USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 249 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0596 X(o=-0.06,f=-0.48) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 15 GLN : amide:sc= -6.15! C(o=-6.2!,f=-8.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -155:sc= -1.93 USER MOD Single : A 21 LYS NZ :NH3+ 127:sc= -0.271 (180deg=-1.73!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 16 N CYS A 2 2.412 -1.301 -3.193 1.00 0.00 N ATOM 17 CA CYS A 2 2.135 -2.395 -4.116 1.00 0.00 C ATOM 18 C CYS A 2 2.883 -3.659 -3.702 1.00 0.00 C ATOM 19 O CYS A 2 4.091 -3.629 -3.463 1.00 0.00 O ATOM 20 CB CYS A 2 2.528 -2.001 -5.541 1.00 0.00 C ATOM 21 SG CYS A 2 2.159 -0.267 -5.961 1.00 0.00 S ATOM 0 HA CYS A 2 1.065 -2.600 -4.085 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.596 -2.177 -5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.008 -2.652 -6.243 1.00 0.00 H new ATOM 26 N LEU A 3 2.157 -4.769 -3.618 1.00 0.00 N ATOM 27 CA LEU A 3 2.751 -6.045 -3.233 1.00 0.00 C ATOM 28 C LEU A 3 2.795 -7.004 -4.418 1.00 0.00 C ATOM 29 O LEU A 3 1.865 -7.780 -4.636 1.00 0.00 O ATOM 30 CB LEU A 3 1.960 -6.672 -2.084 1.00 0.00 C ATOM 31 CG LEU A 3 1.146 -5.705 -1.223 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.072 -6.404 -0.641 1.00 0.00 C ATOM 33 CD2 LEU A 3 2.009 -5.122 -0.114 1.00 0.00 C ATOM 0 H LEU A 3 1.156 -4.811 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 3 3.773 -5.857 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.281 -7.416 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.658 -7.204 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 3 0.802 -4.887 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.639 -5.700 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.702 -6.772 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.250 -7.242 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.413 -4.436 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.384 -5.928 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.849 -4.584 -0.552 1.00 0.00 H new ATOM 45 N GLU A 4 3.884 -6.946 -5.179 1.00 0.00 N ATOM 46 CA GLU A 4 4.049 -7.812 -6.341 1.00 0.00 C ATOM 47 C GLU A 4 4.807 -9.083 -5.969 1.00 0.00 C ATOM 48 O GLU A 4 4.757 -10.081 -6.689 1.00 0.00 O ATOM 49 CB GLU A 4 4.790 -7.070 -7.456 1.00 0.00 C ATOM 50 CG GLU A 4 6.271 -6.876 -7.178 1.00 0.00 C ATOM 51 CD GLU A 4 6.946 -5.990 -8.206 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.656 -4.775 -8.226 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.766 -6.511 -8.991 1.00 0.00 O ATOM 0 H GLU A 4 4.664 -6.310 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 4 3.058 -8.092 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.673 -7.622 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.326 -6.095 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.397 -6.438 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.764 -7.848 -7.162 1.00 0.00 H new ATOM 60 N ILE A 5 5.510 -9.037 -4.843 1.00 0.00 N ATOM 61 CA ILE A 5 6.278 -10.184 -4.375 1.00 0.00 C ATOM 62 C ILE A 5 5.369 -11.239 -3.755 1.00 0.00 C ATOM 63 O ILE A 5 5.758 -12.397 -3.600 1.00 0.00 O ATOM 64 CB ILE A 5 7.341 -9.766 -3.341 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.110 -10.992 -2.844 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.688 -9.036 -2.177 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.689 -11.835 -3.959 1.00 0.00 C ATOM 0 H ILE A 5 5.564 -8.218 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 5 6.777 -10.606 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 5 8.047 -9.088 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.918 -10.664 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.444 -11.609 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.451 -8.747 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.181 -8.144 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.963 -9.693 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.220 -12.686 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.884 -12.194 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.381 -11.233 -4.548 1.00 0.00 H new ATOM 79 N PHE A 6 4.154 -10.832 -3.402 1.00 0.00 N ATOM 80 CA PHE A 6 3.187 -11.742 -2.799 1.00 0.00 C ATOM 81 C PHE A 6 3.020 -11.450 -1.311 1.00 0.00 C ATOM 82 O PHE A 6 2.758 -12.351 -0.515 1.00 0.00 O ATOM 83 CB PHE A 6 3.628 -13.194 -2.999 1.00 0.00 C ATOM 84 CG PHE A 6 4.420 -13.743 -1.847 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.349 -12.954 -1.189 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.235 -15.049 -1.422 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.080 -13.458 -0.129 1.00 0.00 C ATOM 88 CE2 PHE A 6 4.962 -15.558 -0.363 1.00 0.00 C ATOM 89 CZ PHE A 6 5.885 -14.761 0.285 1.00 0.00 C ATOM 0 H PHE A 6 3.816 -9.877 -3.523 1.00 0.00 H new ATOM 0 HA PHE A 6 2.226 -11.590 -3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.746 -13.816 -3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.227 -13.262 -3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.504 -11.934 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.514 -15.677 -1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.803 -12.833 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.809 -16.578 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.453 -15.156 1.114 1.00 0.00 H new ATOM 99 N LYS A 7 3.174 -10.183 -0.942 1.00 0.00 N ATOM 100 CA LYS A 7 3.039 -9.768 0.449 1.00 0.00 C ATOM 101 C LYS A 7 1.570 -9.667 0.848 1.00 0.00 C ATOM 102 O LYS A 7 0.738 -9.198 0.072 1.00 0.00 O ATOM 103 CB LYS A 7 3.732 -8.422 0.672 1.00 0.00 C ATOM 104 CG LYS A 7 4.837 -8.472 1.712 1.00 0.00 C ATOM 105 CD LYS A 7 5.949 -9.422 1.301 1.00 0.00 C ATOM 106 CE LYS A 7 7.321 -8.845 1.616 1.00 0.00 C ATOM 107 NZ LYS A 7 7.742 -9.145 3.012 1.00 0.00 N ATOM 0 H LYS A 7 3.393 -9.425 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 7 3.516 -10.523 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.150 -8.077 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.988 -7.687 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.247 -7.472 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.423 -8.788 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.826 -10.373 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.876 -9.628 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.055 -9.252 0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.304 -7.766 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.682 -8.735 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.056 -8.735 3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.783 -10.175 3.148 1.00 0.00 H new ATOM 121 N ALA A 8 1.259 -10.110 2.062 1.00 0.00 N ATOM 122 CA ALA A 8 -0.109 -10.066 2.563 1.00 0.00 C ATOM 123 C ALA A 8 -0.768 -8.729 2.244 1.00 0.00 C ATOM 124 O ALA A 8 -0.322 -7.678 2.707 1.00 0.00 O ATOM 125 CB ALA A 8 -0.129 -10.321 4.063 1.00 0.00 C ATOM 0 H ALA A 8 1.936 -10.503 2.716 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.678 -10.850 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.157 -10.285 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.295 -11.303 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.461 -9.557 4.570 1.00 0.00 H new ATOM 131 N CYS A 9 -1.831 -8.774 1.448 1.00 0.00 N ATOM 132 CA CYS A 9 -2.552 -7.566 1.065 1.00 0.00 C ATOM 133 C CYS A 9 -3.707 -7.294 2.024 1.00 0.00 C ATOM 134 O CYS A 9 -4.302 -8.220 2.574 1.00 0.00 O ATOM 135 CB CYS A 9 -3.082 -7.695 -0.365 1.00 0.00 C ATOM 136 SG CYS A 9 -4.896 -7.809 -0.478 1.00 0.00 S ATOM 0 H