USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 265 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 ASN : amide:sc= -2.14 K(o=-2.1,f=-4.2!) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -52:sc= 0.331 USER MOD Single : A 9 ASN : amide:sc= -0.0185 K(o=-0.019,f=-1.5!) USER MOD Single : A 14 GLN : amide:sc= -0.802 K(o=-0.8,f=-2.6!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= -0.0989 (180deg=-0.79) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -147:sc= -0.35 (180deg=-1.96!) USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= -0.057 (180deg=-0.563) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 14.421 -8.626 -4.101 1.00 0.00 N ATOM 2 CA ASN A 1 13.935 -7.610 -5.078 1.00 0.00 C ATOM 3 C ASN A 1 13.198 -8.300 -6.228 1.00 0.00 C ATOM 4 O ASN A 1 13.788 -9.012 -7.017 1.00 0.00 O ATOM 5 CB ASN A 1 15.199 -6.915 -5.586 1.00 0.00 C ATOM 6 CG ASN A 1 14.816 -5.653 -6.362 1.00 0.00 C ATOM 7 OD1 ASN A 1 13.910 -4.939 -5.976 1.00 0.00 O ATOM 8 ND2 ASN A 1 15.472 -5.343 -7.446 1.00 0.00 N ATOM 0 H1 ASN A 1 14.920 -8.149 -3.323 1.00 0.00 H new ATOM 0 H2 ASN A 1 13.611 -9.156 -3.719 1.00 0.00 H new ATOM 0 H3 ASN A 1 15.071 -9.283 -4.578 1.00 0.00 H new ATOM 0 HA ASN A 1 13.236 -6.903 -4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 1 15.845 -6.656 -4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 1 15.765 -7.591 -6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 1 15.225 -4.503 -7.969 1.00 0.00 H new ATOM 0 HD22 ASN A 1 16.232 -5.941 -7.771 1.00 0.00 H new ATOM 17 N GLU A 2 11.912 -8.101 -6.329 1.00 0.00 N ATOM 18 CA GLU A 2 11.143 -8.751 -7.427 1.00 0.00 C ATOM 19 C GLU A 2 11.647 -8.289 -8.802 1.00 0.00 C ATOM 20 O GLU A 2 11.786 -9.094 -9.702 1.00 0.00 O ATOM 21 CB GLU A 2 9.690 -8.318 -7.214 1.00 0.00 C ATOM 22 CG GLU A 2 9.120 -9.032 -5.986 1.00 0.00 C ATOM 23 CD GLU A 2 7.696 -8.538 -5.723 1.00 0.00 C ATOM 24 OE1 GLU A 2 7.380 -7.443 -6.159 1.00 0.00 O ATOM 25 OE2 GLU A 2 6.946 -9.263 -5.091 1.00 0.00 O ATOM 0 H GLU A 2 11.362 -7.517 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 2 11.254 -9.835 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.637 -7.238 -7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.095 -8.557 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.118 -10.110 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.749 -8.841 -5.117 1.00 0.00 H new ATOM 32 N PRO A 3 11.899 -7.010 -8.933 1.00 0.00 N ATOM 33 CA PRO A 3 12.381 -6.470 -10.226 1.00 0.00 C ATOM 34 C PRO A 3 13.860 -6.807 -10.434 1.00 0.00 C ATOM 35 O PRO A 3 14.422 -6.535 -11.476 1.00 0.00 O ATOM 36 CB PRO A 3 12.181 -4.966 -10.087 1.00 0.00 C ATOM 37 CG PRO A 3 12.207 -4.697 -8.616 1.00 0.00 C ATOM 38 CD PRO A 3 11.763 -5.957 -7.913 1.00 0.00 C ATOM 0 HA PRO A 3 11.853 -6.887 -11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.969 -4.416 -10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.234 -4.653 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.210 -4.413 -8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.546 -3.867 -8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.383 -6.165 -7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.735 -5.875 -7.561 1.00 0.00 H new ATOM 46 N VAL A 4 14.489 -7.396 -9.450 1.00 0.00 N ATOM 47 CA VAL A 4 15.934 -7.755 -9.577 1.00 0.00 C ATOM 48 C VAL A 4 16.698 -6.663 -10.327 1.00 0.00 C ATOM 49 O VAL A 4 16.250 -5.540 -10.441 1.00 0.00 O ATOM 50 CB VAL A 4 15.961 -9.071 -10.360 1.00 0.00 C ATOM 51 CG1 VAL A 4 15.047 -10.087 -9.673 1.00 0.00 C ATOM 52 CG2 VAL A 4 15.481 -8.837 -11.793 1.00 0.00 C ATOM 0 H VAL A 4 14.061 -7.645 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 4 16.412 -7.856 -8.603 1.00 0.00 H new ATOM 0 HB VAL A 4 16.981 -9.453 -10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.064 -11.025 -10.228 1.00 0.00 H new ATOM 0 HG12 VAL A 4 15.396 -10.261 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.028 -9.700 -9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.503 -9.778 -12.342 