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= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -7.22! C(o=-7.2!,f=-11!) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.107) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -155:sc= -1.91 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0968 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 2.394 -1.244 -3.200 1.00 0.00 N ATOM 17 CA CYS A 2 2.140 -2.348 -4.118 1.00 0.00 C ATOM 18 C CYS A 2 2.894 -3.601 -3.683 1.00 0.00 C ATOM 19 O CYS A 2 4.101 -3.561 -3.440 1.00 0.00 O ATOM 20 CB CYS A 2 2.551 -1.961 -5.540 1.00 0.00 C ATOM 21 SG CYS A 2 2.172 -0.234 -5.979 1.00 0.00 S ATOM 0 HA CYS A 2 1.072 -2.563 -4.101 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.622 -2.127 -5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.048 -2.623 -6.245 1.00 0.00 H new ATOM 26 N LEU A 3 2.175 -4.714 -3.586 1.00 0.00 N ATOM 27 CA LEU A 3 2.775 -5.980 -3.180 1.00 0.00 C ATOM 28 C LEU A 3 2.831 -6.956 -4.351 1.00 0.00 C ATOM 29 O LEU A 3 1.906 -7.741 -4.561 1.00 0.00 O ATOM 30 CB LEU A 3 1.983 -6.596 -2.026 1.00 0.00 C ATOM 31 CG LEU A 3 1.104 -5.633 -1.226 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.093 -6.366 -0.639 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.912 -4.960 -0.127 1.00 0.00 C ATOM 0 H LEU A 3 1.176 -4.765 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 3 3.794 -5.781 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.349 -7.386 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.686 -7.069 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 3 0.736 -4.861 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.707 -5.665 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.686 -6.799 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.255 -7.160 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.270 -4.279 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.311 -5.718 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.735 -4.401 -0.571 1.00 0.00 H new ATOM 45 N GLU A 4 3.922 -6.903 -5.108 1.00 0.00 N ATOM 46 CA GLU A 4 4.098 -7.784 -6.257 1.00 0.00 C ATOM 47 C GLU A 4 4.862 -9.044 -5.863 1.00 0.00 C ATOM 48 O GLU A 4 4.819 -10.054 -6.568 1.00 0.00 O ATOM 49 CB GLU A 4 4.840 -7.054 -7.379 1.00 0.00 C ATOM 50 CG GLU A 4 6.318 -6.845 -7.096 1.00 0.00 C ATOM 51 CD GLU A 4 6.932 -5.767 -7.968 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.268 -4.733 -8.189 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.076 -5.958 -8.430 1.00 0.00 O ATOM 0 H GLU A 4 4.697 -6.260 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 4 3.110 -8.075 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.732 -7.621 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.370 -6.085 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.449 -6.577 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.851 -7.783 -7.255 1.00 0.00 H new ATOM 60 N ILE A 5 5.561 -8.978 -4.735 1.00 0.00 N ATOM 61 CA ILE A 5 6.334 -10.113 -4.248 1.00 0.00 C ATOM 62 C ILE A 5 5.427 -11.169 -3.625 1.00 0.00 C ATOM 63 O ILE A 5 5.826 -12.321 -3.449 1.00 0.00 O ATOM 64 CB ILE A 5 7.383 -9.676 -3.209 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.166 -10.888 -2.701 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.712 -8.950 -2.052 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.764 -11.728 -3.808 1.00 0.00 C ATOM 0 H ILE A 5 5.608 -8.150 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 5 6.845 -10.540 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 5 8.082 -8.990 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.965 -10.545 -2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.505 -11.512 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.466 -8.647 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.195 -8.067 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.993 -9.615 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.305 -12.569 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.968 -12.101 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.451 -11.119 -4.396 1.00 0.00 H new ATOM 79 N PHE A 6 4.204 -10.769 -3.293 1.00 0.00 N ATOM 80 CA PHE A 6 3.238 -11.681 -2.690 1.00 0.00 C ATOM 81 C PHE A 6 3.039 -11.362 -1.211 1.00 0.00 C ATOM 82 O PHE A 6 2.763 -12.249 -0.404 1.00 0.00 O ATOM 83 CB PHE A 6 3.703 -13.130 -2.852 1.00 0.00 C ATOM 84 CG PHE A 6 4.502 -13.637 -1.686 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.390 -12.806 -1.023 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.364 -14.946 -1.252 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.127 -13.270 0.050 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.098 -15.416 -0.179 1.00 0.00 C ATOM 89 CZ PHE A 6 5.979 -14.577 0.474 1.00 0.00 C ATOM 0 H PHE A 6 3.858 -9.819 -3.431 1.00 0.00 H new ATOM 0 HA PHE A 6 2.285 -11.552 -3.203 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.831 -13.770 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.305 -13.211 -3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.508 -11.783 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.675 -15.606 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.818 -12.612 0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.982 -16.439 0.148 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.551 -14.941 1.314 1.00 0.00 H new ATOM 99 N LYS A 7 3.182 -10.087 -0.863 1.00 0.00 N ATOM 100 CA LYS A 7 3.017 -9.648 0.517 1.00 0.00 C ATOM 101 C LYS A 7 1.541 -9.593 0.898 1.00 0.00 C ATOM 102 O LYS A 7 0.700 -9.174 0.104 1.00 0.00 O ATOM 103 CB LYS A 7 3.657 -8.272 0.716 1.00 0.00 C ATOM 104 CG LYS A 7 4.373 -8.121 2.047 1.00 0.00 C ATOM 105 CD LYS A 7 5.815 -8.595 1.961 1.00 0.00 C ATOM 106 CE LYS A 7 6.567 -8.326 3.255 1.00 0.00 C ATOM 107 NZ LYS A 7 7.834 -9.106 3.332 1.00 0.00 N ATOM 0 H LYS A 7 3.412 -9.340 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 7 3.515 -10.371 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.366 -8.090 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.885 -7.507 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.350 -7.076 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.846 -8.692 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.836 -9.663 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.317 -8.090 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.790 -7.262 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.932 -8.580 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.317 -8.895 4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.619 -10.123 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.451 -8.845 2.536 1.00 0.00 H new ATOM 121 N ALA A 8 1.234 -10.019 2.119 1.00 0.00 N ATOM 122 CA ALA A 8 -0.140 -10.015 2.607 1.00 0.00 C ATOM 123 C ALA A 8 -0.828 -8.689 2.298 1.00 0.00 C ATOM 124 O ALA A 8 -0.457 -7.645 2.836 1.00 0.00 O ATOM 125 CB ALA A 8 -0.170 -10.291 4.103 1.00 0.00 C ATOM 0 H ALA A 8 1.918 -10.371 2.788 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.685 -10.806 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.202 -10.285 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.275 -11.266 4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.395 -9.520 4.627 1.00 0.00 H new ATOM 131 N CYS A 9 -1.831 -8.738 1.428 1.00 0.00 N ATOM 132 CA CYS A 9 -2.571 -7.541 1.046 1.00 0.00 C ATOM 133 C CYS A 9 -3.735 -7.293 2.001 1.00 0.00 C ATOM 134 O CYS A 9 -4.318 -8.231 2.542 1.00 0.00 O ATOM 135 CB CYS A 9 -3.092 -7.674 -0.386 1.00 0.00 C ATOM 136 SG CYS A 9 -4.903 -7.836 -0.507 1.00 0.00 S ATOM 0 H CYS A 9 -2.150 -9.594 