USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 259 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 VAL N :NH3+ 135:sc= -0.664 (180deg=-2.46!) USER MOD Single : A 5 GLN : amide:sc= -1.35 K(o=-1.3,f=-3.1) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -137:sc= -2.7 (180deg=-5.46!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0799) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -119:sc= -1.13 USER MOD Single : A 30 ASN : amide:sc= -0.655 K(o=-0.65,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.286 -7.370 6.539 1.00 1.00 N ATOM 2 CA VAL A 1 3.409 -6.735 7.887 1.00 1.00 C ATOM 3 C VAL A 1 3.691 -5.237 7.780 1.00 1.00 C ATOM 4 O VAL A 1 3.834 -4.685 6.705 1.00 1.00 O ATOM 5 CB VAL A 1 4.557 -7.400 8.696 1.00 1.00 C ATOM 6 CG1 VAL A 1 4.237 -8.893 8.925 1.00 1.00 C ATOM 7 CG2 VAL A 1 5.910 -7.274 7.949 1.00 1.00 C ATOM 0 H1 VAL A 1 3.824 -8.260 6.524 1.00 1.00 H new ATOM 0 H2 VAL A 1 2.285 -7.567 6.338 1.00 1.00 H new ATOM 0 H3 VAL A 1 3.664 -6.725 5.816 1.00 1.00 H new ATOM 0 HA VAL A 1 2.457 -6.880 8.398 1.00 1.00 H new ATOM 0 HB VAL A 1 4.639 -6.887 9.654 1.00 1.00 H new ATOM 0 HG11 VAL A 1 5.045 -9.355 9.493 1.00 1.00 H new ATOM 0 HG12 VAL A 1 3.304 -8.984 9.481 1.00 1.00 H new ATOM 0 HG13 VAL A 1 4.136 -9.395 7.963 1.00 1.00 H new ATOM 0 HG21 VAL A 1 6.696 -7.748 8.537 1.00 1.00 H new ATOM 0 HG22 VAL A 1 5.837 -7.765 6.979 1.00 1.00 H new ATOM 0 HG23 VAL A 1 6.149 -6.220 7.805 1.00 1.00 H new ATOM 19 N VAL A 2 3.750 -4.633 8.934 1.00 1.00 N ATOM 20 CA VAL A 2 4.019 -3.168 9.045 1.00 1.00 C ATOM 21 C VAL A 2 5.485 -2.911 8.667 1.00 1.00 C ATOM 22 O VAL A 2 6.365 -3.414 9.338 1.00 1.00 O ATOM 23 CB VAL A 2 3.749 -2.718 10.507 1.00 1.00 C ATOM 24 CG1 VAL A 2 3.899 -1.187 10.664 1.00 1.00 C ATOM 25 CG2 VAL A 2 2.333 -3.143 10.949 1.00 1.00 C ATOM 0 H VAL A 2 3.620 -5.105 9.829 1.00 1.00 H new ATOM 0 HA VAL A 2 3.371 -2.603 8.375 1.00 1.00 H new ATOM 0 HB VAL A 2 4.490 -3.205 11.141 1.00 1.00 H new ATOM 0 HG11 VAL A 2 3.703 -0.906 11.699 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.913 -0.891 10.393 1.00 1.00 H new ATOM 0 HG13 VAL A 2 3.187 -0.683 10.011 1.00 1.00 H new ATOM 0 HG21 VAL A 2 2.160 -2.820 11.976 1.00 1.00 H new ATOM 0 HG22 VAL A 2 1.594 -2.682 10.294 1.00 1.00 H new ATOM 0 HG23 VAL A 2 2.244 -4.228 10.890 1.00 1.00 H new ATOM 35 N ILE A 3 5.708 -2.150 7.618 1.00 1.00 N ATOM 36 CA ILE A 3 7.124 -1.869 7.208 1.00 1.00 C ATOM 37 C ILE A 3 7.444 -0.391 7.006 1.00 1.00 C ATOM 38 O ILE A 3 6.598 0.434 6.714 1.00 1.00 O ATOM 39 CB ILE A 3 7.483 -2.627 5.875 1.00 1.00 C ATOM 40 CG1 ILE A 3 6.780 -2.041 4.616 1.00 1.00 C ATOM 41 CG2 ILE A 3 7.017 -4.066 6.039 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.368 -2.666 3.331 1.00 1.00 C ATOM 0 H ILE A 3 4.987 -1.719 7.039 1.00 1.00 H new ATOM 0 HA ILE A 3 7.724 -2.225 8.045 1.00 1.00 H new ATOM 0 HB ILE A 3 8.557 -2.531 5.717 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.709 -2.236 4.666 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.906 -0.959 4.592 1.00 1.00 H new ATOM 0 HG21 ILE A 3 7.247 -4.628 5.134 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.528 -4.519 6.888 1.00 1.00 H new ATOM 0 HG23 ILE A 3 5.941 -4.082 6.212 1.00 1.00 H new ATOM 0 HD11 ILE A 3 6.866 -2.246 2.459 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.435 -2.448 3.276 1.00 1.00 H new ATOM 0 HD13 ILE A 3 7.219 -3.746 3.350 1.00 1.00 H new ATOM 54 N GLY A 4 8.720 -0.163 7.183 1.00 1.00 N ATOM 55 CA GLY A 4 9.330 1.176 7.049 1.00 1.00 C ATOM 56 C GLY A 4 8.906 1.863 5.757 1.00 1.00 C ATOM 57 O GLY A 4 8.606 3.039 5.794 1.00 1.00 O ATOM 0 H GLY A 4 9.388 -0.894 7.427 1.00 1.00 H new ATOM 0 HA2 GLY A 4 9.043 1.793 7.900 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.416 