.00 60.01 H new ATOM 536 N LYS A 39 18.723 3.501 -9.915 1.00 52.41 N ATOM 537 CA LYS A 39 19.801 2.999 -10.758 1.00 43.21 C ATOM 538 C LYS A 39 19.896 1.479 -10.673 1.00 12.21 C ATOM 539 O LYS A 39 19.423 0.870 -9.713 1.00 53.12 O ATOM 540 CB LYS A 39 21.134 3.628 -10.345 1.00 21.41 C ATOM 541 CG LYS A 39 21.085 5.142 -10.239 1.00 4.05 C ATOM 542 CD LYS A 39 21.124 5.799 -11.608 1.00 60.22 C ATOM 543 CE LYS A 39 21.504 7.268 -11.511 1.00 43.31 C ATOM 544 NZ LYS A 39 22.363 7.695 -12.650 1.00 52.45 N ATOM 0 H LYS A 39 18.633 3.025 -9.017 1.00 52.41 H new ATOM 0 HA LYS A 39 19.580 3.274 -11.789 1.00 43.21 H new ATOM 0 HB2 LYS A 39 21.439 3.215 -9.384 1.00 21.41 H new ATOM 0 HB3 LYS A 39 21.899 3.347 -11.070 1.00 21.41 H new ATOM 0 HG2 LYS A 39 20.177 5.442 -9.717 1.00 4.05 H new ATOM 0 HG3 LYS A 39 21.927 5.493 -9.642 1.00 4.05 H new ATOM 0 HD2 LYS A 39 21.841 5.278 -12.242 1.00 60.22 H new ATOM 0 HD3 LYS A 39 20.149 5.705 -12.086 1.00 60.22 H new ATOM 0 HE2 LYS A 39 20.600 7.876 -11.490 1.00 43.31 H new ATOM 0 HE3 LYS A 39 22.030 7.446 -10.573 1.00 43.31 H new ATOM 0 HZ1 LYS A 39 22.600 8.702 -12.547 1.00 52.45 H new ATOM 0 HZ2 LYS A 39 23.237 7.132 -12.655 1.00 52.45 H new ATOM 0 HZ3 LYS A 39 21.852 7.549 -13.544 1.00 52.45 H new ATOM 558 N LYS A 40 20.511 0.872 -11.682 1.00 20.32 N ATOM 559 CA LYS A 40 20.671 -0.577 -11.720 1.00 73.13 C ATOM 560 C LYS A 40 21.834 -1.020 -10.838 1.00 52.14 C ATOM 561 O LYS A 40 22.995 -0.742 -11.140 1.00 55.20 O ATOM 562 CB LYS A 40 20.899 -1.048 -13.159 1.00 4.55 C ATOM 563 CG LYS A 40 19.642 -1.565 -13.836 1.00 65.13 C ATOM 564 CD LYS A 40 19.177 -2.875 -13.222 1.00 53.42 C ATOM 565 CE LYS A 40 18.232 -3.621 -14.152 1.00 22.34 C ATOM 566 NZ LYS A 40 18.880 -3.954 -15.451 1.00 1.24 N ATOM 0 H LYS A 40 20.907 1.361 -12.485 1.00 20.32 H new ATOM 0 HA LYS A 40 19.756 -1.029 -11.337 1.00 73.13 H new ATOM 0 HB2 LYS A 40 21.302 -0.221 -13.743 1.00 4.55 H new ATOM 0 HB3 LYS A 40 21.652 -1.836 -13.159 1.00 4.55 H new ATOM 0 HG2 LYS A 40 18.850 -0.821 -13.752 1.00 65.13 H new ATOM 0 HG3 LYS A 40 19.833 -1.708 -14.900 1.00 65.13 H new ATOM 0 HD2 LYS A 40 20.041 -3.501 -13.000 1.00 53.42 H new ATOM 0 HD3 LYS A 40 18.676 -2.677 -12.275 1.00 53.42 H new ATOM 0 HE2 LYS A 40 17.895 -4.538 -13.668 1.00 22.34 H new ATOM 0 HE3 LYS A 40 17.346 -3.013 -14.334 1.00 22.34 H new ATOM 0 HZ1 LYS A 40 18.677 -4.944 -15.696 1.00 1.24 H new ATOM 0 HZ2 LYS A 40 18.508 -3.330 -16.195 1.00 1.24 H new ATOM 0 HZ3 LYS A 40 19.908 -3.821 -15.370 1.00 1.24 H new ATOM 580 N ARG A 41 21.515 -1.711 -9.749 1.00 72.32 N ATOM 581 CA ARG A 41 22.534 -2.193 -8.824 1.00 53.31 C ATOM 582 C ARG A 41 22.840 -3.667 -9.072 1.00 13.14 C ATOM 583 O ARG A 41 22.025 -4.539 -8.771 1.00 31.31 O ATOM 584 CB ARG A 41 22.076 -1.991 -7.378 1.00 62.43 C ATOM 585 CG ARG A 41 21.890 -0.532 -6.996 1.00 30.21 C ATOM 586 CD ARG A 41 23.202 0.233 -7.063 1.00 43.23 C ATOM 587 NE ARG A 41 24.182 -0.275 -6.107 1.00 20.10 N ATOM 588 CZ ARG A 41 24.182 0.040 -4.817 1.00 13.34 C ATOM 589 NH1 ARG A 41 23.258 0.858 -4.331 1.00 31.11 N ATOM 590 NH2 ARG A 41 25.107 -0.463 -4.009 1.00 54.11 N ATOM 0 H ARG A 41 20.559 -1.950 -9.485 1.00 72.32 H new ATOM 0 HA ARG A 41 23.445 -1.618 -8.993 1.00 53.31 H new ATOM 0 HB2 ARG A 41 21.135 -2.520 -7.227 1.00 62.43 H new ATOM 0 HB3 ARG A 41 22.807 -2.443 -6.708 1.00 62.43 H new ATOM 0 HG2 ARG A 41 21.163 -0.070 -7.664 1.00 30.21 H new ATOM 0 HG3 ARG A 41 21.481 -0.468 -5.988 1.00 30.21 H new ATOM 0 HD2 ARG A 41 23.610 0.165 -8.071 1.00 43.23 H new ATOM 0 HD3 ARG A 41 23.016 1.289 -6.865 1.00 43.23 H new ATOM 0 HE ARG A 41 24.906 -0.907 -6.449 1.00 20.10 H new ATOM 0 HH11 ARG A 41 22.545 1.247 -4.949 1.00 31.11 H new ATOM 0 HH12 ARG A 41 23.260 1.098 -3.340 1.00 31.11 H new ATOM 0 HH21 ARG A 41 25.819 -1.093 -4.379 1.00 54.11 H new ATOM 0 HH22 ARG A 41 25.106 -0.220 -3.018 1.00 54.11 H new ATOM 604 N SER A 42 24.019 -3.937 -9.622 1.00 1.02 N ATOM 605 CA SER A 42 24.431 -5.305 -9.914 1.00 1.12 C ATOM 606 C SER A 42 23.415 -5.997 -10.817 1.00 61.22 C ATOM 607 O SER A 42 23.225 -7.210 -10.741 1.00 62.33 O ATOM 608 CB SER A 42 24.600 -6.097 -8.616 1.00 71.30 C ATOM 609 OG SER A 42 25.747 -6.927 -8.671 1.00 21.32 O ATOM 0 H SER A 42 24.706 -3.227 -9.875 1.00 1.02 H new ATOM 0 HA SER A 42 25.388 -5.267 -10.435 1.00 1.12 H new ATOM 0 HB2 SER A 42 24.685 -5.409 -7.775 1.00 71.30 H new ATOM 0 HB3 SER A 42 23.714 -6.707 -8.440 1.00 71.30 H new ATOM 0 HG SER A 42 25.834 -7.421 -7.829 1.00 21.32 H new ATOM 615 N GLY A 43 22.764 -5.215 -11.673 1.00 33.31 N ATOM 616 CA GLY A 43 21.775 -5.769 -12.579 1.00 34.31 C ATOM 617 C GLY A 43 20.402 -5.874 -11.945 1.00 13.20 C ATOM 618 O GLY A 43 19.521 -6.559 -12.465 1.00 60.01 O ATOM 0 H GLY A 43 22.904 -4.208 -11.755 1.00 33.31 H new ATOM 0 HA2 GLY A 43 21.713 -5.145 -13.470 1.00 34.31 H new ATOM 0 HA3 GLY A 43 22.098 -6.758 -12.904 1.00 34.31 H new ATOM 622 N ARG A 44 20.219 -5.194 -10.818 1.00 31.03 N ATOM 623 CA ARG A 44 18.944 -5.216 -10.111 1.00 2.15 C ATOM 624 C ARG A 44 18.348 -3.814 -10.022 1.00 33.24 C ATOM 625 O ARG A 44 19.028 -2.843 -9.690 1.00 63.22 O ATOM 626 CB ARG A 44 19.126 -5.795 -8.706 1.00 53.51 C ATOM 627 CG ARG A 44 19.593 -7.241 -8.699 1.00 43.30 C ATOM 628 CD ARG A 44 18.460 -8.194 -9.043 1.00 31.41 C ATOM 629 NE ARG A 44 18.809 -9.584 -8.761 1.00 21.13 N ATOM 630 CZ ARG A 44 17.986 -10.606 -8.970 1.00 43.31 C ATOM 631 NH1 ARG A 44 16.773 -10.394 -9.461 1.00 62.25 N ATOM 632 NH2 ARG A 44 18.377 -11.842 -8.688 1.00 73.12 N ATOM 0 H ARG A 44 20.937 -4.621 -10.375 1.00 31.03 H new ATOM 0 HA ARG A 44 18.257 -5.850 -10.671 1.00 2.15 H new ATOM 0 HB2 ARG A 44 19.848 -5.186 -8.162 1.00 53.51 H new ATOM 0 HB3 ARG A 44 18.181 -5.725 -8.168 1.00 53.51 H new ATOM 0 HG2 ARG A 44 20.405 -7.366 -9.416 1.00 43.30 H new ATOM 0 HG3 ARG A 44 19.994 -7.490 -7.717 1.00 43.30 H new ATOM 0 HD2 ARG A 44 17.571 -7.921 -8.474 1.00 31.41 H new ATOM 0 HD3 ARG A 44 18.207 -8.091 -10.098 1.00 31.41 H new ATOM 0 HE ARG A 44 19.736 -9.781 -8.383 1.00 21.13 H new ATOM 0 HH11 ARG A 44 16.470 -9.445 -9.679 1.00 62.25 H new ATOM 0 HH12 ARG A 44 16.143 -11.180 -9.621 1.00 62.25 H new ATOM 0 HH21 ARG A 44 19.310 -12.008 -8.310 1.00 73.12 