0.974 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.891 -6.691 1.101 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.777 -6.801 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.628 -8.544 -0.851 1.00 0.00 H new ATOM 141 N ASN A 10 -4.067 -6.022 2.203 1.00 0.00 N ATOM 142 CA ASN A 10 -5.161 -5.650 3.093 1.00 0.00 C ATOM 143 C ASN A 10 -6.493 -5.653 2.349 1.00 0.00 C ATOM 144 O ASN A 10 -6.561 -5.402 1.146 1.00 0.00 O ATOM 145 CB ASN A 10 -4.905 -4.268 3.699 1.00 0.00 C ATOM 146 CG ASN A 10 -4.145 -4.342 5.009 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.226 -5.147 5.161 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.527 -3.501 5.963 1.00 0.00 N ATOM 0 H ASN A 10 -3.594 -5.233 1.763 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.212 -6.387 3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.342 -3.662 2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.858 -3.764 3.863 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.053 -3.505 6.866 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.294 -2.851 5.792 1.00 0.00 H new ATOM 155 N PRO A 11 -7.579 -5.944 3.081 1.00 0.00 N ATOM 156 CA PRO A 11 -8.929 -5.986 2.512 1.00 0.00 C ATOM 157 C PRO A 11 -9.439 -4.601 2.127 1.00 0.00 C ATOM 158 O PRO A 11 -10.071 -4.430 1.084 1.00 0.00 O ATOM 159 CB PRO A 11 -9.774 -6.570 3.646 1.00 0.00 C ATOM 160 CG PRO A 11 -9.029 -6.226 4.890 1.00 0.00 C ATOM 161 CD PRO A 11 -7.572 -6.253 4.521 1.00 0.00 C ATOM 0 HA PRO A 11 -8.965 -6.569 1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.776 -6.142 3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.889 -7.649 3.539 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.320 -5.243 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.244 -6.941 5.684 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.000 -5.517 5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.125 -7.227 4.721 1.00 0.00 H new ATOM 169 N SER A 12 -9.160 -3.616 2.974 1.00 0.00 N ATOM 170 CA SER A 12 -9.593 -2.246 2.723 1.00 0.00 C ATOM 171 C SER A 12 -8.419 -1.377 2.284 1.00 0.00 C ATOM 172 O SER A 12 -8.523 -0.615 1.324 1.00 0.00 O ATOM 173 CB SER A 12 -10.239 -1.656 3.978 1.00 0.00 C ATOM 174 OG SER A 12 -11.378 -2.403 4.366 1.00 0.00 O ATOM 0 H SER A 12 -8.636 -3.741 3.840 1.00 0.00 H new ATOM 0 HA SER A 12 -10.328 -2.264 1.919 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.514 -1.644 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.526 -0.621 3.791 1.00 0.00 H new ATOM 0 HG SER A 12 -11.771 -2.006 5.171 1.00 0.00 H new ATOM 180 N ASN A 13 -7.303 -1.497 2.995 1.00 0.00 N ATOM 181 CA ASN A 13 -6.109 -0.722 2.680 1.00 0.00 C ATOM 182 C ASN A 13 -5.524 -1.146 1.336 1.00 0.00 C ATOM 183 O ASN A 13 -4.714 -2.070 1.263 1.00 0.00 O ATOM 184 CB ASN A 13 -5.060 -0.892 3.781 1.00 0.00 C ATOM 185 CG ASN A 13 -4.218 0.355 3.975 1.00 0.00 C ATOM 186 OD1 ASN A 13 -4.695 1.365 4.492 1.00 0.00 O ATOM 187 ND2 ASN A 13 -2.959 0.289 3.560 1.00 0.00 N ATOM 0 H ASN A 13 -7.201 -2.124 3.793 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.394 0.328 2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.558 -1.140 4.718 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.410 -1.731 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.345 1.097 3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.606 -0.569 3.137 1.00 0.00 H new ATOM 194 N ASP A 14 -5.940 -0.463 0.275 1.00 0.00 N ATOM 195 CA ASP A 14 -5.457 -0.767 -1.067 1.00 0.00 C ATOM 196 C ASP A 14 -3.932 -0.761 -1.110 1.00 0.00 C ATOM 197 O ASP A 14 -3.304 0.292 -1.009 1.00 0.00 O ATOM 198 CB ASP A 14 -6.012 0.242 -2.073 1.00 0.00 C ATOM 199 CG ASP A 14 -6.020 -0.296 -3.490 1.00 0.00 C ATOM 200 OD1 ASP A 14 -5.126 -1.102 -3.823 1.00 0.00 O ATOM 201 OD2 ASP A 14 -6.919 0.089 -4.267 1.00 0.00 