USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 256 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 ASP N :NH3+ -103:sc= 0.0629 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 11 SER OG : rot 76:sc= 0.972 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0152 K(o=-0.015,f=-0.71) USER MOD Single : A 20 ASN : amide:sc= 0.425 K(o=0.43,f=-0.14) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 0.698 (180deg=0.334) USER MOD Single : A 31 SER OG : rot 72:sc= 0.447 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.931 -7.280 -4.441 1.00 0.00 N ATOM 2 CA ASP A 1 -7.741 -7.837 -3.782 1.00 0.00 C ATOM 3 C ASP A 1 -7.168 -6.819 -2.813 1.00 0.00 C ATOM 4 O ASP A 1 -7.284 -5.618 -3.030 1.00 0.00 O ATOM 5 CB ASP A 1 -6.668 -8.270 -4.772 1.00 0.00 C ATOM 6 CG ASP A 1 -6.106 -7.080 -5.507 1.00 0.00 C ATOM 7 OD1 ASP A 1 -6.755 -6.680 -6.494 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.995 -6.644 -5.149 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.787 -7.688 -4.014 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.943 -6.247 -4.321 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.906 -7.510 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.059 -8.731 -3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -5.868 -8.788 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.090 -8.978 -5.486 1.00 0.00 H new ATOM 15 N ILE A 2 -6.599 -7.295 -1.713 1.00 0.00 N ATOM 16 CA ILE A 2 -6.271 -6.440 -0.580 1.00 0.00 C ATOM 17 C ILE A 2 -5.025 -5.608 -0.883 1.00 0.00 C ATOM 18 O ILE A 2 -4.845 -4.544 -0.310 1.00 0.00 O ATOM 19 CB ILE A 2 -6.133 -7.325 0.664 1.00 0.00 C ATOM 20 CG1 ILE A 2 -6.393 -6.766 2.051 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.817 -8.076 0.730 1.00 0.00 C ATOM 22 CD1 ILE A 2 -5.698 -5.461 2.363 1.00 0.00 C ATOM 0 H ILE A 2 -6.354 -8.276 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.064 -5.717 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.992 -7.963 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.467 -6.624 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.084 -7.508 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.789 -8.682 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.723 -8.723 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.992 -7.364 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.949 -5.148 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.619 -5.595 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.024 -4.697 1.657 1.00 0.00 H new ATOM 34 N CYS A 3 -4.162 -6.037 -1.804 1.00 0.00 N ATOM 35 CA CYS A 3 -3.100 -5.152 -2.274 1.00 0.00 C ATOM 36 C CYS A 3 -3.735 -3.890 -2.844 1.00 0.00 C ATOM 37 O CYS A 3 -3.366 -2.772 -2.486 1.00 0.00 O ATOM 38 CB CYS A 3 -2.239 -5.826 -3.345 1.00 0.00 C ATOM 39 SG CYS A 3 -0.632 -6.389 -2.761 1.00 0.00 S ATOM 0 H CYS A 3 -4.175 -6.964 -2.228 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.450 -4.908 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.785 -6.679 -3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.089 -5.126 -4.167 1.00 0.00 H new ATOM 44 N ASP A 4 -4.720 -4.076 -3.724 1.00 0.00 N ATOM 45 CA ASP A 4 -5.421 -2.967 -4.349 1.00 0.00 C ATOM 46 C ASP A 4 -6.088 -2.088 -3.287 1.00 0.00 C ATOM 47 O ASP A 4 -5.989 -0.860 -3.347 1.00 0.00 O ATOM 48 CB ASP A 4 -6.414 -3.495 -5.389 1.00 0.00 C ATOM 49 CG ASP A 4 -7.093 -2.360 -6.103 1.00 0.00 C ATOM 50 OD1 ASP A 4 -6.388 -1.658 -6.858 1.00 0.00 O ATOM 51 OD2 ASP A 4 -8.311 -2.176 -5.891 1.00 0.00 O ATOM 0 H ASP A 4 -5.048 -4.996 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.708 -2.334 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.892 -4.124 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.160 -4.122 -4.901 1.00 0.00 H new ATOM 56 N ILE A 5 -6.725 -2.714 -2.295 1.00 0.00 N ATOM 57 CA ILE A 5 -7.265 -2.021 -1.127 1.00 0.00 C ATOM 58 C ILE A 5 -6.174 -1.163 -0.472 1.00 0.00 C ATOM 59 O ILE A 5 -6.323 0.048 -0.342 1.00 0.00 O ATOM 60 CB ILE A 5 -7.859 -3.022 -0.115 1.00 0.00 C ATOM 61 CG1 ILE A 5 -9.022 -3.800 -0.733 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.299 -2.348 1.189 1.00 0.00 C ATOM 63 CD1 ILE A 5 -9.772 -4.707 0.243 1.00 0.00 C ATOM 0 H ILE A 5 -6.881 -3.722 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.072 -1.366 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.061 -3.721 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.728 -3.090 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.640 -4.408 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.709 -3.098 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.440 -1.867 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.061 -1.599 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.579 -5.218 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.084 -5.444 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -10.189 -4.106 1.051 1.00 0.00 H new ATOM 75 N ALA A 6 -5.083 -1.782 -0.023 1.00 0.00 N ATOM 76 CA ALA A 6 -4.017 -1.130 0.721 1.00 0.00 C ATOM 77 C ALA A 6 -3.481 0.068 -0.053 1.00 0.00 C ATOM 78 O ALA A 6 -3.180 1.096 0.545 1.00 0.00 O ATOM 79 CB ALA A 6 -2.898 -2.130 1.028 1.00 0.00 C ATOM 0 H ALA A 6 -4.916 -2.777 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.420 -0.767 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.106 -1.630 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.297 -2.951 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.494 -2.521 0.095 1.00 0.00 H new ATOM 85 N ILE A 7 -3.379 -0.045 -1.376 1.00 0.00 N ATOM 86 CA ILE A 7 -2.986 1.069 -2.224 1.00 0.00 C ATOM 87 C ILE A 7 -4.051 2.170 -2.186 1.00 0.00 C ATOM 88 O ILE A 7 -3.711 3.336 -1.998 1.00 0.00 O ATOM 89 CB ILE A 7 -2.653 0.567 -3.634 1.00 0.00 C ATOM 90 CG1 ILE A 7 -1.398 -0.323 -3.553 1.00 0.00 C ATOM 91 CG2 ILE A 7 -2.378 1.750 -4.575 1.00 0.00 C ATOM 92 CD1 ILE A 7 -1.282 -1.232 -4.773 1.00 0.00 C ATOM 0 H ILE A 7 -3.566 -0.909 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.073 1.527 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.498 0.001 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.509 0.304 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.437 -0.929 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.143 1.375 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.261 2.388 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.535 2.327 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.386 -1.847 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.160 -1.876 -4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.217 -0.624 -5.675 1.00 0.00 H new ATOM 104 N ALA A 8 -5.336 1.830 -2.321 1.00 0.00 N ATOM 105 CA ALA A 8 -6.416 2.813 -2.227 1.00 0.00 C ATOM 106 C ALA A 8 -6.363 3.556 -0.888 1.00 0.00 C ATOM 107 O ALA A 8 -6.630 4.753 -0.797 1.00 0.00 O ATOM 108 CB ALA A 8 -7.768 2.114 -2.398 1.00 0.00 C ATOM 0 H ALA A 8 -5.653 0.877 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.290 3.547 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.569 2.849 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.806 1.629 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.892 1.366 -1.615 1.00 0.00 H new ATOM 114 N GLN A 9 -6.033 2.817 0.165 1.00 0.00 N ATOM 115 CA GLN A 9 -5.903 3.275 1.542 1.00 0.00 C ATOM 116 C GLN A 9 -4.559 3.980 1.779 1.00 0.00 C ATOM 117 O GLN A 9 -4.378 4.634 2.805 1.00 0.00 O ATOM 118 CB GLN A 9 -6.013 2.025 2.418 1.00 0.00 C ATOM 119 CG GLN A 9 -7.376 1.336 2.236 1.00 0.00 C ATOM 120 CD GLN A 9 -8.339 1.614 3.377 1.00 0.00 C ATOM 121 OE1 GLN A 9 -8.538 2.760 3.773 1.00 0.00 O ATOM 122 NE2 GLN A 9 -8.930 0.579 3.952 1.00 0.00 N ATOM 0 H GLN A 9 -5.837 1.820 0.073 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.678 4.004 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.214 