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.462 -8.450 -11.777 1.00 0.00 H new ATOM 0 HG23 VAL A 4 16.135 -8.115 -12.283 1.00 0.00 H new ATOM 62 N SER A 5 17.853 -6.990 -10.831 1.00 0.00 N ATOM 63 CA SER A 5 18.665 -5.982 -11.573 1.00 0.00 C ATOM 64 C SER A 5 19.024 -4.809 -10.658 1.00 0.00 C ATOM 65 O SER A 5 18.868 -3.659 -11.015 1.00 0.00 O ATOM 66 CB SER A 5 17.772 -5.516 -12.724 1.00 0.00 C ATOM 67 OG SER A 5 18.517 -4.668 -13.586 1.00 0.00 O ATOM 0 H SER A 5 18.274 -7.917 -10.762 1.00 0.00 H new ATOM 0 HA SER A 5 19.606 -6.398 -11.934 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.396 -6.376 -13.278 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.904 -4.984 -12.333 1.00 0.00 H new ATOM 0 HG SER A 5 18.936 -3.954 -13.061 1.00 0.00 H new ATOM 73 N CYS A 6 19.505 -5.095 -9.478 1.00 0.00 N ATOM 74 CA CYS A 6 19.877 -4.001 -8.534 1.00 0.00 C ATOM 75 C CYS A 6 21.204 -3.364 -8.955 1.00 0.00 C ATOM 76 O CYS A 6 22.227 -4.017 -9.013 1.00 0.00 O ATOM 77 CB CYS A 6 20.021 -4.682 -7.172 1.00 0.00 C ATOM 78 SG CYS A 6 20.328 -3.429 -5.902 1.00 0.00 S ATOM 0 H CYS A 6 19.657 -6.040 -9.126 1.00 0.00 H new ATOM 0 HA CYS A 6 19.133 -3.204 -8.516 1.00 0.00 H new ATOM 0 HB2 CYS A 6 19.116 -5.241 -6.935 1.00 0.00 H new ATOM 0 HB3 CYS A 6 20.841 -5.399 -7.197 1.00 0.00 H new ATOM 83 N ILE A 7 21.197 -2.090 -9.240 1.00 0.00 N ATOM 84 CA ILE A 7 22.462 -1.411 -9.648 1.00 0.00 C ATOM 85 C ILE A 7 22.239 0.097 -9.813 1.00 0.00 C ATOM 86 O ILE A 7 23.143 0.887 -9.628 1.00 0.00 O ATOM 87 CB ILE A 7 22.859 -2.055 -10.979 1.00 0.00 C ATOM 88 CG1 ILE A 7 24.256 -1.577 -11.378 1.00 0.00 C ATOM 89 CG2 ILE A 7 21.860 -1.659 -12.069 1.00 0.00 C ATOM 90 CD1 ILE A 7 24.599 -2.116 -12.768 1.00 0.00 C ATOM 0 H ILE A 7 20.372 -1.490 -9.208 1.00 0.00 H new ATOM 0 HA ILE A 7 23.244 -1.526 -8.898 1.00 0.00 H new ATOM 0 HB ILE A 7 22.857 -3.139 -10.866 1.00 0.00 H new ATOM 0 HG12 ILE A 7 24.293 -0.488 -11.379 1.00 0.00 H new ATOM 0 HG13 ILE A 7 24.992 -1.921 -10.651 1.00 0.00 H new ATOM 0 HG21 ILE A 7 22.149 -2.121 -13.013 1.00 0.00 H new ATOM 0 HG22 ILE A 7 20.863 -1.999 -11.789 1.00 0.00 H new ATOM 0 HG23 ILE A 7 21.856 -0.575 -12.182 1.00 0.00 H new ATOM 0 HD11 ILE A 7 25.594 -1.776 -13.054 1.00 0.00 H new ATOM 0 HD12 ILE A 7 24.578 -3.206 -12.751 1.00 0.00 H new ATOM 0 HD13 ILE A 7 23.869 -1.750 -13.490 1.00 0.00 H new ATOM 102 N ARG A 8 21.044 0.509 -10.147 1.00 0.00 N ATOM 103 CA ARG A 8 20.781 1.968 -10.305 1.00 0.00 C ATOM 104 C ARG A 8 21.130 2.693 -9.005 1.00 0.00 C ATOM 105 O ARG A 8 21.528 3.841 -9.004 1.00 0.00 O ATOM 106 CB ARG A 8 19.283 2.072 -10.588 1.00 0.00 C ATOM 107 CG ARG A 8 18.981 1.504 -11.977 1.00 0.00 C ATOM 108 CD ARG A 8 17.499 1.707 -12.304 1.00 0.00 C ATOM 109 NE ARG A 8 16.854 0.402 -11.982 1.00 0.00 N ATOM 110 CZ ARG A 8 15.763 0.043 -12.601 1.00 0.00 C ATOM 111 NH1 ARG A 8 15.657 0.217 -13.890 1.00 0.00 N ATOM 112 NH2 ARG A 8 14.779 -0.492 -11.932 1.00 0.00 N ATOM 0 H ARG A 8 20.243 -0.099 -10.316 1.00 0.00 H new ATOM 0 HA ARG A 8 21.375 2.418 -11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 8 18.721 1.525 -9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.964 3.113 -10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 8 19.600 1.999 -12.726 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.229 0.443 -12.009 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.071 2.516 -11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.358 1.970 -13.352 1.00 0.00 H new ATOM 0 HE ARG A 8 17.266 -0.210 -11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.427 0.634 -14.413 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.804 -0.064 -14.374 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.862 -0.630 -10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.926 -0.773 -12.416 1.00 0.00 H new ATOM 126 N ASN A 9 20.978 2.022 -7.899 1.00 0.00 N ATOM 127 CA ASN A 9 21.294 2.650 -6.585 1.00 0.00 C ATOM 128 C ASN A 9 22.794 2.938 -6.479 1.00 0.00 C ATOM 129 O ASN A 9 23.214 3.862 -5.809 1.00 0.00 O ATOM 130 CB ASN A 9 20.876 1.608 -5.548 1.00 0.00 C ATOM 131 CG ASN A 9 19.350 1.560 -5.458 1.00 0.00 C ATOM 132 OD1 ASN A 9 18.683 2.544 -5.711 1.00 0.00 O ATOM 133 ND2 ASN A 9 18.763 0.447 -5.108 1.00 0.00 N ATOM 0 H ASN A 9 20.646 1.059 -7.847 1.00 0.00 H new ATOM 0 HA ASN A 9 20.780 3.601 -6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 9 21.265 0.628 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 9 21.300 1.857 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.746 0.404 -5.047 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.322 -0.379 -4.895 1.00 0.00 H new ATOM 140 N GLY A 10 23.604 2.154 -7.133 1.00 0.00 N ATOM 141 CA GLY A 10 25.075 2.379 -7.069 1.00 0.00 C ATOM 142 C GLY A 10 25.721 1.286 -6.215 1.00 0.00 C ATOM 143 O GLY A 10 26.885 1.359 -5.872 1.00 0.00 O ATOM 0 H GLY A 10 23.311 1.366 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.499 2.369 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.286 3.360 -6.643 1.00 0.00 H new ATOM 147 N GLY A 11 24.973 0.274 -5.866 1.00 0.00 N ATOM 148 CA GLY A 11 25.543 -0.822 -5.033 1.00 0.00 C ATOM 149 C GLY A 11 26.265 -1.826 -5.933 1.00 0.00 C ATOM 150 O GLY A 11 26.183 -1.761 -7.143 1.00 0.00 O ATOM 0 H GLY A 11 23.992 0.160 -6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 11 26.236 -0.412 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 11 24.749 -1.321 -4.478 1.00 0.00 H new ATOM 154 N ILE A 12 26.974 -2.753 -5.351 1.00 0.00 N ATOM 155 CA ILE A 12 27.702 -3.762 -6.172 1.00 0.00 C ATOM 156 C ILE A 12 27.074 -5.144 -5.988 1.00 0.00 C ATOM 157 O ILE A 12 26.353 -5.386 -5.040 1.00 0.00 O ATOM 158 CB ILE A 12 29.133 -3.746 -5.635 1.00 0.00 C ATOM 159 CG1 ILE A 12 29.123 -4.126 -4.152 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.722 -2.343 -5.798 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.546 -4.459 -3.701 1.00 0.00 C ATOM 0 H ILE A 12 27.081 -2.856 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 12 27.663 -3.536 -7.238 1.00 0.00 H new ATOM 0 HB ILE A 12 29.739 -4.461 -6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 12 28.725 -3.304 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.469 -4.983 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.743 -2.330 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.727 -2.071 -6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.117 -1.627 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 12 30.539 -4.730 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 12 30.927 -5.295 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 12 31.187 -3.590 -3.849 1.00 0.00 H new ATOM 173 N CYS A 13 27.339 -6.054 -6.884 1.00 0.00 N ATOM 174 CA CYS A 13 26.748 -7.417 -6.747 1.00 0.00 C ATOM 175 C CYS A 13 27.814 -8.401 -6.259 1.00 0.00 C ATOM 176 O CYS A 13 28.995 -8.211 -6.471 1.00 0.00 O ATOM 177 CB CYS A 13 26.251 -7.823 -8.144 1.00 0.00 C ATOM 178 SG CYS A 13 25.661 -6.375 -9.064 1.00 0.00 S ATOM 0 H CYS A 13 27.935 -5.916 -7.700 1.00 0.00 H new ATOM 0 HA CYS A 13 25.932 -7.424 -6.024 1.00 0.00 H new ATOM 0 HB2 CYS A 13 27.058 -8.306 -8.696 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.447 -8.553 -8.051 1.00 0.00 H new ATOM 183 N GLN A 14 27.401 -9.454 -5.612 1.00 0.00 N ATOM 184 CA GLN A 14 28.380 -10.461 -5.107 1.00 0.00 C ATOM 185 C GLN A 14 27.690 -11.819 -4.963 1.00 0.00 C ATOM 186 O GLN A 14 26.495 -11.896 -4.774 1.00 0.00 O ATOM 187 CB GLN A 14 28.826 -9.935 -3.743 1.00 0.00 C ATOM 188 CG GLN A 14 29.885 -10.868 -3.154 1.00 0.00 C ATOM 189 CD GLN A 14 30.278 -10.373 -1.761 1.00 0.00 C ATOM 190 OE1 GLN A 14 29.537 -9.645 -1.130 1.00 0.00 O ATOM 191 NE2 GLN A 14 31.421 -10.741 -1.249 1.00 0.00 N ATOM 0 H GLN A 14 26.423 -9.663 -5.409 1.00 0.00 H new ATOM 0 HA GLN A 14 29.226 -10.597 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 14 29.230 -8.928 -3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 14 27.971 -9.869 -3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 14 29.497 -11.885 