1.085 7.073 1.00 1.00 H new ATOM 61 N GLN A 5 8.907 1.093 4.683 1.00 1.00 N ATOM 62 CA GLN A 5 8.523 1.586 3.317 1.00 1.00 C ATOM 63 C GLN A 5 7.567 2.779 3.377 1.00 1.00 C ATOM 64 O GLN A 5 6.367 2.616 3.445 1.00 1.00 O ATOM 65 CB GLN A 5 7.872 0.440 2.514 1.00 1.00 C ATOM 66 CG GLN A 5 7.623 0.882 1.058 1.00 1.00 C ATOM 67 CD GLN A 5 7.058 -0.286 0.264 1.00 1.00 C ATOM 68 OE1 GLN A 5 6.009 -0.808 0.566 1.00 1.00 O ATOM 69 NE2 GLN A 5 7.724 -0.729 -0.759 1.00 1.00 N ATOM 0 H GLN A 5 9.169 0.107 4.704 1.00 1.00 H new ATOM 0 HA GLN A 5 9.435 1.921 2.823 1.00 1.00 H new ATOM 0 HB2 GLN A 5 8.519 -0.437 2.529 1.00 1.00 H new ATOM 0 HB3 GLN A 5 6.930 0.150 2.979 1.00 1.00 H new ATOM 0 HG2 GLN A 5 6.928 1.721 1.035 1.00 1.00 H new ATOM 0 HG3 GLN A 5 8.554 1.226 0.607 1.00 1.00 H new ATOM 0 HE21 GLN A 5 8.609 -0.293 -1.019 1.00 1.00 H new ATOM 0 HE22 GLN A 5 7.362 -1.513 -1.303 1.00 1.00 H new ATOM 78 N ARG A 6 8.167 3.941 3.364 1.00 1.00 N ATOM 79 CA ARG A 6 7.402 5.220 3.422 1.00 1.00 C ATOM 80 C ARG A 6 6.116 5.206 2.585 1.00 1.00 C ATOM 81 O ARG A 6 6.041 4.540 1.570 1.00 1.00 O ATOM 82 CB ARG A 6 8.325 6.365 2.942 1.00 1.00 C ATOM 83 CG ARG A 6 8.795 6.121 1.487 1.00 1.00 C ATOM 84 CD ARG A 6 9.753 7.245 1.048 1.00 1.00 C ATOM 85 NE ARG A 6 10.953 7.221 1.940 1.00 1.00 N ATOM 86 CZ ARG A 6 12.134 6.990 1.437 1.00 1.00 C ATOM 87 NH1 ARG A 6 12.507 5.753 1.257 1.00 1.00 N ATOM 88 NH2 ARG A 6 12.902 7.999 1.132 1.00 1.00 N ATOM 0 H ARG A 6 9.179 4.058 3.314 1.00 1.00 H new ATOM 0 HA ARG A 6 7.088 5.366 4.456 1.00 1.00 H new ATOM 0 HB2 ARG A 6 7.794 7.315 3.003 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.190 6.440 3.600 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.296 5.156 1.415 1.00 1.00 H new ATOM 0 HG3 ARG A 6 7.934 6.084 0.819 1.00 1.00 H new ATOM 0 HD2 ARG A 6 10.051 7.105 0.009 1.00 1.00 H new ATOM 0 HD3 ARG A 6 9.255 8.213 1.109 1.00 1.00 H new ATOM 0 HE ARG A 6 10.848 7.385 2.941 1.00 1.00 H new ATOM 0 HH11 ARG A 6 11.879 4.989 1.508 1.00 1.00 H new ATOM 0 HH12 ARG A 6 13.426 5.549 0.865 1.00 1.00 H new ATOM 0 HH21 ARG A 6 12.576 8.953 1.288 1.00 1.00 H new ATOM 0 HH22 ARG A 6 13.828 7.834 0.738 1.00 1.00 H new ATOM 102 N CYS A 7 5.151 5.951 3.054 1.00 1.00 N ATOM 103 CA CYS A 7 3.848 6.036 2.348 1.00 1.00 C ATOM 104 C CYS A 7 3.655 7.389 1.653 1.00 1.00 C ATOM 105 O CYS A 7 4.263 8.379 2.012 1.00 1.00 O ATOM 106 CB CYS A 7 2.707 5.837 3.350 1.00 1.00 C ATOM 107 SG CYS A 7 1.071 6.337 2.760 1.00 1.00 S ATOM 0 H CYS A 7 5.215 6.509 3.906 1.00 1.00 H new ATOM 0 HA CYS A 7 3.840 5.255 1.588 1.00 1.00 H new ATOM 0 HB2 CYS A 7 2.669 4.784 3.629 1.00 1.00 H new ATOM 0 HB3 CYS A 7 2.937 6.399 4.255 1.00 1.00 H new ATOM 112 N TYR A 8 2.794 7.352 0.668 1.00 1.00 N ATOM 113 CA TYR A 8 2.440 8.546 -0.142 1.00 1.00 C ATOM 114 C TYR A 8 0.940 8.689 0.094 1.00 1.00 C ATOM 115 O TYR A 8 0.467 9.645 0.677 1.00 1.00 O ATOM 116 CB TYR A 8 2.755 8.232 -1.608 1.00 1.00 C ATOM 117 CG TYR A 8 2.549 9.450 -2.535 1.00 1.00 C ATOM 118 CD1 TYR A 8 3.010 10.710 -2.196 1.00 1.00 C ATOM 119 CD2 TYR A 8 1.891 9.290 -3.740 1.00 1.00 C ATOM 120 CE1 TYR A 8 2.812 11.783 -3.043 1.00 1.00 C ATOM 121 CE2 TYR A 8 1.694 10.362 -4.586 1.00 1.00 C ATOM 122 CZ TYR A 8 2.152 11.615 -4.244 1.00 1.00 C ATOM 123 OH TYR A 8 1.951 12.684 -5.093 1.00 1.00 O ATOM 0 H TYR A 8 2.304 6.503 0.385 1.00 1.00 H new ATOM 0 HA TYR A 8 2.978 9.459 0.114 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.787 7.889 -1.689 1.00 1.00 H new ATOM 0 HB3 TYR A 8 2.120 7.413 -1.945 1.00 1.00 H new ATOM 0 HD1 TYR A 8 3.529 10.856 -1.260 1.00 1.00 H new ATOM 0 HD2 TYR A 8 1.526 8.314 -4.023 1.00 1.00 H new ATOM 0 HE1 TYR A 8 3.176 12.761 -2.764 1.00 1.00 H new ATOM 0 HE2 TYR A 8 1.177 10.217 -5.523 1.00 1.00 H new