1.329 2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.878 2.298 3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.824 1.671 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.224 0.260 2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.752 -0.365 3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.563 0.725 4.738 1.00 0.00 H new ATOM 131 N CYS A 10 -3.615 3.784 0.859 1.00 0.00 N ATOM 132 CA CYS A 10 -2.175 4.008 0.909 1.00 0.00 C ATOM 133 C CYS A 10 -1.688 4.109 2.353 1.00 0.00 C ATOM 134 O CYS A 10 -1.232 5.157 2.804 1.00 0.00 O ATOM 135 CB CYS A 10 -1.720 5.239 0.133 1.00 0.00 C ATOM 136 SG CYS A 10 -2.755 6.704 0.122 1.00 0.00 S ATOM 0 H CYS A 10 -3.880 3.417 -0.055 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.729 3.140 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.745 5.530 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.571 4.936 -0.903 1.00 0.00 H new ATOM 141 N SER A 11 -1.762 2.992 3.067 1.00 0.00 N ATOM 142 CA SER A 11 -1.306 2.852 4.440 1.00 0.00 C ATOM 143 C SER A 11 -0.435 1.601 4.473 1.00 0.00 C ATOM 144 O SER A 11 -0.911 0.511 4.152 1.00 0.00 O ATOM 145 CB SER A 11 -2.517 2.727 5.366 1.00 0.00 C ATOM 146 OG SER A 11 -2.129 2.628 6.728 1.00 0.00 O ATOM 0 H SER A 11 -2.156 2.130 2.690 1.00 0.00 H new ATOM 0 HA SER A 11 -0.734 3.715 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.166 3.593 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.098 1.848 5.088 1.00 0.00 H new ATOM 0 HG SER A 11 -1.861 3.511 7.057 1.00 0.00 H new ATOM 152 N LEU A 12 0.842 1.750 4.822 1.00 0.00 N ATOM 153 CA LEU A 12 1.799 0.658 4.707 1.00 0.00 C ATOM 154 C LEU A 12 1.411 -0.488 5.634 1.00 0.00 C ATOM 155 O LEU A 12 1.593 -1.649 5.287 1.00 0.00 O ATOM 156 CB LEU A 12 3.221 1.140 4.980 1.00 0.00 C ATOM 157 CG LEU A 12 3.703 2.140 3.919 1.00 0.00 C ATOM 158 CD1 LEU A 12 4.967 2.820 4.426 1.00 0.00 C ATOM 159 CD2 LEU A 12 4.038 1.465 2.588 1.00 0.00 C ATOM 0 H LEU A 12 1.235 2.618 5.187 1.00 0.00 H new ATOM 0 HA LEU A 12 1.775 0.287 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.263 1.607 5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.896 0.284 5.004 1.00 0.00 H new ATOM 0 HG LEU A 12 2.894 2.850 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.320 3.533 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.750 3.344 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.737 2.070 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.374 2.216 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.829 0.731 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.150 0.966 2.200 1.00 0.00 H new ATOM 171 N THR A 13 0.824 -0.190 6.791 1.00 0.00 N ATOM 172 CA THR A 13 0.287 -1.235 7.645 1.00 0.00 C ATOM 173 C THR A 13 -0.608 -2.203 6.878 1.00 0.00 C ATOM 174 O THR A 13 -0.450 -3.422 6.978 1.00 0.00 O ATOM 175 CB THR A 13 -0.451 -0.583 8.815 1.00 0.00 C ATOM 176 OG1 THR A 13 0.487 0.083 9.637 1.00 0.00 O ATOM 177 CG2 THR A 13 -1.212 -1.607 9.650 1.00 0.00 C ATOM 0 H THR A 13 0.711 0.757 7.152 1.00 0.00 H new ATOM 0 HA THR A 13 1.111 -1.837 8.029 1.00 0.00 H new ATOM 0 HB THR A 13 -1.177 0.120 8.407 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.021 0.505 10.389 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.722 -1.101 10.470 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.946 -2.114 9.024 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.513 -2.339 10.054 1.00 0.00 H new ATOM 185 N LEU A 14 -1.561 -1.686 6.113 1.00 0.00 N ATOM 186 CA LEU A 14 -2.577 -2.505 5.518 1.00 0.00 C ATOM 187 C LEU A 14 -1.971 -3.358 4.393 1.00 0.00 C ATOM 188 O LEU A 14 -2.530 -4.387 4.024 1.00 0.00 O ATOM 189 CB LEU A 14 -3.684 -1.538 5.111 1.00 0.00 C ATOM 190 CG LEU A 14 -4.891 -2.180 4.475 1.00 0.00 C ATOM 191 CD1 LEU A 14 -5.444 -3.279 5.357 1.00 0.00 C ATOM 192 CD2 LEU A 14 -5.964 -1.112 4.297 1.00 0.00 C ATOM 0 