H new ATOM 0 HH22 ARG A 44 17.745 -12.626 -8.849 1.00 73.12 H new ATOM 646 N PRO A 45 17.046 -3.705 -10.325 1.00 13.43 N ATOM 647 CA PRO A 45 16.329 -2.426 -10.286 1.00 71.43 C ATOM 648 C PRO A 45 16.142 -1.909 -8.864 1.00 71.21 C ATOM 649 O PRO A 45 15.155 -2.229 -8.200 1.00 51.44 O ATOM 650 CB PRO A 45 14.974 -2.760 -10.916 1.00 64.33 C ATOM 651 CG PRO A 45 14.795 -4.220 -10.678 1.00 1.13 C ATOM 652 CD PRO A 45 16.173 -4.820 -10.728 1.00 10.02 C ATOM 0 HA PRO A 45 16.874 -1.638 -10.805 1.00 71.43 H new ATOM 0 HB2 PRO A 45 14.171 -2.183 -10.457 1.00 64.33 H new ATOM 0 HB3 PRO A 45 14.965 -2.528 -11.981 1.00 64.33 H new ATOM 0 HG2 PRO A 45 14.325 -4.403 -9.712 1.00 1.13 H new ATOM 0 HG3 PRO A 45 14.149 -4.663 -11.436 1.00 1.13 H new ATOM 0 HD2 PRO A 45 16.266 -5.669 -10.050 1.00 10.02 H new ATOM 0 HD3 PRO A 45 16.418 -5.181 -11.727 1.00 10.02 H new ATOM 660 N THR A 46 17.096 -1.108 -8.400 1.00 52.55 N ATOM 661 CA THR A 46 17.036 -0.546 -7.057 1.00 24.53 C ATOM 662 C THR A 46 16.654 0.929 -7.093 1.00 75.41 C ATOM 663 O THR A 46 17.209 1.706 -7.870 1.00 23.12 O ATOM 664 CB THR A 46 18.383 -0.698 -6.325 1.00 2.42 C ATOM 665 OG1 THR A 46 18.724 -2.083 -6.208 1.00 23.45 O ATOM 666 CG2 THR A 46 18.321 -0.067 -4.942 1.00 5.41 C ATOM 0 H THR A 46 17.920 -0.834 -8.935 1.00 52.55 H new ATOM 0 HA THR A 46 16.271 -1.102 -6.516 1.00 24.53 H new ATOM 0 HB THR A 46 19.148 -0.185 -6.908 1.00 2.42 H new ATOM 0 HG1 THR A 46 19.582 -2.170 -5.743 1.00 23.45 H new ATOM 0 HG21 THR A 46 19.283 -0.187 -4.444 1.00 5.41 H new ATOM 0 HG22 THR A 46 18.091 0.994 -5.036 1.00 5.41 H new ATOM 0 HG23 THR A 46 17.545 -0.556 -4.353 1.00 5.41 H new ATOM 674 N CYS A 47 15.701 1.309 -6.248 1.00 62.11 N ATOM 675 CA CYS A 47 15.244 2.692 -6.183 1.00 35.41 C ATOM 676 C CYS A 47 15.886 3.422 -5.007 1.00 52.33 C ATOM 677 O CYS A 47 15.717 3.032 -3.852 1.00 73.31 O ATOM 678 CB CYS A 47 13.720 2.741 -6.057 1.00 75.12 C ATOM 679 SG CYS A 47 12.937 4.072 -7.023 1.00 55.31 S ATOM 0 H CYS A 47 15.230 0.678 -5.599 1.00 62.11 H new ATOM 0 HA CYS A 47 15.543 3.191 -7.105 1.00 35.41 H new ATOM 0 HB2 CYS A 47 13.309 1.784 -6.377 1.00 75.12 H new ATOM 0 HB3 CYS A 47 13.457 2.866 -5.007 1.00 75.12 H new ATOM 684 N VAL A 48 16.624 4.486 -5.310 1.00 75.24 N ATOM 685 CA VAL A 48 17.290 5.273 -4.280 1.00 23.43 C ATOM 686 C VAL A 48 16.659 6.654 -4.148 1.00 75.20 C ATOM 687 O VAL A 48 16.183 7.227 -5.128 1.00 53.14 O ATOM 688 CB VAL A 48 18.792 5.434 -4.580 1.00 63.34 C ATOM 689 CG1 VAL A 48 19.554 5.798 -3.315 1.00 41.34 C ATOM 690 CG2 VAL A 48 19.350 4.162 -5.201 1.00 24.21 C ATOM 0 H VAL A 48 16.775 4.822 -6.261 1.00 75.24 H new ATOM 0 HA VAL A 48 17.170 4.731 -3.342 1.00 23.43 H new ATOM 0 HB VAL A 48 18.917 6.246 -5.296 1.00 63.34 H new ATOM 0 HG11 VAL A 48 20.613 5.907 -3.547 1.00 41.34 H new ATOM 0 HG12 VAL A 48 19.171 6.738 -2.917 1.00 41.34 H new ATOM 0 HG13 VAL A 48 19.425 5.010 -2.573 1.00 41.34 H new ATOM 0 HG21 VAL A 48 20.412 4.293 -5.407 1.00 24.21 H new ATOM 0 HG22 VAL A 48 19.214 3.330 -4.510 1.00 24.21 H new ATOM 0 HG23 VAL A 48 18.824 3.950 -6.132 1.00 24.21 H new ATOM 