ATOM 0 HH TYR A 8 1.471 12.382 -5.892 1.00 1.00 H new ATOM 133 N ARG A 9 0.267 7.683 -0.385 1.00 1.00 N ATOM 134 CA ARG A 9 -1.211 7.569 -0.277 1.00 1.00 C ATOM 135 C ARG A 9 -1.496 6.232 0.419 1.00 1.00 C ATOM 136 O ARG A 9 -0.591 5.433 0.574 1.00 1.00 O ATOM 137 CB ARG A 9 -1.830 7.558 -1.680 1.00 1.00 C ATOM 138 CG ARG A 9 -1.251 8.690 -2.557 1.00 1.00 C ATOM 139 CD ARG A 9 -1.582 10.086 -1.994 1.00 1.00 C ATOM 140 NE ARG A 9 -0.742 11.077 -2.730 1.00 1.00 N ATOM 141 CZ ARG A 9 -1.295 12.012 -3.453 1.00 1.00 C ATOM 142 NH1 ARG A 9 -1.899 13.002 -2.854 1.00 1.00 N ATOM 143 NH2 ARG A 9 -1.222 11.925 -4.752 1.00 1.00 N ATOM 0 H ARG A 9 0.704 6.899 -0.870 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.633 8.405 0.280 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.643 6.595 -2.155 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -2.911 7.671 -1.604 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -0.169 8.575 -2.629 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -1.648 8.604 -3.568 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -2.641 10.310 -2.123 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -1.375 10.127 -0.925 1.00 1.00 H new ATOM 0 HE ARG A 9 0.275 11.023 -2.667 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -1.934 13.037 -1.835 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -2.336 13.741 -3.405 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -0.740 11.137 -5.184 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -1.647 12.645 -5.336 1.00 1.00 H new ATOM 157 N SER A 10 -2.729 6.042 0.814 1.00 1.00 N ATOM 158 CA SER A 10 -3.153 4.781 1.516 1.00 1.00 C ATOM 159 C SER A 10 -2.338 3.528 1.137 1.00 1.00 C ATOM 160 O SER A 10 -1.756 2.918 2.013 1.00 1.00 O ATOM 161 CB SER A 10 -4.644 4.497 1.228 1.00 1.00 C ATOM 162 OG SER A 10 -5.329 5.554 1.884 1.00 1.00 O ATOM 0 H SER A 10 -3.479 6.720 0.679 1.00 1.00 H new ATOM 0 HA SER A 10 -2.971 4.967 2.574 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.850 4.492 0.158 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.947 3.524 1.615 1.00 1.00 H new ATOM 0 HG SER A 10 -6.294 5.451 1.749 1.00 1.00 H new ATOM 168 N PRO A 11 -2.311 3.168 -0.124 1.00 1.00 N ATOM 169 CA PRO A 11 -1.481 2.031 -0.585 1.00 1.00 C ATOM 170 C PRO A 11 0.022 2.293 -0.467 1.00 1.00 C ATOM 171 O PRO A 11 0.585 2.059 0.580 1.00 1.00 O ATOM 172 CB PRO A 11 -1.964 1.801 -2.032 1.00 1.00 C ATOM 173 CG PRO A 11 -2.308 3.242 -2.487 1.00 1.00 C ATOM 174 CD PRO A 11 -3.052 3.781 -1.271 1.00 1.00 C ATOM 0 HA PRO A 11 -1.603 1.142 0.034 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.191 1.350 -2.654 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.831 1.142 -2.073 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.415 3.825 -2.712 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -2.928 3.251 -3.383 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.026 4.870 -1.232 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -4.102 3.487 -1.277 1.00 1.00 H new ATOM 182 N ASP A 12 0.609 2.776 -1.533 1.00 1.00 N ATOM 183 CA ASP A 12 2.076 3.093 -1.634 1.00 1.00 C ATOM 184 C ASP A 12 2.899 2.026 -0.874 1.00 1.00 C ATOM 185 O ASP A 12 3.936 2.273 -0.286 1.00 1.00 O ATOM 186 CB ASP A 12 2.293 4.509 -1.041 1.00 1.00 C ATOM 187 CG ASP A 12 3.655 5.068 -1.508 1.00 1.00 C ATOM 188 OD1 ASP A 12 3.761 5.304 -2.700 1.00 1.00 O ATOM 189 OD2 ASP A 12 4.515 5.228 -0.660 1.00 1.00 O ATOM 0 H ASP A 12 0.099 2.977 -2.393 1.00 1.00 H new ATOM 0 HA ASP A 12 2.410 3.079 -2.671 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.489 5.173 -1.358 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.261 4.466 0.048 1.00 1.00 H new ATOM 194 N CYS A 13 2.331 0.855 -0.958 1.00 1.00 N ATOM 195 CA CYS A 13 2.861 -0.385 -0.336 1.00 1.00 C ATOM 196 C CYS A 13 2.188 -1.647 -0.928 1.00 1.00 C ATOM 197 O CYS A 13 2.793 -2.698 -0.916 1.00 1.00 O ATOM 198 CB CYS A 13 2.616 -0.352 1.165 1.00 1.00 C ATOM 199 SG CYS A 13 3.432 -1.671 2.104 1.00 1.00 S ATOM 0 H CYS A 13 1.461 0.704 -1.469 1.00 1.00 H new ATOM 0 HA CYS A 13 3.930 -0.431 -0.544 1.00 1.00 H new ATOM 0 HB2 CYS A 13 2.952 0.610 1.552 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.542 -0.410 1.344 1.00 1.00 H new ATOM 204 N TYR A 14 0.972 -1.519 -1.416 1.00 1.00 N ATOM 205 CA TYR A 14 0.193 -2.654 -2.024 1.00 1.00 C ATOM 206 C TYR A 14 1.081 -3.568 -2.850 1.00 1.00 C ATOM 207 O TYR A 14 1.151 -4.748 -2.581 1.00 1.00 O ATOM 208 CB TYR A 14 -0.910 -2.019 -2.890 1.00 1.00 C ATOM 209 CG TYR A 14 -2.184 -1.682 -2.075 1.00 1.00 C ATOM 210 CD1 TYR A 14 -2.124 -1.167 -0.795 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.427 -1.894 -2.643 1.00 1.00 C ATOM 212 CE1 TYR A 14 -3.283 -0.874 -0.108 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.581 -1.601 -1.953 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.517 -1.087 -0.677 1.00 1.00 C ATOM 215 OH TYR A 14 -5.671 -0.792 0.013 1.00 1.00 O ATOM 0 H TYR A 14 0.466 -0.633 -1.417 1.00 1.00 H new ATOM 0 HA TYR A 14 -0.236 -3.282 -1.243 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.526 -1.109 -3.351 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -1.170 -2.701 -3.699 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.165 -0.993 -0.330 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.493 -2.296 -3.643 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -3.221 -0.471 0.892 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.542 -1.775 -2.415 1.00 1.00 H new ATOM 0 HH TYR A 14 -6.449 -1.005 -0.544 1.00 1.00 H new ATOM 225 N SER A 15 1.718 -2.993 -3.831 1.00 1.00 N ATOM 226 CA SER A 15 2.636 -3.780 -4.719 1.00 1.00 C ATOM 227 C SER A 15 3.597 -4.650 -3.879 1.00 1.00 C ATOM 228 O SER A 15 3.797 -5.818 -4.157 1.00 1.00 O ATOM 229 CB SER A 15 3.440 -2.806 -5.584 1.00 1.00 C ATOM 230 OG SER A 15 2.449 -2.110 -6.326 1.00 1.00 O ATOM 0 H SER A 15 1.645 -2.002 -4.062 1.00 1.00 H new ATOM 0 HA SER A 15 2.043 -4.442 -5.351 1.00 1.00 H new ATOM 0 HB2 SER A 15 4.033 -2.125 -4.973 1.00 1.00 H new ATOM 0 HB3 SER A 15 4.133 -3.333 -6.240 1.00 1.00 H new ATOM 0 HG SER A 15 2.880 -1.455 -6.914 1.00 1.00 H new ATOM 236 N ALA A 16 4.153 -4.028 -2.866 1.00 1.00 N ATOM 237 CA ALA A 16 5.111 -4.725 -1.951 1.00 1.00 C ATOM 238 C ALA A 16 4.437 -5.837 -1.141 1.00 1.00 C ATOM 239 O ALA A 16 4.978 -6.910 -0.966 1.00 1.00 O ATOM 240 CB ALA A 16 5.735 -3.695 -0.993 1.00 1.00 C ATOM 0 H ALA A 16 3.980 -3.051 -2.632 1.00 1.00 H new ATOM 0 HA ALA A 16 5.880 -5.191 -2.567 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.434 -4.197 -0.324 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.265 -2.937 -1.569 1.00 1.00 H new ATOM 0 HB3 ALA A 16 4.948 -3.221 -0.406 1.00 1.00 H new ATOM 246 N CYS A 17 3.257 -5.539 -0.676 1.00 1.00 N ATOM 247 CA CYS A 17 2.453 -6.475 0.121 1.00 1.00 C ATOM 248 C CYS A 17 2.040 -7.641 -0.755 1.00 1.00 C ATOM 249 O CYS A 17 1.887 -8.751 -0.292 1.00 1.00 O ATOM 250 CB CYS A 17 1.269 -5.683 0.618 1.00 1.00 C ATOM 251 SG CYS A 17 1.420 -4.573 2.041 1.00 1.00 S ATOM 0 H CYS A 17 2.806 -4.637 -0.830 1.00 1.00 H new ATOM 0 HA CYS A 17 2.998 -6.895 0.966 1.00 1.00 H new ATOM 0 HB2 CYS A 17 0.913 -5.082 -0.219 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.482 -6.399 0.854 1.00 1.00 H new ATOM 256 N LYS A 18 1.853 -7.357 -2.013 1.00 1.00 N ATOM 257 CA LYS A 18 1.462 -8.412 -2.960 1.00 1.00 C ATOM 258 C LYS A 18 2.667 -9.328 -3.160 1.00 1.00 C ATOM 259 O LYS A 18 2.565 -10.529 -3.015 1.00 1.00 O ATOM 260 CB LYS A 18 1.051 -7.754 -4.281 1.00 1.00 C