CYS A 9 -2.212 -9.635 1.055 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.857 -6.728 1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.746 -6.835 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.644 -8.581 -0.825 1.00 0.00 H new ATOM 141 N ASN A 10 -4.019 -6.017 2.219 1.00 0.00 N ATOM 142 CA ASN A 10 -5.103 -5.623 3.112 1.00 0.00 C ATOM 143 C ASN A 10 -6.437 -5.601 2.372 1.00 0.00 C ATOM 144 O ASN A 10 -6.503 -5.350 1.168 1.00 0.00 O ATOM 145 CB ASN A 10 -4.819 -4.246 3.715 1.00 0.00 C ATOM 146 CG ASN A 10 -3.921 -4.322 4.935 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.005 -5.143 4.994 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.180 -3.465 5.915 1.00 0.00 N ATOM 0 H ASN A 10 -3.537 -5.238 1.771 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.165 -6.358 3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.351 -3.612 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.761 -3.772 3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.609 -3.469 6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.950 -2.802 5.823 1.00 0.00 H new ATOM 155 N PRO A 11 -7.526 -5.869 3.107 1.00 0.00 N ATOM 156 CA PRO A 11 -8.878 -5.886 2.542 1.00 0.00 C ATOM 157 C PRO A 11 -9.362 -4.492 2.157 1.00 0.00 C ATOM 158 O PRO A 11 -9.943 -4.300 1.089 1.00 0.00 O ATOM 159 CB PRO A 11 -9.731 -6.452 3.680 1.00 0.00 C ATOM 160 CG PRO A 11 -8.976 -6.121 4.921 1.00 0.00 C ATOM 161 CD PRO A 11 -7.521 -6.178 4.547 1.00 0.00 C ATOM 0 HA PRO A 11 -8.928 -6.469 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.725 -6.004 3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.867 -7.528 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.246 -5.131 5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.203 -6.831 5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.933 -5.454 5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.093 -7.161 4.746 1.00 0.00 H new ATOM 169 N SER A 12 -9.119 -3.523 3.033 1.00 0.00 N ATOM 170 CA SER A 12 -9.533 -2.146 2.785 1.00 0.00 C ATOM 171 C SER A 12 -8.351 -1.298 2.326 1.00 0.00 C ATOM 172 O SER A 12 -8.457 -0.533 1.369 1.00 0.00 O ATOM 173 CB SER A 12 -10.150 -1.542 4.048 1.00 0.00 C ATOM 174 OG SER A 12 -11.336 -2.225 4.414 1.00 0.00 O ATOM 0 H SER A 12 -8.638 -3.665 3.921 1.00 0.00 H new ATOM 0 HA SER A 12 -10.281 -2.154 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.432 -1.591 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.371 -0.488 3.880 1.00 0.00 H new ATOM 0 HG SER A 12 -11.709 -1.821 5.225 1.00 0.00 H new ATOM 180 N ASN A 13 -7.225 -1.440 3.018 1.00 0.00 N ATOM 181 CA ASN A 13 -6.022 -0.686 2.682 1.00 0.00 C ATOM 182 C ASN A 13 -5.465 -1.124 1.331 1.00 0.00 C ATOM 183 O ASN A 13 -4.655 -2.048 1.252 1.00 0.00 O ATOM 184 CB ASN A 13 -4.960 -0.870 3.768 1.00 0.00 C ATOM 185 CG ASN A 13 -4.105 0.367 3.956 1.00 0.00 C ATOM 186 OD1 ASN A 13 -3.877 1.127 3.014 1.00 0.00 O ATOM 187 ND2 ASN A 13 -3.626 0.576 5.177 1.00 0.00 N ATOM 0 H ASN A 13 -7.120 -2.069 3.814 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.290 0.369 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.448 -1.118 4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.321 -1.714 3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.044 1.393 5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.840 -0.080 5.928 1.00 0.00 H new ATOM 194 N ASP A 14 -5.904 -0.453 0.271 1.00 0.00 N ATOM 195 CA ASP A 14 -5.448 -0.771 -1.077 1.00 0.00 C ATOM 196 C ASP A 14 -3.924 -0.785 -1.146 1.00 0.00 C ATOM 197 O ASP A 14 -3.283 0.265 -1.131 1.00 0.00 O ATOM 198 CB ASP A 14 -6.007 0.240 -2.079 1.00 0.00 C ATOM 199 CG ASP A 14 -7.464 -0.018 -2.410 1.00 0.00 C ATOM 200 OD1 ASP A 14 -8.027 -1.001 -1.883 1.00 0.00 O ATOM 201 OD2 ASP A 14 -8.041 0.763 -3.194 1.00 0.00 O ATOM 0 H