700 N CYS A 49 16.658 7.184 -2.930 1.00 15.14 N ATOM 701 CA CYS A 49 16.085 8.499 -2.668 1.00 35.22 C ATOM 702 C CYS A 49 17.161 9.480 -2.213 1.00 14.44 C ATOM 703 O CYS A 49 18.278 9.083 -1.881 1.00 40.24 O ATOM 704 CB CYS A 49 14.988 8.398 -1.605 1.00 43.13 C ATOM 705 SG CYS A 49 13.314 8.751 -2.229 1.00 75.02 S ATOM 0 H CYS A 49 17.048 6.723 -2.108 1.00 15.14 H new ATOM 0 HA CYS A 49 15.649 8.870 -3.596 1.00 35.22 H new ATOM 0 HB2 CYS A 49 15.001 7.395 -1.179 1.00 43.13 H new ATOM 0 HB3 CYS A 49 15.216 9.091 -0.796 1.00 43.13 H new ATOM 710 N TYR A 50 16.816 10.763 -2.199 1.00 34.02 N ATOM 711 CA TYR A 50 17.752 11.802 -1.786 1.00 71.15 C ATOM 712 C TYR A 50 17.010 13.025 -1.257 1.00 52.33 C ATOM 713 O TYR A 50 15.784 13.103 -1.335 1.00 14.01 O ATOM 714 CB TYR A 50 18.649 12.203 -2.958 1.00 43.34 C ATOM 715 CG TYR A 50 19.533 11.082 -3.456 1.00 61.00 C ATOM 716 CD1 TYR A 50 19.115 10.245 -4.484 1.00 13.53 C ATOM 717 CD2 TYR A 50 20.786 10.858 -2.898 1.00 53.23 C ATOM 718 CE1 TYR A 50 19.918 9.219 -4.941 1.00 44.23 C ATOM 719 CE2 TYR A 50 21.597 9.835 -3.350 1.00 54.45 C ATOM 720 CZ TYR A 50 21.159 9.019 -4.372 1.00 34.41 C ATOM 721 OH TYR A 50 21.963 7.998 -4.824 1.00 72.32 O ATOM 0 H TYR A 50 15.895 11.108 -2.469 1.00 34.02 H new ATOM 0 HA TYR A 50 18.371 11.401 -0.984 1.00 71.15 H new ATOM 0 HB2 TYR A 50 18.024 12.554 -3.779 1.00 43.34 H new ATOM 0 HB3 TYR A 50 19.276 13.041 -2.654 1.00 43.34 H new ATOM 0 HD1 TYR A 50 18.145 10.400 -4.933 1.00 13.53 H new ATOM 0 HD2 TYR A 50 21.132 11.495 -2.097 1.00 53.23 H new ATOM 0 HE1 TYR A 50 19.577 8.577 -5.739 1.00 44.23 H new ATOM 0 HE2 TYR A 50 22.568 9.675 -2.906 1.00 54.45 H new ATOM 0 HH TYR A 50 22.803 7.995 -4.319 1.00 72.32 H new ATOM 731 N ARG A 51 17.763 13.979 -0.720 1.00 11.32 N ATOM 732 CA ARG A 51 17.178 15.199 -0.177 1.00 0.52 C ATOM 733 C ARG A 51 16.043 14.875 0.790 1.00 22.22 C ATOM 734 O ARG A 51 15.109 15.660 0.955 1.00 43.44 O ATOM 735 CB ARG A 51 16.659 16.089 -1.308 1.00 45.02 C ATOM 736 CG ARG A 51 17.721 16.450 -2.335 1.00 31.24 C ATOM 737 CD ARG A 51 17.601 17.901 -2.773 1.00 62.24 C ATOM 738 NE ARG A 51 18.905 18.551 -2.877 1.00 31.15 N ATOM 739 CZ ARG A 51 19.749 18.350 -3.882 1.00 70.53 C ATOM 740 NH1 ARG A 51 19.427 17.521 -4.866 1.00 44.02 N ATOM 741 NH2 ARG A 51 20.917 18.978 -3.905 1.00 43.14 N ATOM 0 H ARG A 51 18.779 13.931 -0.649 1.00 11.32 H new ATOM 0 HA ARG A 51 17.956 15.733 0.369 1.00 0.52 H new ATOM 0 HB2 ARG A 51 15.837 15.580 -1.811 1.00 45.02 H new ATOM 0 HB3 ARG A 51 16.253 17.006 -0.880 1.00 45.02 H new ATOM 0 HG2 ARG A 51 18.711 16.277 -1.913 1.00 31.24 H new ATOM 0 HG3 ARG A 51 17.626 15.798 -3.203 1.00 31.24 H new ATOM 0 HD2 ARG A 51 17.095 17.948 -3.737 1.00 62.24 H new ATOM 0 HD3 ARG A 51 16.981 18.445 -2.060 1.00 62.24 H new ATOM 0 HE ARG A 51 19.183 19.195 -2.136 1.00 31.15 H new ATOM 0 HH11 ARG A 51 18.530 17.037 -4.852 1.00 44.02 H new ATOM 0 HH12 ARG A 51 20.077 17.368 -5.637 1.00 44.02 H new ATOM 0 HH21 ARG A 51 21.168 19.616 -3.150 1.00 43.14 H new ATOM 0 HH22 ARG A 51 21.564 18.823 -4.678 1.00 43.14 H new ATOM 755 N CYS