ATOM 261 CG LYS A 18 0.384 -8.796 -5.203 1.00 1.00 C ATOM 262 CD LYS A 18 -0.128 -8.158 -6.523 1.00 1.00 C ATOM 263 CE LYS A 18 1.015 -7.613 -7.405 1.00 1.00 C ATOM 264 NZ LYS A 18 1.586 -6.358 -6.838 1.00 1.00 N ATOM 0 H LYS A 18 1.958 -6.428 -2.420 1.00 1.00 H new ATOM 0 HA LYS A 18 0.621 -8.997 -2.587 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.362 -6.932 -4.089 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.926 -7.328 -4.772 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.099 -9.586 -5.435 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.449 -9.264 -4.679 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.692 -8.901 -7.086 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.817 -7.347 -6.286 1.00 1.00 H new ATOM 0 HE2 LYS A 18 1.799 -8.365 -7.493 1.00 1.00 H new ATOM 0 HE3 LYS A 18 0.642 -7.423 -8.411 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 1.740 -5.670 -7.603 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 0.924 -5.959 -6.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 2.492 -6.568 -6.373 1.00 1.00 H new ATOM 278 N LYS A 19 3.779 -8.724 -3.493 1.00 1.00 N ATOM 279 CA LYS A 19 5.013 -9.546 -3.709 1.00 1.00 C ATOM 280 C LYS A 19 5.596 -10.135 -2.404 1.00 1.00 C ATOM 281 O LYS A 19 6.386 -11.055 -2.470 1.00 1.00 O ATOM 282 CB LYS A 19 6.090 -8.682 -4.427 1.00 1.00 C ATOM 283 CG LYS A 19 6.739 -7.671 -3.488 1.00 1.00 C ATOM 284 CD LYS A 19 7.774 -6.843 -4.271 1.00 1.00 C ATOM 285 CE LYS A 19 8.573 -5.993 -3.278 1.00 1.00 C ATOM 286 NZ LYS A 19 9.573 -5.167 -4.002 1.00 1.00 N ATOM 0 H LYS A 19 3.889 -7.718 -3.623 1.00 1.00 H new ATOM 0 HA LYS A 19 4.724 -10.395 -4.328 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.858 -9.334 -4.843 1.00 1.00 H new ATOM 0 HB3 LYS A 19 5.632 -8.155 -5.264 1.00 1.00 H new ATOM 0 HG2 LYS A 19 5.980 -7.016 -3.060 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.221 -8.186 -2.657 1.00 1.00 H new ATOM 0 HD2 LYS A 19 8.441 -7.501 -4.828 1.00 1.00 H new ATOM 0 HD3 LYS A 19 7.274 -6.204 -4.999 1.00 1.00 H new ATOM 0 HE2 LYS A 19 7.899 -5.349 -2.713 1.00 1.00 H new ATOM 0 HE3 LYS A 19 9.076 -6.638 -2.557 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 10.110 -4.594 -3.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 10.226 -5.788 -4.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 9.085 -4.539 -4.672 1.00 1.00 H new ATOM 300 N LEU A 20 5.203 -9.605 -1.265 1.00 1.00 N ATOM 301 CA LEU A 20 5.729 -10.122 0.041 1.00 1.00 C ATOM 302 C LEU A 20 4.741 -11.038 0.771 1.00 1.00 C ATOM 303 O LEU A 20 5.126 -12.055 1.314 1.00 1.00 O ATOM 304 CB LEU A 20 6.055 -8.937 0.964 1.00 1.00 C ATOM 305 CG LEU A 20 7.289 -8.127 0.460 1.00 1.00 C ATOM 306 CD1 LEU A 20 7.423 -6.850 1.310 1.00 1.00 C ATOM 307 CD2 LEU A 20 8.580 -8.959 0.608 1.00 1.00 C ATOM 0 H LEU A 20 4.539 -8.835 -1.186 1.00 1.00 H new ATOM 0 HA LEU A 20 6.617 -10.709 -0.193 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.189 -8.278 1.027 1.00 1.00 H new ATOM 0 HB3 LEU A 20 6.249 -9.305 1.971 1.00 1.00 H new ATOM 0 HG LEU A 20 7.145 -7.879 -0.592 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.283 -6.274 0.968 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.520 -6.249 1.208 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.562 -7.122 2.356 1.00 1.00 H new ATOM 0 HD21 LEU A 20 9.430 -8.378 0.251 1.00 1.00 H new ATOM 0 HD22 LEU A 20 8.730 -9.215 1.657 1.00 1.00 H new ATOM 0 HD23 LEU A 20 8.493 -9.873 0.020 1.00 1.00 H new ATOM 319 N VAL A 21 3.500 -10.639 0.754 1.00 1.00 N ATOM 320 CA VAL A 21 2.407 -11.416 1.427 1.00 1.00 C ATOM 321 C VAL A 21 1.610 -12.222 0.391 1.00 1.00 C ATOM 322 O VAL A 21 1.162 -13.312 0.692 1.00 1.00 O ATOM 323 CB VAL A 21 1.457 -10.431 2.179 1.00 1.00 C ATOM 324 CG1 VAL A 21 