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 14 30.761 -10.898 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 14 32.044 -11.352 -1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 14 31.692 -10.418 -0.320 1.00 0.00 H new ATOM 200 N TYR A 15 28.426 -12.890 -5.055 1.00 0.00 N ATOM 201 CA TYR A 15 27.792 -14.236 -4.928 1.00 0.00 C ATOM 202 C TYR A 15 27.099 -14.372 -3.571 1.00 0.00 C ATOM 203 O TYR A 15 26.026 -14.935 -3.465 1.00 0.00 O ATOM 204 CB TYR A 15 28.942 -15.236 -5.053 1.00 0.00 C ATOM 205 CG TYR A 15 28.386 -16.640 -5.082 1.00 0.00 C ATOM 206 CD1 TYR A 15 27.630 -17.074 -6.181 1.00 0.00 C ATOM 207 CD2 TYR A 15 28.625 -17.509 -4.012 1.00 0.00 C ATOM 208 CE1 TYR A 15 27.116 -18.377 -6.206 1.00 0.00 C ATOM 209 CE2 TYR A 15 28.111 -18.811 -4.038 1.00 0.00 C ATOM 210 CZ TYR A 15 27.357 -19.245 -5.134 1.00 0.00 C ATOM 211 OH TYR A 15 26.851 -20.529 -5.159 1.00 0.00 O ATOM 0 H TYR A 15 29.434 -12.895 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 15 27.029 -14.403 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 15 29.512 -15.040 -5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 15 29.630 -15.123 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 15 27.444 -16.404 -7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 15 29.206 -17.175 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 15 26.534 -18.712 -7.052 1.00 0.00 H new ATOM 0 HE2 TYR A 15 28.297 -19.481 -3.211 1.00 0.00 H new ATOM 0 HH TYR A 15 27.111 -20.999 -4.339 1.00 0.00 H new ATOM 221 N ARG A 16 27.700 -13.863 -2.535 1.00 0.00 N ATOM 222 CA ARG A 16 27.075 -13.963 -1.183 1.00 0.00 C ATOM 223 C ARG A 16 27.369 -12.700 -0.365 1.00 0.00 C ATOM 224 O ARG A 16 28.414 -12.092 -0.496 1.00 0.00 O ATOM 225 CB ARG A 16 27.724 -15.188 -0.537 1.00 0.00 C ATOM 226 CG ARG A 16 27.241 -16.452 -1.249 1.00 0.00 C ATOM 227 CD ARG A 16 25.776 -16.709 -0.892 1.00 0.00 C ATOM 228 NE ARG A 16 25.788 -17.021 0.566 1.00 0.00 N ATOM 229 CZ ARG A 16 24.747 -17.577 1.124 1.00 0.00 C ATOM 230 NH1 ARG A 16 23.548 -17.312 0.682 1.00 0.00 N ATOM 231 NH2 ARG A 16 24.905 -18.397 2.127 1.00 0.00 N ATOM 0 H ARG A 16 28.598 -13.381 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 16 25.990 -14.057 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 16 28.810 -15.114 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 16 27.468 -15.233 0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 16 27.349 -16.339 -2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 16 27.853 -17.305 -0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 16 25.158 -15.837 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.367 -17.538 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 16 26.610 -16.800 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.423 -16.670 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 16 22.736 -17.747 1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 16 25.842 -18.603 2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.092 -18.832 2.563 1.00 0.00 H new ATOM 245 N CYS A 17 26.453 -12.300 0.476 1.00 0.00 N ATOM 246 CA CYS A 17 26.673 -11.076 1.300 1.00 0.00 C ATOM 247 C CYS A 17 26.893 -11.452 2.768 1.00 0.00 C ATOM 248 O CYS A 17 26.471 -12.498 3.221 1.00 0.00 O ATOM 249 CB CYS A 17 25.389 -10.262 1.145 1.00 0.00 C ATOM 250 SG CYS A 17 25.782 -8.498 1.211 1.00 0.00 S ATOM 0 H CYS A 17 25.560 -12.769 0.628 1.00 0.00 H new ATOM 0 HA CYS A 17 27.554 -10.519 0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.905 -10.503 0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 17 24.685 -10.519 1.937 1.00 0.00 H new ATOM 255 N ILE A 18 27.549 -10.605 3.516 1.00 0.00 N ATOM 256 CA ILE A 18 27.794 -10.912 4.955 1.00 0.00 C ATOM 257 C ILE A 18 26.968 -9.977 5.843 1.00 0.00 C ATOM 258 O ILE A 18 26.489 -8.951 5.403 1.00 0.00 O ATOM 259 CB ILE A 18 29.289 -10.669 5.169 1.00 0.00 C ATOM 260 CG1 ILE A 18 29.606 -9.192 4.925 1.00 0.00 C ATOM 261 CG2 ILE A 18 30.092 -11.532 4.193 1.00 0.00 C ATOM 262 CD1 ILE A 18 31.098 -8.944 5.159 