ASP A 14 -6.575 0.314 0.320 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.814 -1.765 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.902 1.246 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.417 0.203 -2.995 1.00 0.00 H new ATOM 206 N GLN A 15 -3.351 -1.982 -1.221 1.00 0.00 N ATOM 207 CA GLN A 15 -1.902 -2.132 -1.291 1.00 0.00 C ATOM 208 C GLN A 15 -1.443 -2.316 -2.733 1.00 0.00 C ATOM 209 O GLN A 15 -0.735 -1.471 -3.283 1.00 0.00 O ATOM 210 CB GLN A 15 -1.450 -3.322 -0.443 1.00 0.00 C ATOM 211 CG GLN A 15 -1.450 -3.040 1.051 1.00 0.00 C ATOM 212 CD GLN A 15 -0.444 -3.888 1.805 1.00 0.00 C ATOM 213 OE1 GLN A 15 -0.721 -5.036 2.154 1.00 0.00 O ATOM 214 NE2 GLN A 15 0.732 -3.327 2.059 1.00 0.00 N ATOM 0 H GLN A 15 -3.867 -2.861 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.448 -1.222 -0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.104 -4.170 -0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.446 -3.615 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.229 -1.986 1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.447 -3.224 1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.919 -2.373 1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.449 -3.850 2.562 1.00 0.00 H new ATOM 223 N CYS A 16 -1.849 -3.426 -3.341 1.00 0.00 N ATOM 224 CA CYS A 16 -1.478 -3.722 -4.720 1.00 0.00 C ATOM 225 C CYS A 16 -1.535 -2.464 -5.581 1.00 0.00 C ATOM 226 O CYS A 16 -2.325 -1.556 -5.322 1.00 0.00 O ATOM 227 CB CYS A 16 -2.405 -4.792 -5.300 1.00 0.00 C ATOM 228 SG CYS A 16 -2.879 -6.090 -4.112 1.00 0.00 S ATOM 0 H CYS A 16 -2.435 -4.135 -2.900 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.454 -4.096 -4.722 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.308 -4.310 -5.675 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.914 -5.258 -6.154 1.00 0.00 H new ATOM 233 N CYS A 17 -0.691 -2.417 -6.606 1.00 0.00 N ATOM 234 CA CYS A 17 -0.644 -1.271 -7.506 1.00 0.00 C ATOM 235 C CYS A 17 -1.894 -1.213 -8.379 1.00 0.00 C ATOM 236 O CYS A 17 -2.829 -1.993 -8.198 1.00 0.00 O ATOM 237 CB CYS A 17 0.605 -1.340 -8.388 1.00 0.00 C ATOM 238 SG CYS A 17 1.900 -0.140 -7.939 1.00 0.00 S ATOM 0 H CYS A 17 -0.030 -3.160 -6.834 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.604 -0.366 -6.900 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.021 -2.346 -8.332 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.314 -1.173 -9.425 1.00 0.00 H new ATOM 243 N LYS A 18 -1.903 -0.283 -9.328 1.00 0.00 N ATOM 244 CA LYS A 18 -3.036 -0.122 -10.231 1.00 0.00 C ATOM 245 C LYS A 18 -2.802 -0.873 -11.538 1.00 0.00 C ATOM 246 O LYS A 18 -3.323 -1.971 -11.736 1.00 0.00 O ATOM 247 CB LYS A 18 -3.278 1.361 -10.520 1.00 0.00 C ATOM 248 CG LYS A 18 -4.232 2.024 -9.541 1.00 0.00 C ATOM 249 CD LYS A 18 -3.723 1.925 -8.113 1.00 0.00 C ATOM 250 CE LYS A 18 -4.421 2.924 -7.202 1.00 0.00 C ATOM 251 NZ LYS A 18 -5.687 2.374 -6.643 1.00 0.00 N ATOM 0 H LYS A 18 -1.138 0.371 -9.492 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.917 -0.540 -9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.324 1.887 -10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.676 1.466 -11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.361 3.072 -9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.213 1.554 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.884 0.914 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.648 2.104 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.753 3.200 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.636 3.836 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.132 3.085 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.335 2.134 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.479 1.518 -6.090 1.00 0.00 H new ATOM 265 N SER A 19 -2.012 -0.276 -12.425 1.00 0.00 N ATOM 266 CA SER A 19 -1.711 -0.888 -13.714 1.00 0.00 C ATOM 267 C SER A 19 -1.055 -2.253 -13.527 1.00 0.00 C ATOM 268 O SER A 19 -1.080 -3.095 -14.425 1.00 0.00 O ATOM 269 CB SER A 19 -0.794 0.023 -14.533 1.00 0.00 C ATOM 270 OG SER A 19 -0.495 -0.554 -15.792 1.00 0.00 O ATOM 0 H SER A 19 -1.569 0.630 -12.275 1.00 0.00 H new ATOM 0 HA SER A 19 -2.649 -1.025 -14.251 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.273 0.991 -14.678 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.130 0.203 -13.983 1.00 0.00 H new ATOM 0 HG SER A 19 0.091 0.048 -16.297 1.00 0.00 H new ATOM 276 N SER A 20 -0.468 -2.465 -12.353 1.00 0.00 N ATOM 277 CA SER A 20 0.198 -3.725 -12.047 1.00 0.00 C ATOM 278 C SER A 20 -0.790 -4.887 -12.095 1.00 0.00 C ATOM 279 O SER A 20 -1.980 -4.717 -11.832 1.00 0.00 O ATOM 280 CB SER A 20 0.856 -3.658 -10.668 1.00 0.00 C ATOM 281 OG SER A 20 1.726 -2.543 -10.573 1.00 0.00 O ATOM 0 H SER A 20 -0.440 -1.780 -11.598 1.00 0.00 H new ATOM 0 HA SER A 20 0.967 -3.892 -12.801 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.088 -3.591 -9.898 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.414 -4.576 -10.483 1.00 0.00 H new ATOM 0 HG SER A 20 2.409 -2.718 -9.893 1.00 0.00 H new ATOM 287 N LYS A 21 -0.286 -6.069 -12.434 1.00 0.00 N ATOM 288 CA LYS A 21 -1.122 -7.262 -12.516 1.00 0.00 C ATOM 289 C LYS A 21 -1.213 -7.957 -11.161 1.00 0.00 C ATOM 290 O LYS A 21 -2.128 -8.745 -10.916 1.00 0.00 O ATOM 291 CB LYS A 21 -0.563 -8.230 -13.561 1.00 0.00 C ATOM 292 CG LYS A 21 -1.634 -9.017 -14.296 1.00 0.00 C ATOM 293 CD LYS A 21 -1.045 -9.829 -15.437 1.00 0.00 C ATOM 294 CE LYS A 21 -0.880 -8.988 -16.693 1.00 0.00 C ATOM 295 NZ LYS A 21 0.432 -8.284 -16.721 1.00 0.00 N ATOM 0 H LYS A 21 0.697 -6.227 -12.656 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.124 -6.953 -12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.025 -7.668 -14.286 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.117 -8.927 -13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.141 -9.683 -13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.387 -8.332 -14.686 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.077 -10.231 -15.137 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.691 -10.680 -15.650 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.968 -9.627 -17.572 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.686 -8.256 -16.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.919 -8.492 -17.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.278 -7.259 -16.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.017 -8.609 -15.925 1.00 0.00 H new ATOM 309 N LEU A 22 -0.261 -7.659 -10.284 1.00 0.00 N ATOM 310 CA LEU A 22 -0.235 -8.254 -8.952 1.00 0.00 C ATOM 311 C LEU A 22 -1.643 -8.363 -8.376 1.00 0.00 C ATOM 312 O LEU A 22 -2.251 -7.360 -8.001 1.00 0.00 O ATOM 313 CB LEU A 22 0.647 -7.424 -8.018 1.00 0.00 C ATOM 314 CG LEU A 22 1.184 -6.112 -8.592 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.420 -5.101 -7.481 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.466 -6.357 -9.374 1.00 0.00 C ATOM 0 H LEU A 22 0.503 -7.009 -10.471 1.00 0.00 H new ATOM 0 HA LEU A 22 0.181 -9.258 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.076 -7.197 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.494 -8.037 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 22 0.438 -5.704 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.802 -4.174 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.481 -4.903 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.146 -5.501 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.834 -5.413 -9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.218 -6.788 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.266 -7.046 -10.194 1.00 0.00 H new ATOM 328 N VAL A 23 -2.156 -9.587 -8.308 1.00 0.00 N ATOM 329 CA VAL A 23 -3.492 -9.828 -7.775 1.00 0.00 C ATOM 330 C VAL A 23 -3.427 -10.349 -6.343 1.00 0.00 C ATOM 331 O VAL A 23 -2.509 -11.086 -5.980 1.00 0.00 O ATOM 332 CB VAL A 23 -4.269 -10.837 -8.641 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.554 -12.179 -8.669 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.693 -10.992 -8.130 1.00 0.00 C ATOM 0 H VAL A 23 -1.667 -10.428 -8.615 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.014 -8.871 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.313 -10.455 -9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.118 -12.879 -9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.555 -12.051 -9.087 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.476 -12.571 -7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.227 -11.709 -8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.673 -11.351 -7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.200 -10.028 -8.169 1.00 0.00 H new ATOM 344 N CYS A 24 -4.406 -9.962 -5.533 1.00 0.00 N ATOM 345 CA CYS A 24 -4.462 -10.389 -4.141 1.00 0.00 C ATOM 346 C CYS A 24 -5.751 -11.155 -3.858 1.00 0.00 C ATOM 347 O CYS A 24 -5.786 -12.034 -2.997 1.00 0.00 O ATOM 348 CB CYS A 24 -4.360 -9.179 -3.210 1.00 0.00 C ATOM 349 SG CYS A 24 -5.369 -9.316 -1.699 1.00 0.00 S ATOM 0 H CYS A 24 -5.173 -9.352 -5.818 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.618 -11.053 -3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.317 -9.039 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.664 -8.286 -3.757 1.00 0.00 H new ATOM 354 N SER A 25 -6.807 -10.815 -4.589 1.00 0.00 N ATOM 355 CA SER A 25 -8.099 -11.468 -4.414 1.00 0.00 C ATOM 356 C SER A 25 -8.082 -12.874 -5.007 1.00 0.00 C ATOM 357 O SER A 25 -8.340 -13.856 -4.311 1.00 0.00 O ATOM 358 CB SER A 25 -9.206 -10.640 -5.070 1.00 0.00 C ATOM 359 OG SER A 25 -10.425 -11.361 -5.114 1.00 0.00 O ATOM 0 H SER A 25 -6.794 -10.091 -5.308 1.00 0.00 H new ATOM 0 HA SER A 25 -8.297 -11.545 -3.345 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.348 -9.713 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.907 -10.363 -6.081 1.00 0.00 H new ATOM 0 HG SER A 25 -11.116 -10.809 -5.536 1.00 0.00 H new ATOM 365 N ARG A 26 -7.776 -12.961 -6.298 1.00 0.00 N ATOM 366 CA ARG A 26 -7.726 -14.245 -6.986 1.00 0.00 C ATOM 367 C ARG A 26 -6.923 -15.263 -6.181 1.00 0.00 C ATOM 368 O ARG A 26 -7.412 -16.349 -5.869 1.00 0.00 O ATOM 369 CB ARG A 26 -7.111 -14.079 -8.376 1.00 0.00 C ATOM 370 CG ARG A 26 -8.020 -13.367 -9.364 1.00 0.00 C ATOM 371 CD ARG A 26 -7.413 -13.335 -10.758 1.00 0.00 C ATOM 372 NE ARG A 26 -7.420 -14.652 -11.388 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.326 -14.840 -12.700 1.00 0.00 C ATOM 374 NH1 ARG A 26 -7.217 -13.800 -13.516 1.00 0.00 N ATOM 375 NH2 ARG A 26 -7.340 -16.069 -13.199 1.00 0.00 N ATOM 0 H ARG A 26 -7.559 -12.158 -6.888 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.747 -14.613 -7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.178 -13.522 -8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.858 -15.063 -8.772 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.986 -13.870 -9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.203 -12.348 -9.022 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.969 -12.633 -11.379 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.389 -12.967 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.502 -15.473 -10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.205 -12.853 -13.137 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.145 -13.947 -14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.423 -16.872 -12.575 