0.468 -11.221 3.067 1.00 1.00 C ATOM 325 CG2 VAL A 21 2.272 -9.462 3.067 1.00 1.00 C ATOM 0 H VAL A 21 3.185 -9.786 0.292 1.00 1.00 H new ATOM 0 HA VAL A 21 2.851 -12.110 2.141 1.00 1.00 H new ATOM 0 HB VAL A 21 0.904 -9.857 1.436 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -0.190 -10.525 3.587 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -0.128 -11.887 2.444 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.024 -11.809 3.797 1.00 1.00 H new ATOM 0 HG21 VAL A 21 1.593 -8.783 3.583 1.00 1.00 H new ATOM 0 HG22 VAL A 21 2.842 -10.033 3.800 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.957 -8.886 2.444 1.00 1.00 H new ATOM 335 N GLY A 22 1.453 -11.673 -0.782 1.00 1.00 N ATOM 336 CA GLY A 22 0.695 -12.370 -1.863 1.00 1.00 C ATOM 337 C GLY A 22 -0.384 -11.494 -2.498 1.00 1.00 C ATOM 338 O GLY A 22 -0.699 -11.670 -3.660 1.00 1.00 O ATOM 0 H GLY A 22 1.822 -10.758 -1.042 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.392 -12.695 -2.636 1.00 1.00 H new ATOM 0 HA3 GLY A 22 0.232 -13.267 -1.453 1.00 1.00 H new ATOM 342 N LYS A 23 -0.921 -10.585 -1.725 1.00 1.00 N ATOM 343 CA LYS A 23 -1.997 -9.675 -2.225 1.00 1.00 C ATOM 344 C LYS A 23 -1.698 -8.191 -1.961 1.00 1.00 C ATOM 345 O LYS A 23 -0.945 -7.848 -1.070 1.00 1.00 O ATOM 346 CB LYS A 23 -3.334 -10.081 -1.550 1.00 1.00 C ATOM 347 CG LYS A 23 -3.393 -9.811 -0.011 1.00 1.00 C ATOM 348 CD LYS A 23 -2.375 -10.623 0.832 1.00 1.00 C ATOM 349 CE LYS A 23 -2.476 -12.141 0.558 1.00 1.00 C ATOM 350 NZ LYS A 23 -3.850 -12.634 0.862 1.00 1.00 N ATOM 0 H LYS A 23 -0.655 -10.432 -0.752 1.00 1.00 H new ATOM 0 HA LYS A 23 -2.057 -9.785 -3.308 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -4.148 -9.540 -2.032 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -3.508 -11.143 -1.727 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -3.223 -8.749 0.164 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.399 -10.035 0.345 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -1.365 -10.281 0.608 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -2.549 -10.434 1.891 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -2.232 -12.346 -0.484 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -1.748 -12.676 1.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -3.867 -13.672 0.804 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -4.122 -12.336 1.821 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -4.521 -12.238 0.173 1.00 1.00 H new ATOM 364 N ALA A 24 -2.322 -7.371 -2.768 1.00 1.00 N ATOM 365 CA ALA A 24 -2.178 -5.883 -2.689 1.00 1.00 C ATOM 366 C ALA A 24 -2.860 -5.278 -1.445 1.00 1.00 C ATOM 367 O ALA A 24 -3.902 -4.655 -1.533 1.00 1.00 O ATOM 368 CB ALA A 24 -2.766 -5.303 -3.989 1.00 1.00 C ATOM 0 H ALA A 24 -2.950 -7.685 -3.508 1.00 1.00 H new ATOM 0 HA ALA A 24 -1.124 -5.625 -2.586 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.681 -4.216 -3.974 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -2.217 -5.698 -4.844 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.816 -5.584 -4.070 1.00 1.00 H new ATOM 374 N THR A 25 -2.237 -5.491 -0.316 1.00 1.00 N ATOM 375 CA THR A 25 -2.727 -4.994 0.987 1.00 1.00 C ATOM 376 C THR A 25 -1.754 -3.955 1.554 1.00 1.00 C ATOM 377 O THR A 25 -0.842 -3.526 0.878 1.00 1.00 O ATOM 378 CB THR A 25 -2.848 -6.209 1.921 1.00 1.00 C ATOM 379 OG1 THR A 25 -1.864 -7.159 1.531 1.00 1.00 O ATOM 380 CG2 THR A 25 -4.214 -6.895 1.801 1.00 1.00 C ATOM 0 H THR A 25 -1.365 -6.017 -0.251 1.00 1.00 H new ATOM 0 HA THR A 25 -3.695 -4.505 0.882 1.00 1.00 H new ATOM 0 HB THR A 25 -2.719 -5.862 2.946 1.00 1.00 H new ATOM 0 HG1 THR A 25 -1.919 -7.945 2.114 1.00 1.00 H new ATOM 0 HG21 THR A 25 -4.254 -7.748 2.479 1.00 1.00 H new ATOM 0 HG22 THR A 25 -5.001 -6.187 