O ATOM 0 H ASP A 14 -6.610 0.305 0.318 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.806 -1.764 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.027 0.516 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.414 1.153 -2.037 1.00 0.00 H new ATOM 206 N GLN A 15 -3.345 -1.944 -1.260 1.00 0.00 N ATOM 207 CA GLN A 15 -1.893 -2.074 -1.314 1.00 0.00 C ATOM 208 C GLN A 15 -1.418 -2.269 -2.750 1.00 0.00 C ATOM 209 O GLN A 15 -0.725 -1.416 -3.307 1.00 0.00 O ATOM 210 CB GLN A 15 -1.432 -3.247 -0.448 1.00 0.00 C ATOM 211 CG GLN A 15 -1.316 -2.904 1.028 1.00 0.00 C ATOM 212 CD GLN A 15 -0.343 -3.807 1.762 1.00 0.00 C ATOM 213 OE1 GLN A 15 -0.622 -4.984 1.991 1.00 0.00 O ATOM 214 NE2 GLN A 15 0.808 -3.258 2.135 1.00 0.00 N ATOM 0 H GLN A 15 -3.851 -2.825 -1.346 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.456 -1.153 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.133 -4.073 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.464 -3.596 -0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.994 -1.868 1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.299 -2.980 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.998 -2.278 1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.502 -3.816 2.632 1.00 0.00 H new ATOM 223 N CYS A 16 -1.793 -3.396 -3.345 1.00 0.00 N ATOM 224 CA CYS A 16 -1.405 -3.704 -4.716 1.00 0.00 C ATOM 225 C CYS A 16 -1.483 -2.460 -5.596 1.00 0.00 C ATOM 226 O CYS A 16 -2.296 -1.567 -5.357 1.00 0.00 O ATOM 227 CB CYS A 16 -2.302 -4.804 -5.287 1.00 0.00 C ATOM 228 SG CYS A 16 -2.768 -6.086 -4.079 1.00 0.00 S ATOM 0 H CYS A 16 -2.366 -4.112 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.373 -4.055 -4.705 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.209 -4.348 -5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.789 -5.278 -6.124 1.00 0.00 H new ATOM 233 N CYS A 17 -0.632 -2.409 -6.615 1.00 0.00 N ATOM 234 CA CYS A 17 -0.603 -1.276 -7.532 1.00 0.00 C ATOM 235 C CYS A 17 -1.853 -1.252 -8.406 1.00 0.00 C ATOM 236 O CYS A 17 -2.773 -2.048 -8.217 1.00 0.00 O ATOM 237 CB CYS A 17 0.647 -1.337 -8.412 1.00 0.00 C ATOM 238 SG CYS A 17 1.933 -0.127 -7.962 1.00 0.00 S ATOM 0 H CYS A 17 0.047 -3.140 -6.827 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.578 -0.361 -6.939 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.070 -2.340 -8.354 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.356 -1.173 -9.450 1.00 0.00 H new ATOM 243 N LYS A 18 -1.880 -0.332 -9.365 1.00 0.00 N ATOM 244 CA LYS A 18 -3.015 -0.203 -10.271 1.00 0.00 C ATOM 245 C LYS A 18 -2.760 -0.956 -11.573 1.00 0.00 C ATOM 246 O LYS A 18 -3.261 -2.063 -11.770 1.00 0.00 O ATOM 247 CB LYS A 18 -3.292 1.272 -10.568 1.00 0.00 C ATOM 248 CG LYS A 18 -4.206 1.936 -9.552 1.00 0.00 C ATOM 249 CD LYS A 18 -3.553 2.015 -8.182 1.00 0.00 C ATOM 250 CE LYS A 18 -4.155 3.130 -7.341 1.00 0.00 C ATOM 251 NZ LYS A 18 -5.632 2.992 -7.214 1.00 0.00 N ATOM 0 H LYS A 18 -1.128 0.336 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.888 -0.639 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.345 1.812 -10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.741 1.357 -11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.462 2.939 -9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.139 1.376 -9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.673 1.063 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.482 2.182 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.703 3.122 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.918 4.094 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.988 3.687 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.077 3.160 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.864 2.032 -6.887 1.00 0.00 H new ATOM 265 N SER A 19 -1.977 -0.348 -12.459 1.00 0.00 N ATOM 266 CA SER A 19 -1.658 -0.959 -13.744 1.00 0.00 C ATOM 267 C SER A 19 -0.984 -2.314 -13.547 1.00 0.00 C ATOM 268 O SER A 19 -1.001 -3.163 -14.439 1.00 0.00 O ATOM 269 CB SER A 19 -0.748 -0.038 -14.559 1.00 0.00 C ATOM 270 OG SER A 19 -1.378 1.206 -14.812 1.00 0.00 O ATOM 0 H SER A 19 -1.552 0.567 -12.310 1.00 0.00 H new ATOM 0 HA SER A 19 -2.590 -1.111 -14.288 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.185 0.126 -14.020 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.491 -0.518 -15.503 1.00 0.00 H new ATOM 0 HG SER A 19 -0.776 1.778 -15.333 1.00 0.00 H new ATOM 276 N SER A 20 -0.392 -2.509 -12.374 1.00 0.00 N ATOM 277 CA SER A 20 0.291 -3.759 -12.060 1.00 0.00 C ATOM 278 C SER A 20 -0.680 -4.934 -12.101 1.00 0.00 C ATOM 279 O SER A 20 -1.873 -4.779 -11.839 1.00 0.00 O ATOM 280 CB SER A 20 0.949 -3.673 -10.682 1.00 0.00 C ATOM 281 OG SER A 20 1.790 -2.537 -10.587 1.00 0.00 O ATOM 0 H SER A 20 -0.371 -1.817 -11.625 1.00 0.00 H new ATOM 0 HA SER A 20 1.062 -3.922 -12.813 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.180 -3.625 -9.911 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.531 -4.576 -10.497 1.00 0.00 H new ATOM 0 HG SER A 20 2.478 -2.695 -9.907 1.00 0.00 H new ATOM 287 N LYS A 21 -0.161 -6.112 -12.432 1.00 0.00 N ATOM 288 CA LYS A 21 -0.980 -7.316 -12.507 1.00 0.00 C ATOM 289 C LYS A 21 -1.083 -7.990 -11.142 1.00 0.00 C ATOM 290 O LYS A 21 -1.991 -8.784 -10.898 1.00 0.00 O ATOM 291 CB LYS A 21 -0.394 -8.293 -13.528 1.00 0.00 C ATOM 292 CG LYS A 21 -0.973 -8.136 -14.923 1.00 0.00 C ATOM 293 CD LYS A 21 -2.344 -8.781 -15.034 1.00 0.00 C ATOM 294 CE LYS A 21 -3.057 -8.359 -16.310 1.00 0.00 C ATOM 295 NZ LYS A 21 -2.465 -9.003 -17.515 1.00 0.00 N ATOM 0 H LYS A 21 0.824 -6.258 -12.653 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.981 -7.025 -12.825 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.686 -8.153 -13.574 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.568 -9.313 -13.184 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.047 -7.077 -15.170 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.298 -8.586 -15.651 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.239 -9.866 -15.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.948 -8.505 -14.170 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.113 -8.621 -16.240 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.004 -7.275 -16.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.978 -8.690 -18.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.464 -8.733 -17.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.538 -10.037 -17.428 1.00 0.00 H new ATOM 309 N LEU A 22 -0.147 -7.667 -10.257 1.00 0.00 N ATOM 310 CA LEU A 22 -0.132 -8.240 -8.915 1.00 0.00 C ATOM 311 C LEU A 22 -1.547 -8.355 -8.357 1.00 0.00 C ATOM 312 O LEU A 22 -2.161 -7.355 -7.983 1.00 0.00 O ATOM 313 CB LEU A 22 0.728 -7.385 -7.983 1.00 0.00 C ATOM 314 CG LEU A 22 1.281 -6.090 -8.579 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.527 -5.062 -7.487 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.562 -6.364 -9.355 1.00 0.00 C ATOM 0 H LEU A 22 0.612 -7.011 -10.444 1.00 0.00 H new ATOM 0 HA LEU A 22 0.297 -9.240 -8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.135 -7.133 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.567 -7.990 -7.639 1.00 0.00 H new ATOM 0 HG LEU A 22 0.541 -5.686 -9.270 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.920 -4.147 -7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.590 -4.843 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.248 -5.457 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.941 -5.431 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.308 -6.792 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.355 -7.065 -10.163 1.00 0.00 H new ATOM 328 N VAL A 23 -2.059 -9.580 -8.302 1.00 0.00 N ATOM 329 CA VAL A 23 -3.400 -9.827 -7.786 1.00 0.00 C ATOM 330 C VAL A 23 -3.351 -10.356 -6.357 1.00 0.00 C ATOM 331 O VAL A 23 -2.436 -11.094 -5.988 1.00 0.00 O ATOM 332 CB VAL A 23 -4.165 -10.831 -8.668 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.448 -12.173 -8.695 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.595 -10.992 -8.175 1.00 0.00 C ATOM 0 H VAL A 23 -1.565 -10.418 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.924 -8.871 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.197 -10.442 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.003 -12.870 -9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.444 -12.041 -9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.382 -12.571 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.121 -11.705 -8.810 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.587 -11.358 -7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.104 -10.029 -8.213 1.00 0.00 H new ATOM 344 N CYS A 24 -4.340 -9.975 -5.556 1.00 0.00 N ATOM 345 CA CYS A 24 -4.411 -10.411 -4.167 1.00 0.00 C ATOM 346 C CYS A 24 -5.702 -11.181 -3.904 1.00 0.00 C ATOM 347 O CYS A 24 -5.743 -12.073 -3.056 1.00 0.00 O ATOM 348 CB CYS A 24 -4.322 -9.207 -3.228 1.00 0.00 C ATOM 349 SG CYS A 24 -5.331 -9.365 -1.719 1.00 0.00 S ATOM 0 H CYS A 24 -5.104 -9.365 -5.846 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.568 -11.075 -3.977 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.281 -9.059 -2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.634 -8.314 -3.769 1.00 0.00 H new ATOM 354 N SER A 25 -6.754 -10.830 -4.637 1.00 0.00 N ATOM 355 CA SER A 25 -8.047 -11.485 -4.480 1.00 0.00 C ATOM 356 C SER A 25 -8.017 -12.894 -5.065 1.00 0.00 C ATOM 357 O SER A 25 -8.288 -13.873 -4.369 1.00 0.00 O ATOM 358 CB SER A 25 -9.145 -10.663 -5.159 1.00 0.00 C ATOM 359 OG SER A 25 -10.424 -11.008 -4.658 1.00 0.00 O ATOM 0 H SER A 25 -6.736 -10.096 -5.345 1.00 0.00 H new ATOM 0 HA SER A 25 -8.263 -11.557 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.962 -9.601 -4.996 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.116 -10.830 -6.236 1.00 0.00 H new ATOM 0 HG SER A 25 -11.108 -10.468 -5.107 1.00 0.00 H new ATOM 365 N ARG A 26 -7.685 -12.988 -6.349 1.00 0.00 N ATOM 366 CA ARG A 26 -7.620 -14.276 -7.029 1.00 0.00 C ATOM 367 C ARG A 26 -6.865 -15.299 -6.185 1.00 0.00 C ATOM 368 O ARG A 26 -7.383 -16.373 -5.880 1.00 0.00 O ATOM 369 CB ARG A 26 -6.943 -14.124 -8.392 1.00 0.00 C ATOM 370 CG ARG A 26 -7.817 -13.445 -9.433 1.00 0.00 C ATOM 371 CD ARG A 26 -7.085 -13.286 -10.757 1.00 0.00 C ATOM 372 NE ARG A 26 -7.223 -14.467 -11.604 1.00 0.00 N ATOM 373 CZ ARG A 26 -8.333 -14.768 -12.270 1.00 0.00 C ATOM 374 NH1 ARG A 26 -9.394 -13.978 -12.188 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.382 -15.861 -13.021 1.00 0.00 N ATOM 0 H ARG A 26 -7.457 -12.188 -6.939 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.639 -14.633 -7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.025 -13.550 -8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.656 -15.110 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.724 -14.030 -9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.127 -12.466 -9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.474 -12.415 -11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.028 -13.098 -10.567 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.424 -15.095 -11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.360 -13.136 -11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.245 -14.212 -12.700 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.567 -16.471 -13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.234 -16.091 -13.532 1.00 0.00 H new ATOM 389 N LYS A 27 -5.636 -14.958 -5.810 1.00 0.00 N ATOM 390 CA LYS A 27 -4.808 -15.844 -5.001 1.00 0.00 C ATOM 391 C LYS A 27 -4.974 -15.539 -3.516 1.00 0.00 C ATOM 392 O LYS A 27 -5.872 -14.795 -3.121 1.00 0.00 O ATOM 393 CB LYS A 27 -3.337 -15.707 -5.400 1.00 0.00 C ATOM 394 CG LYS A 27 -3.088 -15.905 -6.885 1.00 0.00 C ATOM 395 CD LYS A 27 -2.853 -17.368 -7.221 1.00 0.00 C ATOM 396 CE LYS A 27 -2.636 -17.570 -8.713 1.00 0.00 C ATOM 397 NZ LYS A 27 -3.925 -17.688 -9.449 1.00 0.00 N ATOM 0 H LYS A 27 -5.192 -14.073 -6.054 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.133 -16.869 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.981 -14.719 -5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.749 -16.435 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.942 -15.534 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.223 -15.317 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.984 -17.733 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.708 -17.959 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.064 -16.733 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.041 -18.469 -8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.735 -17.825 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.460 -18.502 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.482 -16.820 -9.315 1.00 0.00 H new ATOM 411 N THR A 28 -4.101 -16.116 -2.697 1.00 0.00 N ATOM 412 CA THR A 28 -4.151 -15.906 -1.255 1.00 0.00 C ATOM 413 C THR A 28 -4.201 -14.420 -0.919 1.00 0.00 C ATOM 414 O THR A 28 -4.053 -13.569 -1.796 1.00 0.00 O ATOM 415 CB THR A 28 -2.935 -16.539 -0.553 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.296 -17.474 -1.428 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.356 -17.242 0.729 1.00 0.00 C ATOM 0 H THR A 28 -3.350 -16.733 -3.007 1.00 0.00 H new ATOM 0 HA THR A 28 -5.060 -16.388 -0.896 1.00 0.00 H new ATOM 0 HB THR A 28 -2.235 -15.743 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.523 -17.871 -0.975 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.481 -17.681 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.816 -16.521 1.405 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.074 -18.028 0.494 1.00 0.00 H new ATOM 425 N ARG A 29 -4.411 -14.114 0.358 1.00 0.00 N ATOM 426 CA ARG A 29 -4.482 -12.730 0.810 1.00 0.00 C ATOM 427 C ARG A 29 -3.280 -11.933 0.311 1.00 0.00 C ATOM 428 O ARG A 29 -3.328 -10.706 0.226 1.00 0.00 O ATOM 429 CB ARG A 29 -4.547 -12.673 2.337 1.00 0.00 C ATOM 430 CG ARG A 29 -5.929 -12.965 2.899 1.00 0.00 C ATOM 431 CD ARG A 29 -6.266 -14.445 2.807 1.00 0.00 C ATOM 432 NE ARG A 29 -7.394 -14.804 3.662 1.00 0.00 N ATOM 433 CZ ARG A 29 -8.085 -15.932 3.533 1.00 0.00 C ATOM 434 NH1 ARG A 29 -7.763 -16.806 2.589 1.00 0.00 N ATOM 435 NH2 ARG A 29 -9.099 -16.187 4.349 1.00 0.00 N ATOM 0 H ARG A 29 -4.535 -14.806 1.097 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.388 -12.285 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.837 -13.390 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.230 -11.684 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.975 -12.644 3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.675 -12.386 2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.499 -14.700 1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.394 -15.034 3.091 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.667 -14.153 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.984 -16.613 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.295 -17.671 2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.349 -15.517 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.629 -17.053 4.249 1.00 0.00 H new ATOM 449 N ALA A 30 -2.203 -12.640 -0.016 1.00 0.00 N