A 52 16.130 13.712 1.428 1.00 44.14 N ATOM 756 CA CYS A 52 15.112 13.282 2.377 1.00 34.15 C ATOM 757 C CYS A 52 15.191 14.096 3.666 1.00 54.13 C ATOM 758 O CYS A 52 16.092 14.916 3.840 1.00 54.04 O ATOM 759 CB CYS A 52 15.273 11.793 2.691 1.00 2.23 C ATOM 760 SG CYS A 52 13.698 10.903 2.902 1.00 61.41 S ATOM 0 H CYS A 52 16.896 13.051 1.304 1.00 44.14 H new ATOM 0 HA CYS A 52 14.135 13.447 1.923 1.00 34.15 H new ATOM 0 HB2 CYS A 52 15.839 11.322 1.887 1.00 2.23 H new ATOM 0 HB3 CYS A 52 15.863 11.686 3.601 1.00 2.23 H new ATOM 765 N ALA A 53 14.241 13.863 4.566 1.00 71.13 N ATOM 766 CA ALA A 53 14.204 14.572 5.839 1.00 51.25 C ATOM 767 C ALA A 53 14.613 13.658 6.988 1.00 3.14 C ATOM 768 O ALA A 53 15.178 14.111 7.983 1.00 51.30 O ATOM 769 CB ALA A 53 12.815 15.143 6.084 1.00 2.34 C ATOM 0 H ALA A 53 13.487 13.189 4.437 1.00 71.13 H new ATOM 0 HA ALA A 53 14.919 15.393 5.791 1.00 51.25 H new ATOM 0 HB1 ALA A 53 12.801 15.670 7.038 1.00 2.34 H new ATOM 0 HB2 ALA A 53 12.560 15.837 5.283 1.00 2.34 H new ATOM 0 HB3 ALA A 53 12.087 14.332 6.107 1.00 2.34 H new ATOM 775 N ASN A 54 14.324 12.369 6.845 1.00 31.22 N ATOM 776 CA ASN A 54 14.661 11.391 7.873 1.00 21.03 C ATOM 777 C ASN A 54 16.040 10.789 7.620 1.00 72.31 C ATOM 778 O ASN A 54 16.368 9.723 8.140 1.00 44.23 O ATOM 779 CB ASN A 54 13.608 10.282 7.917 1.00 70.01 C ATOM 780 CG ASN A 54 13.424 9.713 9.311 1.00 44.43 C ATOM 781 OD1 ASN A 54 12.551 10.150 10.061 1.00 22.41 O ATOM 782 ND2 ASN A 54 14.249 8.735 9.664 1.00 65.54 N ATOM 0 H ASN A 54 13.857 11.977 6.027 1.00 31.22 H new ATOM 0 HA ASN A 54 14.679 11.904 8.835 1.00 21.03 H new ATOM 0 HB2 ASN A 54 12.656 10.674 7.559 1.00 70.01 H new ATOM 0 HB3 ASN A 54 13.899 9.482 7.236 1.00 70.01 H new ATOM 0 HD21 ASN A 54 14.174 8.314 10.590 1.00 65.54 H new ATOM 0 HD22 ASN A 54 14.958 8.404 9.009 1.00 65.54 H new ATOM 789 N GLY A 55 16.843 11.480 6.817 1.00 4.01 N ATOM 790 CA GLY A 55 18.177 10.999 6.509 1.00 63.40 C ATOM 791 C GLY A 55 18.927 11.926 5.573 1.00 13.23 C ATOM 792 O GLY A 55 20.152 12.022 5.632 1.00 32.14 O ATOM 0 H GLY A 55 16.594 12.364 6.374 1.00 4.01 H new ATOM 0 HA2 GLY A 55 18.742 10.887 7.434 1.00 63.40 H new ATOM 0 HA3 GLY A 55 18.108 10.010 6.057 1.00 63.40 H new ATOM 796 N GLY A 56 18.189 12.611 4.705 1.00 53.23 N ATOM 797 CA GLY A 56 18.809 13.525 3.763 1.00 14.34 C ATOM 798 C GLY A 56 19.828 12.840 2.875 1.00 21.03 C ATOM 799 O GLY A 56 21.009 13.185 2.893 1.00 53.32 O ATOM 0 H GLY A 56 17.173 12.550 4.637 1.00 53.23 H new ATOM 0 HA2 GLY A 56 18.038 13.980 3.142 1.00 14.34 H new ATOM 0 HA3 GLY A 56 19.294 14.333 4.311 1.00 14.34 H new ATOM 803 N GLY A 57 19.371 11.863 2.097 1.00 45.52 N ATOM 804 CA GLY A 57 20.266 11.142 1.210 1.00 13.03 C ATOM 805 C GLY A 57 19.683 9.821 0.749 1.00 61.12 C ATOM 806 O GLY A 57 18.478 9.712 0.520 1.00 3.13 O ATOM 0 H GLY A 57 18.398 11.558 2.065 1.00 45.52 H new ATOM 0 HA2 GLY A 57 20.488 11.761 0.341 1.00 13.03 H new ATOM 0 HA3 GLY A 57 21.211 10.960 1.722 1.00 13.03 H new ATOM 810 N ASP A 58 20.540 8.815 0.610 1.00 54.14 N ATOM 811 CA ASP A 58 20.103 7.494 0.171 1.00 2.44 