2.062 1.00 1.00 H new ATOM 0 HG23 THR A 25 -4.360 -7.239 0.777 1.00 1.00 H new ATOM 388 N GLY A 26 -1.986 -3.573 2.781 1.00 1.00 N ATOM 389 CA GLY A 26 -1.115 -2.569 3.460 1.00 1.00 C ATOM 390 C GLY A 26 -1.874 -1.280 3.715 1.00 1.00 C ATOM 391 O GLY A 26 -2.848 -0.983 3.051 1.00 1.00 O ATOM 0 H GLY A 26 -2.756 -3.921 3.352 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -0.752 -2.975 4.404 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -0.240 -2.365 2.844 1.00 1.00 H new ATOM 395 N LYS A 27 -1.404 -0.556 4.694 1.00 1.00 N ATOM 396 CA LYS A 27 -2.042 0.728 5.056 1.00 1.00 C ATOM 397 C LYS A 27 -0.944 1.788 5.201 1.00 1.00 C ATOM 398 O LYS A 27 0.223 1.481 5.214 1.00 1.00 O ATOM 399 CB LYS A 27 -2.813 0.549 6.383 1.00 1.00 C ATOM 400 CG LYS A 27 -3.924 -0.514 6.198 1.00 1.00 C ATOM 401 CD LYS A 27 -4.734 -0.706 7.503 1.00 1.00 C ATOM 402 CE LYS A 27 -3.831 -1.252 8.627 1.00 1.00 C ATOM 403 NZ LYS A 27 -4.632 -1.502 9.856 1.00 1.00 N ATOM 0 H LYS A 27 -0.595 -0.808 5.262 1.00 1.00 H new ATOM 0 HA LYS A 27 -2.746 1.046 4.287 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -2.129 0.241 7.174 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -3.251 1.498 6.692 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -4.593 -0.209 5.393 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -3.478 -1.463 5.900 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -5.171 0.245 7.809 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -5.560 -1.394 7.326 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -3.352 -2.176 8.302 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -3.035 -0.539 8.842 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -4.012 -1.870 10.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -5.069 -0.613 10.173 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -5.376 -2.199 9.650 1.00 1.00 H new ATOM 417 N CYS A 28 -1.396 3.008 5.314 1.00 1.00 N ATOM 418 CA CYS A 28 -0.487 4.183 5.464 1.00 1.00 C ATOM 419 C CYS A 28 -0.597 4.573 6.921 1.00 1.00 C ATOM 420 O CYS A 28 -1.527 5.213 7.371 1.00 1.00 O ATOM 421 CB CYS A 28 -0.975 5.271 4.573 1.00 1.00 C ATOM 422 SG CYS A 28 0.000 6.777 4.411 1.00 1.00 S ATOM 0 H CYS A 28 -2.388 3.246 5.308 1.00 1.00 H new ATOM 0 HA CYS A 28 0.548 3.976 5.193 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -1.095 4.849 3.575 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.968 5.558 4.919 1.00 1.00 H new ATOM 427 N THR A 29 0.410 4.129 7.589 1.00 1.00 N ATOM 428 CA THR A 29 0.546 4.366 9.061 1.00 1.00 C ATOM 429 C THR A 29 1.832 5.103 9.405 1.00 1.00 C ATOM 430 O THR A 29 2.925 4.626 9.173 1.00 1.00 O ATOM 431 CB THR A 29 0.511 3.023 9.715 1.00 1.00 C ATOM 432 OG1 THR A 29 -0.692 2.441 9.245 1.00 1.00 O ATOM 433 CG2 THR A 29 0.385 3.068 11.230 1.00 1.00 C ATOM 0 H THR A 29 1.175 3.594 7.177 1.00 1.00 H new ATOM 0 HA THR A 29 -0.265 5.002 9.416 1.00 1.00 H new ATOM 0 HB THR A 29 1.437 2.496 9.484 1.00 1.00 H new ATOM 0 HG1 THR A 29 -1.283 2.252 10.004 1.00 1.00 H new ATOM 0 HG21 THR A 29 0.367 2.052 11.624 1.00 1.00 H new ATOM 0 HG22 THR A 29 1.236 3.605 11.650 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.538 3.580 11.503 1.00 1.00 H new ATOM 441 N ASN A 30 1.612 6.251 9.975 1.00 1.00 N ATOM 442 CA ASN A 30 2.690 7.191 10.409 1.00 1.00 C ATOM 443 C ASN A 30 3.720 7.371 9.277 1.00 1.00 C ATOM 444 O ASN A 30 4.917 7.395 9.486 1.00 1.00 O ATOM 445 CB ASN A 30 3.360 6.611 11.674 1.00 1.00 C ATOM 446 CG ASN A 30 2.311 6.422 12.779 1.00 1.00 C ATOM 447 OD1 ASN A 30 1.660 7.357 13.205 1.00 1.00 O ATOM 448 ND2 ASN A 30 2.118 5.230 13.269 1.00 1.00 N ATOM 0 H ASN A 30 0.673 6.598 10.170 1.00 1.00 H new ATOM 0 HA ASN A 30 2.270 8.171 10.636 1.00 1.00 H new ATOM 0 HB2 ASN A 30 3.832 5.657 11.441 1.00 