1.00 0.00 C ATOM 0 H ILE A 18 27.926 -9.714 3.193 1.00 0.00 H new ATOM 0 HA ILE A 18 27.508 -11.932 5.211 1.00 0.00 H new ATOM 0 HB ILE A 18 29.557 -10.934 6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 18 29.336 -8.915 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 18 29.014 -8.567 5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 18 31.157 -11.359 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 18 29.867 -12.584 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 18 29.825 -11.269 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 18 31.324 -7.892 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 18 31.354 -9.205 6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 18 31.681 -9.558 4.473 1.00 0.00 H new ATOM 274 N GLY A 19 26.796 -10.322 7.089 1.00 0.00 N ATOM 275 CA GLY A 19 25.999 -9.453 8.002 1.00 0.00 C ATOM 276 C GLY A 19 26.545 -8.024 7.958 1.00 0.00 C ATOM 277 O GLY A 19 25.802 -7.064 8.022 1.00 0.00 O ATOM 0 H GLY A 19 27.173 -11.169 7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 19 24.950 -9.462 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.045 -9.839 9.020 1.00 0.00 H new ATOM 281 N LEU A 20 27.836 -7.873 7.848 1.00 0.00 N ATOM 282 CA LEU A 20 28.422 -6.502 7.800 1.00 0.00 C ATOM 283 C LEU A 20 27.798 -5.701 6.654 1.00 0.00 C ATOM 284 O LEU A 20 27.590 -4.508 6.758 1.00 0.00 O ATOM 285 CB LEU A 20 29.917 -6.718 7.554 1.00 0.00 C ATOM 286 CG LEU A 20 30.610 -7.045 8.878 1.00 0.00 C ATOM 287 CD1 LEU A 20 30.334 -5.929 9.888 1.00 0.00 C ATOM 288 CD2 LEU A 20 30.073 -8.370 9.422 1.00 0.00 C ATOM 0 H LEU A 20 28.510 -8.637 7.789 1.00 0.00 H new ATOM 0 HA LEU A 20 28.238 -5.941 8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.066 -7.531 6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 30.357 -5.824 7.112 1.00 0.00 H new ATOM 0 HG LEU A 20 31.684 -7.129 8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.828 -6.162 10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 20 30.718 -4.985 9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.260 -5.844 10.052 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.567 -8.603 10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 20 28.999 -8.287 9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 20 30.270 -9.165 8.703 1.00 0.00 H new ATOM 300 N ARG A 21 27.494 -6.348 5.562 1.00 0.00 N ATOM 301 CA ARG A 21 26.882 -5.627 4.410 1.00 0.00 C ATOM 302 C ARG A 21 25.369 -5.869 4.380 1.00 0.00 C ATOM 303 O ARG A 21 24.909 -6.992 4.439 1.00 0.00 O ATOM 304 CB ARG A 21 27.547 -6.226 3.170 1.00 0.00 C ATOM 305 CG ARG A 21 29.044 -5.911 3.190 1.00 0.00 C ATOM 306 CD ARG A 21 29.674 -6.353 1.868 1.00 0.00 C ATOM 307 NE ARG A 21 31.114 -5.991 1.990 1.00 0.00 N ATOM 308 CZ ARG A 21 32.001 -6.596 1.251 1.00 0.00 C ATOM 309 NH1 ARG A 21 32.141 -7.891 1.329 1.00 0.00 N ATOM 310 NH2 ARG A 21 32.749 -5.907 0.433 1.00 0.00 N ATOM 0 H ARG A 21 27.643 -7.347 5.418 1.00 0.00 H new ATOM 0 HA ARG A 21 27.030 -4.549 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.392 -7.305 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.091 -5.819 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 21 29.200 -4.843 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 21 29.524 -6.424 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 21 29.548 -7.424 1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 21 29.210 -5.848 1.021 1.00 0.00 H new ATOM 0 HE ARG A 21 31.405 -5.271 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.556 -8.430 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.835 -8.365 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.640 -4.895 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.443 -6.381 -0.145 1.00 0.00 H new ATOM 324 N HIS A 22 24.595 -4.822 4.290 1.00 0.00 N ATOM 325 CA HIS A 22 23.113 -4.990 4.262 1.00 0.00 C ATOM 326 C HIS A 22 22.628 -5.193 2.822 1.00 0.00 C ATOM 327 O HIS A 22 22.896 -4.393 1.948 1.00 0.00 O ATOM 328 CB HIS A 22 22.560 -3.685 4.835 1.00 0.00 C ATOM 