H LEU A 14 -1.640 -0.692 5.896 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.009 -3.249 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.008 -0.988 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.270 -0.809 4.415 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.601 -2.612 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.314 -3.727 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.681 -4.042 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.736 -2.860 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.847 -1.556 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.230 -0.698 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.583 -0.317 3.656 1.00 0.00 H new ATOM 204 N CYS A 15 -0.779 -3.003 3.895 1.00 0.00 N ATOM 205 CA CYS A 15 -0.080 -3.854 2.934 1.00 0.00 C ATOM 206 C CYS A 15 0.238 -5.210 3.546 1.00 0.00 C ATOM 207 O CYS A 15 0.295 -6.202 2.825 1.00 0.00 O ATOM 208 CB CYS A 15 1.219 -3.230 2.415 1.00 0.00 C ATOM 209 SG CYS A 15 1.033 -2.111 1.020 1.00 0.00 S ATOM 0 H CYS A 15 -0.287 -2.144 4.140 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.759 -3.969 2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.694 -2.688 3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.898 -4.033 2.127 1.00 0.00 H new ATOM 214 N GLN A 16 0.444 -5.283 4.865 1.00 0.00 N ATOM 215 CA GLN A 16 0.768 -6.549 5.504 1.00 0.00 C ATOM 216 C GLN A 16 -0.332 -7.593 5.323 1.00 0.00 C ATOM 217 O GLN A 16 -0.051 -8.786 5.432 1.00 0.00 O ATOM 218 CB GLN A 16 1.135 -6.351 6.977 1.00 0.00 C ATOM 219 CG GLN A 16 2.340 -5.411 7.102 1.00 0.00 C ATOM 220 CD GLN A 16 3.055 -5.553 8.438 1.00 0.00 C ATOM 221 OE1 GLN A 16 3.222 -6.648 8.965 1.00 0.00 O ATOM 222 NE2 GLN A 16 3.530 -4.458 9.014 1.00 0.00 N ATOM 0 H GLN A 16 0.392 -4.486 5.500 1.00 0.00 H new ATOM 0 HA GLN A 16 1.648 -6.945 4.998 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.284 -5.937 7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.366 -7.313 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.042 -5.617 6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.007 -4.380 6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.390 -3.549 8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.036 -4.525 9.897 1.00 0.00 H new ATOM 231 N ASP A 17 -1.566 -7.182 5.036 1.00 0.00 N ATOM 232 CA ASP A 17 -2.648 -8.120 4.784 1.00 0.00 C ATOM 233 C ASP A 17 -2.477 -8.766 3.410 1.00 0.00 C ATOM 234 O ASP A 17 -2.981 -9.871 3.187 1.00 0.00 O ATOM 235 CB ASP A 17 -3.995 -7.394 4.805 1.00 0.00 C ATOM 236 CG ASP A 17 -4.454 -6.978 6.187 1.00 0.00 C ATOM 237 OD1 ASP A 17 -3.680 -6.369 6.951 1.00 0.00 O ATOM 238 OD2 ASP A 17 -5.619 -7.272 6.521 1.00 0.00 O ATOM 0 H ASP A 17 -1.838 -6.201 4.973 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.622 -8.882 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.927 -6.507 4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.752 -8.042 4.363 1.00 0.00 H new ATOM 243 N CYS A 18 -1.840 -8.069 2.467 1.00 0.00 N ATOM 244 CA CYS A 18 -1.664 -8.571 1.111 1.00 0.00 C ATOM 245 C CYS A 18 -0.568 -9.631 1.085 1.00 0.00 C ATOM 246 O CYS A 18 0.310 -9.629 1.946 1.00 0.00 O ATOM 247 CB CYS A 18 -1.307 -7.439 0.130 1.00 0.00 C ATOM 248 SG CYS A 18 -1.095 -8.040 -1.568 1.00 0.00 S ATOM 0 H CYS A 18 -1.435 -7.146 2.625 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.610 -9.010 0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.092 -6.683 0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.388 -6.953 0.458 1.00 0.00 H new ATOM 253 N GLU A 19 -0.587 -10.490 0.062 1.00 0.00 N ATOM 254 CA GLU A 19 0.508 -11.361 -0.329 1.00 0.00 C ATOM 255 C GLU A 19 1.867 -10.718 -0.083 1.00 0.00 C ATOM 256 O GLU A 19 2.669 -11.209 0.715 1.00 0.00 O ATOM 257 CB GLU A 19 0.355 -11.681 -1.823 1.00 0.00 C ATOM 258 CG GLU A 19 1.511 -12.467 -2.464 1.00 0.00 C ATOM 259 CD GLU A 19 1.382 -12.407 -3.966 1.00 0.00 C ATOM 260 OE1 GLU A 19 0.356 -12.898 -4.471 1.00 0.00 O ATOM 261 OE2 GLU A 19 2.217 -11.764 -4.638 1.00 0.00 O ATOM 0 H GLU A 19 -1.405 -10.597 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 19 0.465 -12.267 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.565 -12.249 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.235 -10.743 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.468 -12.048 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.492 -13.503 -2.127 1.00 0.00 H new ATOM 268 N ASN A 20 2.130 -9.638 -0.809 1.00 0.00 N ATOM 269 CA ASN A 20 3.471 -9.163 -1.058 1.00 0.00 C ATOM 270 C ASN A 20 3.760 -7.846 -0.361 1.00 0.00 C ATOM 271 O ASN A 20 3.584 -6.779 -0.938 1.00 0.00 O ATOM 272 CB ASN A 20 3.715 -9.101 -2.570 1.00 0.00 C ATOM 273 CG ASN A 20 2.684 -8.347 -3.417 1.00 0.00 C ATOM 274 OD1 ASN A 20 2.442 -7.156 -3.279 1.00 0.00 O ATOM 275 ND2 ASN A 20 2.080 -9.034 -4.370 1.00 0.00 N ATOM 0 H ASN A 20 1.405 -9.066 -1.243 1.00 0.00 H new ATOM 0 HA ASN A 20 4.178 -9.870 -0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.689 -8.641 -2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.777 -10.123 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.414 -8.571 -4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.280 -10.027 -4.487 1.00 0.00 H new ATOM 282 N THR A 21 4.257 -7.910 0.877 1.00 0.00 N ATOM 283 CA THR A 21 4.594 -6.709 1.625 1.00 0.00 C ATOM 284 C THR A 21 5.405 -5.717 0.787 1.00 0.00 C ATOM 285 O THR A 21 4.883 -4.649 0.514 1.00 0.00 O ATOM 286 CB THR A 21 5.237 -7.027 2.983 1.00 0.00 C ATOM 287 OG1 THR A 21 5.053 -8.393 3.312 1.00 0.00 O ATOM 288 CG2 THR A 21 4.586 -6.185 4.078 1.00 0.00 C ATOM 0 H THR A 21 4.433 -8.782 1.377 1.00 0.00 H new ATOM 0 HA THR A 21 3.656 -6.205 1.857 1.00 0.00 H new ATOM 0 HB THR A 21 6.301 -6.803 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.470 -8.580 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.048 -6.417 5.038 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.725 -5.127 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.520 -6.409 4.124 1.00 0.00 H new ATOM 296 N PRO A 22 6.619 -6.026 0.309 1.00 0.00 N ATOM 297 CA PRO A 22 7.451 -5.004 -0.300 1.00 0.00 C ATOM 298 C PRO A 22 6.906 -4.482 -1.626 1.00 0.00 C ATOM 299 O PRO A 22 6.957 -3.279 -1.862 1.00 0.00 O ATOM 300 CB PRO A 22 8.833 -5.641 -0.471 1.00 0.00 C ATOM 301 CG PRO A 22 8.556 -7.146 -0.484 1.00 0.00 C ATOM 302 CD PRO A 22 7.328 -7.293 0.412 1.00 0.00 C ATOM 0 HA PRO A 22 7.483 -4.120 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.309 -5.316 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.501 -5.366 0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.362 -7.509 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.404 -7.713 -0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.700 -8.122 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.616 -7.499 1.443 1.00 0.00 H new ATOM 310 N ILE A 23 6.399 -5.344 -2.507 1.00 0.00 N ATOM 311 CA ILE A 23 5.782 -4.887 -3.745 1.00 0.00 C ATOM 312 C ILE A 23 4.670 -3.888 -3.410 1.00 0.00 C ATOM 313 O ILE A 23 4.563 -2.832 -4.043 1.00 0.00 O ATOM 314 CB ILE A 23 5.255 -6.089 -4.539 1.00 0.00 C ATOM 315 CG1 ILE A 23 6.384 -6.836 -5.257 1.00 0.00 C ATOM 316 CG2 ILE A 23 4.177 -5.727 -5.574 1.00 0.00 C ATOM 317 CD1 ILE A 23 7.290 -7.659 -4.343 1.00 0.00 C ATOM 0 H ILE A 23 6.405 -6.357 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 23 6.516 -4.381 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 23 4.797 -6.730 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.945 -7.499 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.996 -6.111 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.855 -6.629 -6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.324 -5.276 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.587 -5.019 -6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.058 -8.151 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.763 -7.003 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.696 -8.411 -3.824 1.00 0.00 H new ATOM 329 N CYS A 24 3.849 -4.236 -2.419 1.00 0.00 N ATOM 330 CA CYS A 24 2.718 -3.430 -1.995 1.00 0.00 C ATOM 331 C CYS A 24 3.193 -2.139 -1.346 1.00 0.00 C ATOM 332 O CYS A 24 2.669 -1.071 -1.651 1.00 0.00 O ATOM 333 CB CYS A 24 1.826 -4.232 -1.053 1.00 0.00 C ATOM 334 SG CYS A 24 0.346 -3.355 -0.507 1.00 0.00 S ATOM 0 H CYS A 24 3.957 -5.098 -1.885 1.00 0.00 H new ATOM 0 HA CYS A 24 2.128 -3.160 -2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.525 -5.153 -1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.408 -4.520 -0.177 1.00 0.00 H new ATOM 339 N GLU A 25 4.204 -2.218 -0.478 1.00 0.00 N ATOM 340 CA GLU A 25 4.832 -1.078 0.159 1.00 0.00 C ATOM 341 C GLU A 25 5.243 -0.105 -0.939 1.00 0.00 C ATOM 342 O GLU A 25 4.877 1.067 -0.928 1.00 0.00 O ATOM 343 CB GLU A 25 6.055 -1.574 0.946 1.00 0.00 C ATOM 344 CG GLU A 25 5.717 -2.206 2.303 1.00 0.00 C ATOM 345 CD GLU A 25 6.927 -2.923 2.868 1.00 0.00 C ATOM 346 OE1 GLU A 25 7.963 -2.248 3.050 1.00 0.00 O ATOM 347 OE2 GLU A 25 6.844 -4.135 3.140 1.00 0.00 O ATOM 0 H GLU A 25 4.614 -3.108 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 25 4.157 -0.575 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.590 -2.306 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.733 -0.736 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.386 -1.435 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.891 -2.908 2.189 1.00 0.00 H new ATOM 354 N LEU A 26 5.989 -0.619 -1.911 1.00 0.00 N ATOM 355 CA LEU A 26 6.506 0.149 -3.023 1.00 0.00 C ATOM 356 C LEU A 26 5.356 0.857 -3.737 1.00 0.00 C ATOM 357 O LEU A 26 5.442 2.051 -4.020 1.00 0.00 O ATOM 358 CB LEU A 26 7.297 -0.792 -3.943 1.00 0.00 C ATOM 359 CG LEU A 26 8.383 -0.076 -4.751 1.00 0.00 C ATOM 360 CD1 LEU A 26 9.526 -1.060 -5.019 1.00 0.00 C ATOM 361 CD2 LEU A 26 7.831 0.427 -6.084 1.00 0.00 C ATOM 0 H LEU A 26 6.253 -1.604 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 26 7.188 0.928 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.758 -1.575 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.607 -1.283 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 26 8.739 0.782 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.307 -0.563 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.938 -1.406 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.147 -1.913 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.622 0.932 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.461 -0.417 -6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.015 1.126 -5.899 1.00 0.00 H new ATOM 373 N ALA A 27 4.270 0.136 -4.020 1.00 0.00 N ATOM 374 CA ALA A 27 3.089 0.738 -4.621 1.00 0.00 C ATOM 375 C ALA A 27 2.536 1.868 -3.743 1.00 0.00 C ATOM 376 O ALA A 27 2.351 2.986 -4.213 1.00 0.00 O ATOM 377 CB ALA A 27 2.037 -0.333 -4.912 1.00 0.00 C ATOM 0 H ALA A 27 4.188 -0.865 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 27 3.372 1.189 -5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.159 0.132 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.449 -1.071 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.751 -0.825 -3.982 1.00 0.00 H new ATOM 383 N VAL A 28 2.288 1.613 -2.460 1.00 0.00 N ATOM 384 CA VAL A 28 1.782 2.622 -1.536 1.00 0.00 C ATOM 385 C VAL A 28 2.660 3.881 -1.577 1.00 0.00 C ATOM 386 O VAL A 28 2.141 4.994 -1.715 1.00 0.00 O ATOM 387 CB VAL A 28 1.641 2.018 -0.129 1.00 0.00 C ATOM 388 CG1 VAL A 28 1.462 3.078 0.965 1.00 0.00 C ATOM 389 CG2 VAL A 28 0.461 1.041 -0.066 1.00 0.00 C ATOM 0 H VAL A 28 2.433 0.698 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 28 0.786 2.941 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 28 2.577 