ATOM 450 CA ALA A 30 -0.989 -11.999 -0.507 1.00 0.00 C ATOM 451 C ALA A 30 -1.151 -11.554 -1.957 1.00 0.00 C ATOM 452 O ALA A 30 -1.797 -12.232 -2.756 1.00 0.00 O ATOM 453 CB ALA A 30 0.197 -12.941 -0.371 1.00 0.00 C ATOM 0 H ALA A 30 -2.146 -13.656 0.050 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.805 -11.112 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.097 -12.449 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.333 -13.205 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.012 -13.845 -0.952 1.00 0.00 H new ATOM 459 N CYS A 31 -0.561 -10.411 -2.289 1.00 0.00 N ATOM 460 CA CYS A 31 -0.641 -9.874 -3.643 1.00 0.00 C ATOM 461 C CYS A 31 0.636 -10.175 -4.423 1.00 0.00 C ATOM 462 O CYS A 31 1.725 -9.746 -4.041 1.00 0.00 O ATOM 463 CB CYS A 31 -0.884 -8.364 -3.602 1.00 0.00 C ATOM 464 SG CYS A 31 -2.030 -7.761 -4.882 1.00 0.00 S ATOM 0 H CYS A 31 -0.022 -9.838 -1.639 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.477 -10.355 -4.150 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.278 -8.097 -2.622 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.071 -7.850 -3.713 1.00 0.00 H new ATOM 469 N LYS A 32 0.493 -10.913 -5.518 1.00 0.00 N ATOM 470 CA LYS A 32 1.633 -11.270 -6.354 1.00 0.00 C ATOM 471 C LYS A 32 1.244 -11.283 -7.829 1.00 0.00 C ATOM 472 O LYS A 32 0.095 -11.561 -8.175 1.00 0.00 O ATOM 473 CB LYS A 32 2.180 -12.641 -5.948 1.00 0.00 C ATOM 474 CG LYS A 32 1.369 -13.805 -6.491 1.00 0.00 C ATOM 475 CD LYS A 32 1.250 -14.925 -5.471 1.00 0.00 C ATOM 476 CE LYS A 32 2.464 -15.840 -5.504 1.00 0.00 C ATOM 477 NZ LYS A 32 2.373 -16.844 -6.600 1.00 0.00 N ATOM 0 H LYS A 32 -0.401 -11.276 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 32 2.408 -10.518 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.208 -12.731 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.207 -12.704 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.374 -13.458 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.839 -14.186 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.141 -14.500 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.350 -15.506 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.366 -15.242 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.557 -16.354 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.219 -17.448 -6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.526 -17.432 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.310 -16.354 -7.515 1.00 0.00 H new ATOM 491 N TYR A 33 2.207 -10.983 -8.693 1.00 0.00 N ATOM 492 CA TYR A 33 1.964 -10.960 -10.130 1.00 0.00 C ATOM 493 C TYR A 33 1.205 -12.207 -10.575 1.00 0.00 C ATOM 494 O TYR A 33 1.649 -13.331 -10.344 1.00 0.00 O ATOM 495 CB TYR A 33 3.287 -10.856 -10.891 1.00 0.00 C ATOM 496 CG TYR A 33 3.637 -9.445 -11.306 1.00 0.00 C ATOM 497 CD1 TYR A 33 2.903 -8.784 -12.282 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.703 -8.772 -10.720 1.00 0.00 C ATOM 499 CE1 TYR A 33 3.220 -7.495 -12.665 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.026 -7.482 -11.095 1.00 0.00 C ATOM 501 CZ TYR A 33 4.282 -6.848 -12.068 1.00 0.00 C ATOM 502 OH TYR A 33 4.601 -5.564 -12.445 1.00 0.00 O ATOM 0 H TYR A 33 3.163 -10.752 -8.423 1.00 0.00 H new ATOM 0 HA TYR A 33 1.353 -10.086 -10.355 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.088 -11.251 -10.266 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.236 -11.485 -11.780 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.069 -9.287 -12.750 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.289 -9.266 -9.959 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.640 -6.997 -13.427 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.857 -6.973 -10.629 1.00 0.00 H new ATOM 0 HH TYR A 33 5.373 -5.253 -11.928 1.00 0.00 H new