C ATOM 812 C ASP A 58 19.180 6.856 1.205 1.00 40.52 C ATOM 813 O ASP A 58 19.629 6.413 2.262 1.00 13.24 O ATOM 814 CB ASP A 58 21.312 6.591 -0.078 1.00 30.04 C ATOM 815 CG ASP A 58 22.308 6.628 1.065 1.00 34.02 C ATOM 816 OD1 ASP A 58 23.077 7.608 1.151 1.00 53.40 O ATOM 817 OD2 ASP A 58 22.317 5.677 1.874 1.00 0.02 O ATOM 0 H ASP A 58 21.540 8.889 0.795 1.00 54.14 H new ATOM 0 HA ASP A 58 19.549 7.612 -0.760 1.00 2.44 H new ATOM 0 HB2 ASP A 58 20.972 5.566 -0.227 1.00 30.04 H new ATOM 0 HB3 ASP A 58 21.808 6.899 -0.998 1.00 30.04 H new ATOM 822 N ILE A 59 17.889 6.815 0.892 1.00 64.31 N ATOM 823 CA ILE A 59 16.904 6.231 1.793 1.00 12.24 C ATOM 824 C ILE A 59 15.876 5.408 1.025 1.00 33.32 C ATOM 825 O ILE A 59 15.032 5.939 0.303 1.00 42.21 O ATOM 826 CB ILE A 59 16.172 7.316 2.606 1.00 25.11 C ATOM 827 CG1 ILE A 59 17.165 8.372 3.097 1.00 53.33 C ATOM 828 CG2 ILE A 59 15.433 6.690 3.780 1.00 42.45 C ATOM 829 CD1 ILE A 59 17.994 7.920 4.278 1.00 63.21 C ATOM 0 H ILE A 59 17.501 7.179 0.022 1.00 64.31 H new ATOM 0 HA ILE A 59 17.449 5.581 2.477 1.00 12.24 H new ATOM 0 HB ILE A 59 15.442 7.803 1.960 1.00 25.11 H new ATOM 0 HG12 ILE A 59 17.831 8.641 2.277 1.00 53.33 H new ATOM 0 HG13 ILE A 59 16.618 9.274 3.372 1.00 53.33 H new ATOM 0 HG21 ILE A 59 14.921 7.469 4.345 1.00 42.45 H new ATOM 0 HG22 ILE A 59 14.702 5.971 3.409 1.00 42.45 H new ATOM 0 HG23 ILE A 59 16.146 6.181 4.429 1.00 42.45 H new ATOM 0 HD11 ILE A 59 18.675 8.719 4.572 1.00 63.21 H new ATOM 0 HD12 ILE A 59 17.336 7.679 5.113 1.00 63.21 H new ATOM 0 HD13 ILE A 59 18.569 7.036 4.002 1.00 63.21 H new ATOM 841 N PRO A 60 15.944 4.078 1.185 1.00 64.34 N ATOM 842 CA PRO A 60 15.025 3.152 0.516 1.00 64.21 C ATOM 843 C PRO A 60 13.607 3.243 1.068 1.00 10.10 C ATOM 844 O PRO A 60 13.404 3.583 2.235 1.00 45.15 O ATOM 845 CB PRO A 60 15.628 1.777 0.814 1.00 31.44 C ATOM 846 CG PRO A 60 16.400 1.967 2.074 1.00 31.33 C ATOM 847 CD PRO A 60 16.924 3.375 2.030 1.00 1.33 C ATOM 0 HA PRO A 60 14.930 3.369 -0.548 1.00 64.21 H new ATOM 0 HB2 PRO A 60 14.851 1.022 0.936 1.00 31.44 H new ATOM 0 HB3 PRO A 60 16.273 1.443 0.001 1.00 31.44 H new ATOM 0 HG2 PRO A 60 15.766 1.814 2.947 1.00 31.33 H new ATOM 0 HG3 PRO A 60 17.217 1.249 2.143 1.00 31.33 H new ATOM 0 HD2 PRO A 60 16.983 3.813 3.026 1.00 1.33 H new ATOM 0 HD3 PRO A 60 17.926 3.418 1.603 1.00 1.33 H new ATOM 855 N LEU A 61 12.628 2.937 0.224 1.00 52.20 N ATOM 856 CA LEU A 61 11.227 2.984 0.628 1.00 51.20 C ATOM 857 C LEU A 61 11.010 2.222 1.931 1.00 2.24 C ATOM 858 O LEU A 61 10.059 2.485 2.665 1.00 15.34 O ATOM 859 CB LEU A 61 10.339 2.400 -0.472 1.00 33.54 C ATOM 860 CG LEU A 61 9.680 3.410 -1.411 1.00 42.50 C ATOM 861 CD1 LEU A 61 8.583 4.176 -0.687 1.00 61.44 C ATOM 862 CD2 LEU A 61 10.719 4.369 -1.975 1.00 54.22 C ATOM 0 H LEU A 61 12.778 2.654 -0.744 1.00 52.20 H new ATOM 0 HA LEU A 61 10.956 4.027 0.790 1.00 51.20 H new ATOM 0 HB2 LEU A 61 10.940 1.716 -1.071 1.00 33.54 H new ATOM 0 HB3 LEU A 61 9.555 1.807 -0.001 1.00 33.54 H new ATOM 0 HG LEU A 61 9.228 2.866 -2.240 1.00 42.50 H new ATOM 0 HD11 LEU A 61 8.125 4.890 -1.371 1.00 61.44 H new ATOM 0 HD12 LEU A 61 7.825 3.478 -0.332 1.00 61.44 H new ATOM 0 HD13 LEU A 61 9.011 4.710 0.162 1.00 61.44 H new ATOM 0 HD21 LEU A 61 10.233 5.081 -2.642 1.00 54.22 H new ATOM 0 HD22 LEU A 61 11.200 4.907 -1.158 1.00 54.22 H new ATOM 0 HD23 LEU A 61 11.470 3.807 -2.530 1.00 54.22 H new ATOM 874 N GLY A 62 11.902 1.277 2.214 1.00 52.11 N ATOM 875 CA GLY A 62 11.792 0.493 3.430 1.00 35.10 C ATOM 876 C GLY A 62 12.336 1.223 4.642 1.00 64.52 C ATOM 877 O GLY A 62 11.800 1.098 5.742 1.00 24.05 O ATOM 0 H GLY A 62 12.699 1.041 1.623 1.00 52.11 H new ATOM 0 HA2 GLY A 62 10.746 0.240 3.602 1.00 35.10 H new ATOM 0 HA3 GLY A 62 12.331 -0.446 3.303 1.00 35.10 H new ATOM 881 N ALA A 63 13.406 1.985 4.440 1.00 40.10 N ATOM 882 CA ALA A 63 14.023 2.738 5.525 1.00 65.51 C ATOM 883 C ALA A 63 13.188 3.960 5.890 1.00 21.11 C ATOM 884 O ALA A 63 13.271 4.470 7.008 1.00 32.34 O ATOM 885 CB ALA A 63 15.435 3.156 5.140 1.00 12.15 C ATOM 0 H ALA A 63 13.863 2.097 3.535 1.00 40.10 H new ATOM 0 HA ALA A 63 14.073 2.091 6.401 1.00 65.51 H new ATOM 0 HB1 ALA A 63 15.884 3.718 5.959 1.00 12.15 H new ATOM 0 HB2 ALA A 63 16.034 2.269 4.937 1.00 12.15 H new ATOM 0 HB3 ALA A 63 15.399 3.782 4.248 1.00 12.15 H new ATOM 891 N LEU A 64 12.384 4.426 4.941 1.00 44.42 N ATOM 892 CA LEU A 64 11.534 5.590 5.162 1.00 14.55 C ATOM 893 C LEU A 64 10.214 5.185 5.811 1.00 71.22 C ATOM 894 O LEU A 64 9.322 6.013 5.998 1.00 44.53 O ATOM 895 CB LEU A 64 11.265 6.310 3.839 1.00 21.15 C ATOM 896 CG LEU A 64 12.028 7.617 3.619 1.00 20.41 C ATOM 897 CD1 LEU A 64 12.072 7.966 2.140 1.00 62.13 C ATOM 898 CD2 LEU A 64 11.393 8.746 4.417 1.00 51.00 C ATOM 0 H LEU A 64 12.303 4.015 4.011 1.00 44.42 H new ATOM 0 HA LEU A 64 12.057 6.267 5.837 1.00 14.55 H new ATOM 0 HB2 LEU A 64 11.507 5.630 3.022 1.00 21.15 H new ATOM 0 HB3 LEU A 64 10.197 6.520 3.773 1.00 21.15 H new ATOM 0 HG LEU A 64 13.051 7.482 3.970 1.00 20.41 H new ATOM 0 HD11 LEU A 64 12.619 8.899 2.002 1.00 62.13 H new ATOM 0 HD12 LEU A 64 12.573 7.168 1.593 1.00 62.13 H new ATOM 0 HD13 LEU A 64 11.056 8.082 1.763 1.00 62.13 H new ATOM 0 HD21 LEU A 64 11.949 9.668 4.248 1.00 51.00 H new ATOM 0 HD22 LEU A 64 10.360 8.881 4.097 1.00 51.00 H new ATOM 0 HD23 LEU A 64 11.415 8.498 5.478 1.00 51.00 H new ATOM 910 N ILE A 65 10.097 3.906 6.153 1.00 3.33 N ATOM 911 CA ILE A 65 8.888 3.392 6.784 1.00 51.11 C ATOM 912 C ILE A 65 8.755 3.901 8.215 1.00 25.23 C ATOM 913 O ILE A 65 9.730 3.936 8.966 1.00 4.44 O ATOM 914 CB ILE A 65 8.870 1.852 6.795 1.00 53.24 C ATOM 915 CG1 ILE A 65 8.870 1.310 5.364 1.00 53.54 C ATOM 916 CG2 ILE A 65 7.658 1.342 7.560 1.00 52.11 C ATOM 917 CD1 ILE A 65 8.851 -0.200 5.289 1.00 35.24 C ATOM 0 H ILE A 65 10.825 3.207 6.004 1.00 3.33 H new ATOM 0 HA ILE A 65 8.046 3.753 6.193 1.00 51.11 H new ATOM 0 HB ILE A 65 9.769 1.496 7.298 1.00 53.24 H new ATOM 0 HG12 ILE A 65 8.001 1.703 4.836 1.00 53.54 H new ATOM 0 HG13 ILE A 65 9.754 1.680 4.844 1.00 53.54 H new ATOM 0 HG21 ILE A 65 7.659 0.252 7.559 1.00 52.11 H new ATOM 0 HG22 ILE A 65 7.698 1.704 8.587 1.00 52.11 H new ATOM 0 HG23 ILE A 