1.492 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.368 2.588 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.328 3.740 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.563 3.660 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.384 0.628 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.461 1.567 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.620 0.232 -0.779 1.00 0.00 H new ATOM 399 N LYS A 29 3.984 3.716 -1.490 1.00 0.00 N ATOM 400 CA LYS A 29 4.923 4.808 -1.577 1.00 0.00 C ATOM 401 C LYS A 29 4.752 5.531 -2.916 1.00 0.00 C ATOM 402 O LYS A 29 4.723 6.761 -2.981 1.00 0.00 O ATOM 403 CB LYS A 29 6.351 4.268 -1.421 1.00 0.00 C ATOM 404 CG LYS A 29 6.620 3.374 -0.195 1.00 0.00 C ATOM 405 CD LYS A 29 7.296 4.113 0.955 1.00 0.00 C ATOM 406 CE LYS A 29 8.752 4.495 0.646 1.00 0.00 C ATOM 407 NZ LYS A 29 9.227 5.524 1.585 1.00 0.00 N ATOM 0 H LYS A 29 4.425 2.806 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 29 4.734 5.523 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.601 3.701 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.034 5.117 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.676 2.957 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.247 2.535 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.729 5.016 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.271 3.487 1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.388 3.612 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.828 4.865 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.963 6.099 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.432 6.135 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.622 5.066 2.431 1.00 0.00 H new ATOM 421 N GLY A 30 4.637 4.753 -3.989 1.00 0.00 N ATOM 422 CA GLY A 30 4.441 5.233 -5.344 1.00 0.00 C ATOM 423 C GLY A 30 3.175 6.079 -5.465 1.00 0.00 C ATOM 424 O GLY A 30 3.170 7.086 -6.179 1.00 0.00 O ATOM 0 H GLY A 30 4.680 3.736 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.304 5.824 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.378 4.385 -6.025 1.00 0.00 H new ATOM 428 N SER A 31 2.112 5.715 -4.751 1.00 0.00 N ATOM 429 CA SER A 31 0.800 6.319 -4.912 1.00 0.00 C ATOM 430 C SER A 31 0.676 7.611 -4.109 1.00 0.00 C ATOM 431 O SER A 31 0.242 8.617 -4.664 1.00 0.00 O ATOM 432 CB SER A 31 -0.271 5.313 -4.485 1.00 0.00 C ATOM 433 OG SER A 31 -0.173 4.156 -5.299 1.00 0.00 O ATOM 0 H SER A 31 2.142 4.985 -4.039 1.00 0.00 H new ATOM 0 HA SER A 31 0.661 6.579 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.140 5.047 -3.436 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.262 5.756 -4.580 1.00 0.00 H new ATOM 0 HG SER A 31 0.632 3.652 -5.056 1.00 0.00 H new ATOM 439 N CYS A 32 1.033 7.590 -2.824 1.00 0.00 N ATOM 440 CA CYS A 32 0.738 8.693 -1.899 1.00 0.00 C ATOM 441 C CYS A 32 2.037 9.253 -1.333 1.00 0.00 C ATOM 442 O CYS A 32 3.023 8.516 -1.284 1.00 0.00 O ATOM 443 CB CYS A 32 -0.170 8.170 -0.787 1.00 0.00 C ATOM 444 SG CYS A 32 -1.820 7.774 -1.402 1.00 0.00 S ATOM 0 H CYS A 32 1.533 6.812 -2.393 1.00 0.00 H new ATOM 0 HA CYS A 32 0.227 9.501 -2.422 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.275 7.280 -0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.246 8.918 0.003 1.00 0.00 H new ATOM 449 N PRO A 33 2.083 10.529 -0.918 1.00 0.00 N ATOM 450 CA PRO A 33 3.281 11.123 -0.348 1.00 0.00 C ATOM 451 C PRO A 33 3.458 10.625 1.092 1.00 0.00 C ATOM 452 O PRO A 33 2.481 10.194 1.705 1.00 0.00 O ATOM 453 CB PRO A 33 3.020 12.633 -0.395 1.00 0.00 C ATOM 454 CG PRO A 33 1.506 12.734 -0.205 1.00 0.00 C ATOM 455 CD PRO A 33 0.990 11.494 -0.937 1.00 0.00 C ATOM 0 HA PRO A 33 4.194 10.862 -0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.560 13.159 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.336 13.067 -1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.229 12.726 