329 CG HIS A 22 21.080 -3.822 5.061 1.00 0.00 C ATOM 330 ND1 HIS A 22 20.554 -4.688 6.007 1.00 0.00 N ATOM 331 CD2 HIS A 22 20.001 -3.210 4.472 1.00 0.00 C ATOM 332 CE1 HIS A 22 19.214 -4.574 5.961 1.00 0.00 C ATOM 333 NE2 HIS A 22 18.824 -3.687 5.043 1.00 0.00 N ATOM 0 H HIS A 22 24.924 -3.858 4.235 1.00 0.00 H new ATOM 0 HA HIS A 22 22.784 -5.860 4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 22 23.061 -3.447 5.773 1.00 0.00 H new ATOM 0 HB3 HIS A 22 22.759 -2.861 4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 22 20.057 -2.471 3.686 1.00 0.00 H new ATOM 0 HE1 HIS A 22 18.537 -5.132 6.590 1.00 0.00 H new ATOM 0 HE2 HIS A 22 17.869 -3.417 4.810 1.00 0.00 H new ATOM 341 N LYS A 23 21.916 -6.259 2.571 1.00 0.00 N ATOM 342 CA LYS A 23 21.413 -6.513 1.190 1.00 0.00 C ATOM 343 C LYS A 23 19.965 -6.033 1.060 1.00 0.00 C ATOM 344 O LYS A 23 19.075 -6.528 1.723 1.00 0.00 O ATOM 345 CB LYS A 23 21.496 -8.030 1.009 1.00 0.00 C ATOM 346 CG LYS A 23 21.021 -8.403 -0.398 1.00 0.00 C ATOM 347 CD LYS A 23 21.134 -9.917 -0.595 1.00 0.00 C ATOM 348 CE LYS A 23 20.072 -10.621 0.252 1.00 0.00 C ATOM 349 NZ LYS A 23 18.783 -10.336 -0.440 1.00 0.00 N ATOM 0 H LYS A 23 21.661 -6.964 3.262 1.00 0.00 H new ATOM 0 HA LYS A 23 21.992 -5.982 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 23 22.521 -8.369 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 23 20.881 -8.530 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 23 19.989 -8.084 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 23 21.621 -7.883 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 23 21.001 -10.169 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 23 22.129 -10.259 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 23 20.260 -11.693 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.065 -10.241 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.185 -11.187 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.292 -9.559 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.971 -10.063 -1.426 1.00 0.00 H new ATOM 363 N ILE A 24 19.721 -5.072 0.212 1.00 0.00 N ATOM 364 CA ILE A 24 18.328 -4.564 0.045 1.00 0.00 C ATOM 365 C ILE A 24 17.665 -5.220 -1.169 1.00 0.00 C ATOM 366 O ILE A 24 16.528 -4.942 -1.491 1.00 0.00 O ATOM 367 CB ILE A 24 18.479 -3.059 -0.175 1.00 0.00 C ATOM 368 CG1 ILE A 24 19.227 -2.805 -1.488 1.00 0.00 C ATOM 369 CG2 ILE A 24 19.267 -2.450 0.988 1.00 0.00 C ATOM 370 CD1 ILE A 24 19.080 -1.334 -1.884 1.00 0.00 C ATOM 0 H ILE A 24 20.423 -4.617 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 24 17.701 -4.790 0.908 1.00 0.00 H new ATOM 0 HB ILE A 24 17.492 -2.599 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.281 -3.058 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 24 18.829 -3.446 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 24 19.375 -1.377 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.734 -2.629 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.254 -2.910 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.612 -1.154 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 24 18.024 -1.097 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.499 -0.703 -1.100 1.00 0.00 H new ATOM 382 N GLY A 25 18.367 -6.087 -1.846 1.00 0.00 N ATOM 383 CA GLY A 25 17.771 -6.755 -3.038 1.00 0.00 C ATOM 384 C GLY A 25 18.790 -7.720 -3.648 1.00 0.00 C ATOM 385 O GLY A 25 19.842 -7.962 -3.091 1.00 0.00 O ATOM 0 H GLY A 25 19.325 -6.361 -1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.869 -7.296 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.475 -6.009 -3.775 1.00 0.00 H new ATOM 389 N THR A 26 18.484 -8.274 -4.789 1.00 0.00 N ATOM 390 CA THR A 26 19.433 -9.225 -5.435 1.00 0.00 C ATOM 391 C THR A 26 19.859 -8.697 -6.809 1.00 0.00 C ATOM 392 O THR A 26 19.073 -8.640 -7.732 1.00 0.00 O ATOM 393 CB THR A 26 18.643 -10.528 -5.583 1.00 0.00 C ATOM 394 OG1 THR A 26 18.183 -10.950 -4.308 1.00 0.00 O ATOM 395 CG2 THR A 26 19.541 -11.608 -6.187 1.00 0.00 C ATOM 0 H THR A 26 17.618 -8.109 -5.302 1.00 0.00 H new ATOM 0 HA THR A 26 20.344 -9.362 -4.852 1.00 0.00 H new ATOM 0 HB THR A 26 17.789 -10.361 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.676 -11.783 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 26 18.976 -12.534 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 26 19.891 -11.284 -7.