65 6.748 1.704 7.083 1.00 52.11 H new ATOM 0 HD11 ILE A 65 8.852 -0.512 4.245 1.00 35.24 H new ATOM 0 HD12 ILE A 65 9.733 -0.600 5.788 1.00 35.24 H new ATOM 0 HD13 ILE A 65 7.954 -0.577 5.780 1.00 35.24 H new ATOM 929 N LYS A 66 7.542 4.293 8.588 1.00 32.32 N ATOM 930 CA LYS A 66 7.279 4.797 9.931 1.00 71.22 C ATOM 931 C LYS A 66 6.254 3.924 10.649 1.00 41.44 C ATOM 932 O LYS A 66 5.889 4.193 11.793 1.00 4.13 O ATOM 933 CB LYS A 66 6.778 6.242 9.866 1.00 25.33 C ATOM 934 CG LYS A 66 7.697 7.169 9.090 1.00 53.35 C ATOM 935 CD LYS A 66 6.961 8.410 8.612 1.00 4.42 C ATOM 936 CE LYS A 66 6.056 8.101 7.430 1.00 53.51 C ATOM 937 NZ LYS A 66 6.219 9.094 6.332 1.00 63.33 N ATOM 0 H LYS A 66 6.724 4.271 7.979 1.00 32.32 H new ATOM 0 HA LYS A 66 8.213 4.767 10.493 1.00 71.22 H new ATOM 0 HB2 LYS A 66 5.790 6.255 9.406 1.00 25.33 H new ATOM 0 HB3 LYS A 66 6.663 6.624 10.880 1.00 25.33 H new ATOM 0 HG2 LYS A 66 8.536 7.463 9.720 1.00 53.35 H new ATOM 0 HG3 LYS A 66 8.112 6.638 8.233 1.00 53.35 H new ATOM 0 HD2 LYS A 66 6.367 8.819 9.429 1.00 4.42 H new ATOM 0 HD3 LYS A 66 7.683 9.176 8.328 1.00 4.42 H new ATOM 0 HE2 LYS A 66 6.279 7.103 7.053 1.00 53.51 H new ATOM 0 HE3 LYS A 66 5.017 8.092 7.760 1.00 53.51 H new ATOM 0 HZ1 LYS A 66 5.585 8.848 5.545 1.00 63.33 H new ATOM 0 HZ2 LYS A 66 5.982 10.043 6.684 1.00 63.33 H new ATOM 0 HZ3 LYS A 66 7.204 9.085 5.999 1.00 63.33 H new ATOM 951 N ARG A 67 5.795 2.879 9.969 1.00 34.43 N ATOM 952 CA ARG A 67 4.812 1.967 10.543 1.00 62.32 C ATOM 953 C ARG A 67 5.497 0.871 11.355 1.00 55.01 C ATOM 954 O ARG A 67 4.844 -0.043 11.857 1.00 60.34 O ATOM 955 CB ARG A 67 3.960 1.340 9.438 1.00 51.44 C ATOM 956 CG ARG A 67 2.688 0.683 9.948 1.00 63.51 C ATOM 957 CD ARG A 67 2.811 -0.833 9.958 1.00 33.22 C ATOM 958 NE ARG A 67 2.233 -1.437 8.760 1.00 24.14 N ATOM 959 CZ ARG A 67 2.498 -2.676 8.361 1.00 5.02 C ATOM 960 NH1 ARG A 67 3.327 -3.439 9.061 1.00 10.42 N ATOM 961 NH2 ARG A 67 1.934 -3.155 7.260 1.00 52.40 N ATOM 0 H ARG A 67 6.087 2.642 9.021 1.00 34.43 H new ATOM 0 HA ARG A 67 4.167 2.540 11.209 1.00 62.32 H new ATOM 0 HB2 ARG A 67 3.696 2.110 8.714 1.00 51.44 H new ATOM 0 HB3 ARG A 67 4.556 0.596 8.909 1.00 51.44 H new ATOM 0 HG2 ARG A 67 2.472 1.039 10.955 1.00 63.51 H new ATOM 0 HG3 ARG A 67 1.848 0.977 9.319 1.00 63.51 H new ATOM 0 HD2 ARG A 67 3.862 -1.111 10.033 1.00 33.22 H new ATOM 0 HD3 ARG A 67 2.312 -1.231 10.842 1.00 33.22 H new ATOM 0 HE ARG A 67 1.591 -0.877 8.199 1.00 24.14 H new ATOM 0 HH11 ARG A 67 3.763 -3.075 9.908 1.00 10.42 H new ATOM 0 HH12 ARG A 67 3.529 -4.390 8.752 1.00 10.42 H new ATOM 0 HH21 ARG A 67 1.296 -2.572 6.719 1.00 52.40 H new ATOM 0 HH22 ARG A 67 2.138 -4.107 6.955 1.00 52.40 H new ATOM 975 N GLY A 68 6.817 0.970 11.479 1.00 13.43 N ATOM 976 CA GLY A 68 7.567 -0.019 12.230 1.00 5.44 C ATOM 977 C GLY A 68 7.721 -1.325 11.477 1.00 34.13 C ATOM 978 O GLY A 68 7.415 -2.394 12.006 1.00 14.43 O ATOM 0 H GLY A 68 7.380 1.717 11.073 1.00 13.43 H new ATOM 0 HA2 GLY A 68 8.554 0.380 12.465 1.00 5.44 H new ATOM 0 HA3 GLY A 68 7.065 -0.207 13.179 1.00 5.44 H new TER 982 GLY A 68