0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.105 13.653 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.105 11.091 -0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.702 11.737 -1.960 1.00 0.00 H new ATOM 463 N PRO A 34 4.667 10.710 1.667 1.00 0.00 N ATOM 464 CA PRO A 34 4.891 10.372 3.065 1.00 0.00 C ATOM 465 C PRO A 34 4.143 11.362 3.973 1.00 0.00 C ATOM 466 O PRO A 34 3.890 12.496 3.560 1.00 0.00 O ATOM 467 CB PRO A 34 6.409 10.504 3.268 1.00 0.00 C ATOM 468 CG PRO A 34 6.817 11.544 2.226 1.00 0.00 C ATOM 469 CD PRO A 34 5.881 11.233 1.059 1.00 0.00 C ATOM 0 HA PRO A 34 4.531 9.373 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.652 10.831 4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.920 9.554 3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.682 12.561 2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.865 11.444 1.943 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.673 12.128 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.326 10.505 0.381 1.00 0.00 H new ATOM 477 N PRO A 35 3.821 10.995 5.222 1.00 0.00 N ATOM 478 CA PRO A 35 3.871 9.647 5.769 1.00 0.00 C ATOM 479 C PRO A 35 2.706 8.824 5.209 1.00 0.00 C ATOM 480 O PRO A 35 1.814 9.373 4.565 1.00 0.00 O ATOM 481 CB PRO A 35 3.695 9.844 7.276 1.00 0.00 C ATOM 482 CG PRO A 35 2.776 11.062 7.359 1.00 0.00 C ATOM 483 CD PRO A 35 3.270 11.920 6.198 1.00 0.00 C ATOM 0 HA PRO A 35 4.794 9.122 5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.249 8.969 7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.648 10.023 7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.727 10.789 7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.869 11.578 8.315 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.454 12.501 5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.026 12.631 6.532 1.00 0.00 H new ATOM 491 N TRP A 36 2.686 7.522 5.492 1.00 0.00 N ATOM 492 CA TRP A 36 1.596 6.618 5.140 1.00 0.00 C ATOM 493 C TRP A 36 0.986 6.091 6.431 1.00 0.00 C ATOM 494 O TRP A 36 1.239 4.949 6.822 1.00 0.00 O ATOM 495 CB TRP A 36 2.134 5.501 4.251 1.00 0.00 C ATOM 496 CG TRP A 36 2.715 6.007 2.973 1.00 0.00 C ATOM 497 CD1 TRP A 36 2.013 6.287 1.855 1.00 0.00 C ATOM 498 CD2 TRP A 36 4.079 6.440 2.711 1.00 0.00 C ATOM 499 NE1 TRP A 36 2.861 6.813 0.905 1.00 0.00 N ATOM 500 CE2 TRP A 36 4.135 6.977 1.395 1.00 0.00 C ATOM 501 CE3 TRP A 36 5.269 6.465 3.466 1.00 0.00 C ATOM 502 CZ2 TRP A 36 5.308 7.515 0.852 1.00 0.00 C ATOM 503 CZ3 TRP A 36 6.453 7.001 2.934 1.00 0.00 C ATOM 504 CH2 TRP A 36 6.473 7.531 1.629 1.00 0.00 C ATOM 0 H TRP A 36 3.448 7.057 5.985 1.00 0.00 H new ATOM 0 HA TRP A 36 0.817 7.130 4.575 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.897 4.945 4.796 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.329 4.802 4.027 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.953 6.124 1.725 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.578 7.052 -0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.270 6.066 4.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 5.314 7.912 -0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.354 7.007 3.529 1.00 0.00 H new ATOM 0 HH2 TRP A 36 7.385 7.949 1.229 1.00 0.00 H new ATOM 515 N SER A 37 0.246 6.964 7.105 1.00 0.00 N ATOM 516 CA SER A 37 -0.300 6.735 8.420 1.00 0.00 C ATOM 517 C SER A 37 -1.479 5.763 8.321 1.00 0.00 C ATOM 518 O SER A 37 -2.619 6.235 8.507 1.00 0.00 O ATOM 519 CB SER A 37 -0.708 8.099 8.993 1.00 0.00 C ATOM 520 OG SER A 37 0.332 9.058 8.837 1.00 0.00 O ATOM 521 OXT SER A 37 -1.247 4.543 8.464 1.00 0.00 O ATOM 0 H SER A 37 0.006 7.881 6.729 1.00 0.00 H new ATOM 0 HA SER A 37 0.429 6.277 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.609 8.452 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.952 7.993 10.050 1.00 0.00 H new ATOM 0 HG SER A 37 0.043 9.917 9.209 1.00 0.00 H new TER 527 SER A 37