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.268 -16.211 -14.206 1.00 0.00 H new ATOM 389 N LYS A 27 -5.688 -14.904 -5.847 1.00 0.00 N ATOM 390 CA LYS A 27 -4.817 -15.784 -5.078 1.00 0.00 C ATOM 391 C LYS A 27 -4.964 -15.523 -3.582 1.00 0.00 C ATOM 392 O LYS A 27 -5.883 -14.827 -3.150 1.00 0.00 O ATOM 393 CB LYS A 27 -3.359 -15.587 -5.499 1.00 0.00 C ATOM 394 CG LYS A 27 -3.138 -15.697 -6.998 1.00 0.00 C ATOM 395 CD LYS A 27 -3.095 -17.148 -7.449 1.00 0.00 C ATOM 396 CE LYS A 27 -2.914 -17.257 -8.956 1.00 0.00 C ATOM 397 NZ LYS A 27 -2.888 -18.675 -9.409 1.00 0.00 N ATOM 0 H LYS A 27 -5.268 -14.009 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.112 -16.814 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.021 -14.607 -5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.740 -16.329 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.937 -15.175 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.204 -15.203 -7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.277 -17.663 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.017 -17.649 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.725 -16.730 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.986 -16.765 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.763 -18.708 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.099 -19.172 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.784 -19.137 -9.154 1.00 0.00 H new ATOM 411 N THR A 28 -4.052 -16.086 -2.795 1.00 0.00 N ATOM 412 CA THR A 28 -4.081 -15.915 -1.348 1.00 0.00 C ATOM 413 C THR A 28 -4.196 -14.442 -0.971 1.00 0.00 C ATOM 414 O THR A 28 -4.086 -13.563 -1.825 1.00 0.00 O ATOM 415 CB THR A 28 -2.821 -16.506 -0.687 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.190 -17.433 -1.578 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.172 -17.206 0.617 1.00 0.00 C ATOM 0 H THR A 28 -3.284 -16.664 -3.136 1.00 0.00 H new ATOM 0 HA THR A 28 -4.958 -16.450 -0.984 1.00 0.00 H new ATOM 0 HB THR A 28 -2.134 -15.688 -0.468 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.389 -17.803 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.267 -17.615 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.626 -16.491 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.876 -18.014 0.418 1.00 0.00 H new ATOM 425 N ARG A 29 -4.416 -14.180 0.313 1.00 0.00 N ATOM 426 CA ARG A 29 -4.546 -12.813 0.803 1.00 0.00 C ATOM 427 C ARG A 29 -3.378 -11.953 0.328 1.00 0.00 C ATOM 428 O ARG A 29 -3.480 -10.728 0.273 1.00 0.00 O ATOM 429 CB ARG A 29 -4.614 -12.801 2.331 1.00 0.00 C ATOM 430 CG ARG A 29 -5.664 -13.740 2.901 1.00 0.00 C ATOM 431 CD ARG A 29 -5.128 -14.517 4.094 1.00 0.00 C ATOM 432 NE ARG A 29 -4.315 -15.659 3.683 1.00 0.00 N ATOM 433 CZ ARG A 29 -3.590 -16.386 4.525 1.00 0.00 C ATOM 434 NH1 ARG A 29 -3.577 -16.093 5.818 1.00 0.00 N ATOM 435 NH2 ARG A 29 -2.877 -17.410 4.075 1.00 0.00 N ATOM 0 H ARG A 29 -4.508 -14.897 1.033 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.470 -12.395 0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.638 -13.075 2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.824 -11.786 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.541 -13.167 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.989 -14.436 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.531 -13.854 4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.962 -14.866 4.703 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.304 -15.912 2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.125 -15.307 6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.019 -16.653 6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.885 -17.640 3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.320 -17.968 4.723 1.00 0.00 H new ATOM 449 N ALA A 30 -2.271 -12.603 -0.013 1.00 0.00 N ATOM 450 CA ALA A 30 -1.085 -11.898 -0.484 1.00 0.00 C ATOM 451 C ALA A 30 -1.237 -11.482 -1.943 1.00 0.00 C ATOM 452 O ALA A 30 -1.884 -12.172 -2.732 1.00 0.00 O ATOM 453 CB ALA A 30 0.151 -12.768 -0.307 1.00 0.00 C ATOM 0 H ALA A 30 -2.170 -13.617 0.028 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.968 -10.994 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.029 -12.229 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.277 -13.011 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.033 -13.688 -0.879 1.00 0.00 H new ATOM 459 N CYS A 31 -0.639 -10.350 -2.296 1.00 0.00 N ATOM 460 CA CYS A 31 -0.708 -9.841 -3.660 1.00 0.00 C ATOM 461 C CYS A 31 0.570 -10.164 -4.428 1.00 0.00 C ATOM 462 O CYS A 31 1.664 -9.756 -4.036 1.00 0.00 O ATOM 463 CB CYS A 31 -0.942 -8.328 -3.651 1.00 0.00 C ATOM 464 SG CYS A 31 -2.113 -7.749 -4.920 1.00 0.00 S ATOM 0 H CYS A 31 -0.100 -9.767 -1.655 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.544 -10.329 -4.161 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.313 -8.034 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.013 -7.823 -3.795 1.00 0.00 H new ATOM 469 N LYS A 32 0.425 -10.901 -5.524 1.00 0.00 N ATOM 470 CA LYS A 32 1.566 -11.280 -6.349 1.00 0.00 C ATOM 471 C LYS A 32 1.195 -11.268 -7.829 1.00 0.00 C ATOM 472 O LYS A 32 0.045 -11.512 -8.192 1.00 0.00 O ATOM 473 CB LYS A 32 2.072 -12.667 -5.950 1.00 0.00 C ATOM 474 CG LYS A 32 1.333 -13.805 -6.633 1.00 0.00 C ATOM 475 CD LYS A 32 1.234 -15.026 -5.734 1.00 0.00 C ATOM 476 CE LYS A 32 2.531 -15.820 -5.729 1.00 0.00 C ATOM 477 NZ LYS A 32 2.351 -17.171 -5.130 1.00 0.00 N ATOM 0 H LYS A 32 -0.473 -11.248 -5.862 1.00 0.00 H new ATOM 0 HA LYS A 32 2.359 -10.550 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.133 -12.740 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.979 -12.781 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.332 -13.475 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.848 -14.072 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.994 -14.713 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.417 -15.663 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.899 -15.921 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.290 -15.273 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.257 -17.681 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.024 -17.074 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.646 -17.703 -5.679 1.00 0.00 H new ATOM 491 N TYR A 33 2.177 -10.986 -8.678 1.00 0.00 N ATOM 492 CA TYR A 33 1.954 -10.942 -10.118 1.00 0.00 C ATOM 493 C TYR A 33 1.200 -12.182 -10.590 1.00 0.00 C ATOM 494 O TYR A 33 1.543 -13.306 -10.225 1.00 0.00 O ATOM 495 CB TYR A 33 3.287 -10.829 -10.859 1.00 0.00 C ATOM 496 CG TYR A 33 3.627 -9.418 -11.281 1.00 0.00 C ATOM 497 CD1 TYR A 33 2.865 -8.753 -12.234 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.712 -8.748 -10.727 1.00 0.00 C ATOM 499 CE1 TYR A 33 3.173 -7.464 -12.623 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.026 -7.459 -11.109 1.00 0.00 C ATOM 501 CZ TYR A 33 4.254 -6.821 -12.057 1.00 0.00 C ATOM 502 OH TYR A 33 4.565 -5.537 -12.441 1.00 0.00 O ATOM 0 H TYR A 33 3.136 -10.784 -8.394 1.00 0.00 H new ATOM 0 HA TYR A 33 1.348 -10.064 -10.340 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.083 -11.209 -10.218 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.257 -11.466 -11.743 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.017 -9.253 -12.678 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.320 -9.244 -9.985 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.571 -6.962 -13.366 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.872 -6.953 -10.668 1.00 0.00 H new ATOM 0 HH TYR A 33 5.353 -5.230 -11.946 1.00 0.00 H new