1.00 H new ATOM 0 HB3 ASN A 30 4.148 7.281 12.019 1.00 1.00 H new ATOM 0 HD21 ASN A 30 1.425 5.087 14.004 1.00 1.00 H new ATOM 0 HD22 ASN A 30 2.660 4.440 12.918 1.00 1.00 H new ATOM 455 N GLY A 31 3.170 7.498 8.092 1.00 1.00 N ATOM 456 CA GLY A 31 3.962 7.679 6.852 1.00 1.00 C ATOM 457 C GLY A 31 4.834 6.463 6.512 1.00 1.00 C ATOM 458 O GLY A 31 5.818 6.592 5.813 1.00 1.00 O ATOM 0 H GLY A 31 2.162 7.482 7.938 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.285 7.877 6.021 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.599 8.557 6.960 1.00 1.00 H new ATOM 462 N ARG A 32 4.438 5.331 7.024 1.00 1.00 N ATOM 463 CA ARG A 32 5.156 4.033 6.806 1.00 1.00 C ATOM 464 C ARG A 32 4.111 2.968 6.523 1.00 1.00 C ATOM 465 O ARG A 32 2.953 3.138 6.840 1.00 1.00 O ATOM 466 CB ARG A 32 5.904 3.614 8.053 1.00 1.00 C ATOM 467 CG ARG A 32 6.824 4.753 8.497 1.00 1.00 C ATOM 468 CD ARG A 32 7.373 4.453 9.883 1.00 1.00 C ATOM 469 NE ARG A 32 8.288 3.284 9.794 1.00 1.00 N ATOM 470 CZ ARG A 32 9.553 3.422 10.082 1.00 1.00 C ATOM 471 NH1 ARG A 32 9.934 3.327 11.326 1.00 1.00 N ATOM 472 NH2 ARG A 32 10.394 3.647 9.110 1.00 1.00 N ATOM 0 H ARG A 32 3.609 5.246 7.612 1.00 1.00 H new ATOM 0 HA ARG A 32 5.862 4.151 5.984 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.200 3.369 8.848 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.488 2.715 7.856 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.643 4.870 7.788 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.275 5.695 8.508 1.00 1.00 H new ATOM 0 HD2 ARG A 32 7.906 5.320 10.274 1.00 1.00 H new ATOM 0 HD3 ARG A 32 6.557 4.242 10.574 1.00 1.00 H new ATOM 0 HE ARG A 32 7.927 2.374 9.508 1.00 1.00 H new ATOM 0 HH11 ARG A 32 9.246 3.147 12.058 1.00 1.00 H new ATOM 0 HH12 ARG A 32 10.919 3.433 11.567 1.00 1.00 H new ATOM 0 HH21 ARG A 32 10.058 3.712 8.149 1.00 1.00 H new ATOM 0 HH22 ARG A 32 11.388 3.758 9.311 1.00 1.00 H new ATOM 486 N CYS A 33 4.537 1.886 5.930 1.00 1.00 N ATOM 487 CA CYS A 33 3.553 0.807 5.629 1.00 1.00 C ATOM 488 C CYS A 33 3.081 0.032 6.858 1.00 1.00 C ATOM 489 O CYS A 33 3.848 -0.224 7.765 1.00 1.00 O ATOM 490 CB CYS A 33 4.110 -0.259 4.716 1.00 1.00 C ATOM 491 SG CYS A 33 2.904 -1.419 4.036 1.00 1.00 S ATOM 0 H CYS A 33 5.500 1.704 5.647 1.00 1.00 H new ATOM 0 HA CYS A 33 2.735 1.364 5.172 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.623 0.230 3.888 1.00 1.00 H new ATOM 0 HB3 CYS A 33 4.861 -0.826 5.266 1.00 1.00 H new ATOM 496 N ASP A 34 1.823 -0.288 6.819 1.00 1.00 N ATOM 497 CA ASP A 34 1.164 -1.070 7.901 1.00 1.00 C ATOM 498 C ASP A 34 0.393 -2.186 7.183 1.00 1.00 C ATOM 499 O ASP A 34 -0.754 -2.013 6.844 1.00 1.00 O ATOM 500 CB ASP A 34 0.247 -0.133 8.690 1.00 1.00 C ATOM 501 CG ASP A 34 -0.633 -0.828 9.762 1.00 1.00 C ATOM 502 OD1 ASP A 34 -0.709 -2.042 9.796 1.00 1.00 O ATOM 503 OD2 ASP A 34 -1.212 -0.061 10.513 1.00 1.00 O ATOM 0 H ASP A 34 1.200 -0.031 6.054 1.00 1.00 H new ATOM 0 HA ASP A 34 1.860 -1.504 8.619 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.860 0.624 9.179 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.405 0.389 7.989 1.00 1.00 H new ATOM 508 N CYS A 35 1.061 -3.298 6.967 1.00 1.00 N ATOM 509 CA CYS A 35 0.410 -4.456 6.268 1.00 1.00 C ATOM 510 C CYS A 35 0.287 -5.646 7.251 1.00 1.00 C ATOM 511 O CYS A 35 0.453 -6.775 6.819 1.00 1.00 O ATOM 512 CB CYS A 35 1.298 -4.795 5.027 1.00 1.00 C ATOM 513 SG CYS A 35 0.530 -5.547 3.573 1.00 1.00 S ATOM 514 OXT CYS A 35 0.023 -5.347 8.406 1.00 1.00 O ATOM 0 H CYS A 35 2.030 -3.453 7.245 1.00 1.00 H new ATOM 0 HA CYS A 35 -0.600 -4.222 5.932 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.777 -3.871 4.704 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.090 -5.464 5.363 1.00 1.00 H new TER 519 CYS A 35