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 20.397 -11.777 -5.534 1.00 0.00 H new ATOM 403 N CYS A 27 21.100 -8.314 -6.951 1.00 0.00 N ATOM 404 CA CYS A 27 21.574 -7.795 -8.266 1.00 0.00 C ATOM 405 C CYS A 27 21.264 -8.810 -9.365 1.00 0.00 C ATOM 406 O CYS A 27 20.645 -8.500 -10.363 1.00 0.00 O ATOM 407 CB CYS A 27 23.084 -7.624 -8.103 1.00 0.00 C ATOM 408 SG CYS A 27 23.770 -6.855 -9.590 1.00 0.00 S ATOM 0 H CYS A 27 21.805 -8.338 -6.214 1.00 0.00 H new ATOM 0 HA CYS A 27 21.089 -6.860 -8.546 1.00 0.00 H new ATOM 0 HB2 CYS A 27 23.298 -7.007 -7.230 1.00 0.00 H new ATOM 0 HB3 CYS A 27 23.554 -8.593 -7.932 1.00 0.00 H new ATOM 413 N GLY A 28 21.688 -10.024 -9.176 1.00 0.00 N ATOM 414 CA GLY A 28 21.421 -11.081 -10.189 1.00 0.00 C ATOM 415 C GLY A 28 21.124 -12.392 -9.461 1.00 0.00 C ATOM 416 O GLY A 28 20.878 -12.403 -8.272 1.00 0.00 O ATOM 0 H GLY A 28 22.212 -10.334 -8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.577 -10.798 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.282 -11.200 -10.847 1.00 0.00 H new ATOM 420 N SER A 29 21.150 -13.497 -10.152 1.00 0.00 N ATOM 421 CA SER A 29 20.874 -14.790 -9.472 1.00 0.00 C ATOM 422 C SER A 29 22.166 -15.360 -8.885 1.00 0.00 C ATOM 423 O SER A 29 22.168 -15.852 -7.775 1.00 0.00 O ATOM 424 CB SER A 29 20.300 -15.710 -10.551 1.00 0.00 C ATOM 425 OG SER A 29 18.961 -15.327 -10.832 1.00 0.00 O ATOM 0 H SER A 29 21.349 -13.560 -11.150 1.00 0.00 H new ATOM 0 HA SER A 29 20.176 -14.679 -8.642 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.905 -15.650 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.331 -16.747 -10.215 1.00 0.00 H new ATOM 0 HG SER A 29 18.591 -15.914 -11.524 1.00 0.00 H new ATOM 431 N PRO A 30 23.235 -15.264 -9.635 1.00 0.00 N ATOM 432 CA PRO A 30 24.529 -15.764 -9.143 1.00 0.00 C ATOM 433 C PRO A 30 25.173 -14.717 -8.230 1.00 0.00 C ATOM 434 O PRO A 30 26.304 -14.855 -7.813 1.00 0.00 O ATOM 435 CB PRO A 30 25.349 -15.959 -10.412 1.00 0.00 C ATOM 436 CG PRO A 30 24.757 -15.019 -11.418 1.00 0.00 C ATOM 437 CD PRO A 30 23.344 -14.699 -10.986 1.00 0.00 C ATOM 0 HA PRO A 30 24.447 -16.680 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.402 -15.736 -10.238 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.295 -16.991 -10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.351 -14.107 -11.483 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.759 -15.472 -12.409 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.164 -13.624 -10.982 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.612 -15.142 -11.662 1.00 0.00 H new ATOM 445 N PHE A 31 24.456 -13.670 -7.915 1.00 0.00 N ATOM 446 CA PHE A 31 25.031 -12.618 -7.025 1.00 0.00 C ATOM 447 C PHE A 31 23.919 -11.910 -6.246 1.00 0.00 C ATOM 448 O PHE A 31 22.746 -12.095 -6.504 1.00 0.00 O ATOM 449 CB PHE A 31 25.729 -11.621 -7.958 1.00 0.00 C ATOM 450 CG PHE A 31 26.782 -12.325 -8.781 1.00 0.00 C ATOM 451 CD1 PHE A 31 28.016 -12.657 -8.209 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.527 -12.636 -10.120 1.00 0.00 C ATOM 453 CE1 PHE A 31 28.993 -13.302 -8.976 1.00 0.00 C ATOM 454 CE2 PHE A 31 27.504 -13.281 -10.889 1.00 0.00 C ATOM 455 CZ PHE A 31 28.736 -13.614 -10.316 1.00 0.00 C ATOM 0 H PHE A 31 23.502 -13.498 -8.233 1.00 0.00 H new ATOM 0 HA PHE A 31 25.719 -13.046 -6.296 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.996 -11.153 -8.615 1.00 0.00 H new ATOM 0 HB3 PHE A 31 26.187 -10.824 -7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 31 28.214 -12.415 -7.175 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.576 -12.379 -10.562 1.00 0.00 H new ATOM 0 HE1 PHE A 31 29.944 -13.559 -8.534 1.00 0.00 H new ATOM 0 HE2 PHE A 31 27.306 -13.521 -11.923 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.489 -14.112 -10.908 1.00 0.00 H new ATOM 465 N LYS A 32 24.286 -11.092 -5.300 1.00 0.00 N ATOM 466 CA LYS A 32 23.268 -10.352 -4.504 1.00 0.00 C ATOM 467 C LYS A 32 23.613 -8.862 -4.504 1.00 0.00 C ATOM 468 O LYS A 32 24.743 -8.482 -4.727 1.00 0.00 O ATOM 469 CB LYS A 32 23.366 -10.926 -3.091 1.00 0.00 C ATOM 470 CG LYS A 32 23.060 -12.425 -3.122 1.00 0.00 C ATOM 471 CD LYS A 32 23.094 -12.981 -1.697 1.00 0.00 C ATOM 472 CE LYS A 32 22.578 -14.423 -1.696 1.00 0.00 C ATOM 473 NZ LYS A 32 21.212 -14.350 -2.292 1.00 0.00 N ATOM 0 H LYS A 32 25.255 -10.903 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 32 22.261 -10.457 -4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.364 -10.757 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.665 -10.415 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 32 22.081 -12.598 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.790 -12.943 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.111 -12.948 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.481 -12.364 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.228 -15.074 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.545 -14.829 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.604 -15.071 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.809 -13.407 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.271 -14.521 -3.316 1.00 0.00 H new ATOM 487 N CYS A 33 22.656 -8.013 -4.260 1.00 0.00 N ATOM 488 CA CYS A 33 22.952 -6.550 -4.255 1.00 0.00 C ATOM 489 C CYS A 33 23.314 -6.087 -2.844 1.00 0.00 C ATOM 490 O CYS A 33 22.517 -6.168 -1.930 1.00 0.00 O ATOM 491 CB CYS A 33 21.665 -5.876 -4.730 1.00 0.00 C ATOM 492 SG CYS A 33 21.962 -4.102 -4.928 1.00 0.00 S ATOM 0 H CYS A 33 21.687 -8.264 -4.065 1.00 0.00 H new ATOM 0 HA CYS A 33 23.798 -6.301 -4.896 1.00 0.00 H new ATOM 0 HB2 CYS A 33 21.340 -6.310 -5.675 1.00 0.00 H new ATOM 0 HB3 CYS A 33 20.864 -6.045 -4.010 1.00 0.00 H new ATOM 497 N CYS A 34 24.512 -5.604 -2.656 1.00 0.00 N ATOM 498 CA CYS A 34 24.922 -5.143 -1.299 1.00 0.00 C ATOM 499 C CYS A 34 25.650 -3.800 -1.384 1.00 0.00 C ATOM 500 O CYS A 34 26.550 -3.619 -2.180 1.00 0.00 O ATOM 501 CB CYS A 34 25.864 -6.231 -0.785 1.00 0.00 C ATOM 502 SG CYS A 34 24.918 -7.736 -0.447 1.00 0.00 S ATOM 0 H CYS A 34 25.223 -5.509 -3.381 1.00 0.00 H new ATOM 0 HA CYS A 34 24.067 -4.993 -0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.640 -6.434 -1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 34 26.367 -5.893 0.121 1.00 0.00 H new ATOM 507 N LYS A 35 25.265 -2.858 -0.568 1.00 0.00 N ATOM 508 CA LYS A 35 25.933 -1.526 -0.597 1.00 0.00 C ATOM 509 C LYS A 35 26.343 -1.108 0.818 1.00 0.00 C ATOM 510 O LYS A 35 26.524 -1.987 1.646 1.00 0.00 O ATOM 511 CB LYS A 35 24.877 -0.570 -1.150 1.00 0.00 C ATOM 512 CG LYS A 35 23.729 -0.445 -0.148 1.00 0.00 C ATOM 513 CD LYS A 35 22.631 0.440 -0.739 1.00 0.00 C ATOM 514 CE LYS A 35 23.040 1.908 -0.613 1.00 0.00 C ATOM 515 NZ LYS A 35 22.817 2.245 0.820 1.00 0.00 N ATOM 516 OXT LYS A 35 26.470 0.083 1.050 1.00 0.00 O ATOM 0 H LYS A 35 24.516 -2.953 0.118 1.00 0.00 H new ATOM 0 HA LYS A 35 26.840 -1.531 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 35 25.319 0.409 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 35 24.502 -0.938 -2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 35 23.329 -1.431 0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 35 24.092 -0.017 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.467 0.185 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.689 0.267 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 35 24.083 2.053 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.441 2.543 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.125 3.018 0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.455 1.409 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.715 2.544 1.250 1.00 0.00 H new TER 530 LYS A 35