USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=9 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+ 167:sc=-0.00109 (180deg=-0.0529) USER MOD Single : A 10 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.3!) USER MOD Single : A 15 GLN : amide:sc= -6.39! C(o=-6.4!,f=-6.2!) 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= -1.92 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.1 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= -0.177 (180deg=-0.717) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0914 USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= -0.0237 (180deg=-0.0776) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 16 N CYS A 2 2.362 -1.245 -3.201 1.00 0.00 N ATOM 17 CA CYS A 2 2.092 -2.346 -4.119 1.00 0.00 C ATOM 18 C CYS A 2 2.846 -3.603 -3.697 1.00 0.00 C ATOM 19 O CYS A 2 4.054 -3.565 -3.454 1.00 0.00 O ATOM 20 CB CYS A 2 2.486 -1.956 -5.545 1.00 0.00 C ATOM 21 SG CYS A 2 2.114 -0.225 -5.972 1.00 0.00 S ATOM 0 HA CYS A 2 1.023 -2.558 -4.089 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.554 -2.130 -5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.968 -2.611 -6.246 1.00 0.00 H new ATOM 26 N LEU A 3 2.127 -4.717 -3.611 1.00 0.00 N ATOM 27 CA LEU A 3 2.727 -5.987 -3.219 1.00 0.00 C ATOM 28 C LEU A 3 2.785 -6.950 -4.400 1.00 0.00 C ATOM 29 O LEU A 3 1.861 -7.733 -4.620 1.00 0.00 O ATOM 30 CB LEU A 3 1.934 -6.616 -2.072 1.00 0.00 C ATOM 31 CG LEU A 3 1.103 -5.652 -1.224 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.107 -6.364 -0.640 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.953 -5.047 -0.117 1.00 0.00 C ATOM 0 H LEU A 3 1.127 -4.766 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 3 3.745 -5.791 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.266 -7.370 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.632 -7.136 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 3 0.750 -4.845 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.687 -5.663 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.728 -6.749 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.225 -7.191 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.345 -4.364 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.336 -5.842 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.788 -4.501 -0.556 1.00 0.00 H new ATOM 45 N GLU A 4 3.877 -6.888 -5.156 1.00 0.00 N ATOM 46 CA GLU A 4 4.054 -7.756 -6.314 1.00 0.00 C ATOM 47 C GLU A 4 4.819 -9.020 -5.934 1.00 0.00 C ATOM 48 O GLU A 4 4.779 -10.021 -6.650 1.00 0.00 O ATOM 49 CB GLU A 4 4.796 -7.013 -7.427 1.00 0.00 C ATOM 50 CG GLU A 4 6.273 -6.804 -7.141 1.00 0.00 C ATOM 51 CD GLU A 4 6.727 -5.384 -7.419 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.148 -4.742 -8.319 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.661 -4.916 -6.735 1.00 0.00 O ATOM 0 H GLU A 4 4.652 -6.246 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 4 3.067 -8.044 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.690 -7.571 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.324 -6.043 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.475 -7.048 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.858 -7.494 -7.749 1.00 0.00 H new ATOM 60 N ILE A 5 5.516 -8.966 -4.804 1.00 0.00 N ATOM 61 CA ILE A 5 6.290 -10.106 -4.328 1.00 0.00 C ATOM 62 C ILE A 5 5.385 -11.164 -3.706 1.00 0.00 C ATOM 63 O ILE A 5 5.782 -12.317 -3.542 1.00 0.00 O ATOM 64 CB ILE A 5 7.346 -9.677 -3.293 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.126 -10.895 -2.793 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.684 -8.951 -2.131 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.721 -11.730 -3.905 1.00 0.00 C ATOM 0 H ILE A 5 5.561 -8.145 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 5 6.795 -10.529 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 5 8.046 -8.993 -3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.927 -10.558 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.463 -11.520 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.443 -8.654 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.169 -8.064 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.964 -9.614 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.259 -12.576 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.923 -12.097 -4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.410 -11.120 -4.489 1.00 0.00 H new ATOM 79 N PHE A 6 4.165 -10.763 -3.364 1.00 0.00 N ATOM 80 CA PHE A 6 3.202 -11.677 -2.760 1.00 0.00 C ATOM 81 C PHE A 6 3.018 -11.372 -1.276 1.00 0.00 C ATOM 82 O PHE A 6 2.742 -12.265 -0.476 1.00 0.00 O ATOM 83 CB PHE A 6 3.659 -13.126 -2.941 1.00 0.00 C ATOM 84 CG PHE A 6 4.454 -13.653 -1.781 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.361 -12.841 -1.120 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.295 -14.961 -1.352 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.095 -13.324 -0.054 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.025 -15.449 -0.285 1.00 0.00 C ATOM 89 CZ PHE A 6 5.926 -14.629 0.365 1.00 0.00 C ATOM 0 H PHE A 6 3.820 -9.812 -3.495 1.00 0.00 H new ATOM 0 HA PHE A 6 2.245 -11.539 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.784 -13.759 -3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.261 -13.198 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.496 -11.819 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.592 -15.607 -1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.801 -12.681 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.891 -16.470 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.498 -15.008 1.200 1.00 0.00 H new ATOM 99 N LYS A 7 3.174 -10.102 -0.916 1.00 0.00 N ATOM 100 CA LYS A 7 3.025 -9.676 0.470 1.00 0.00 C ATOM 101 C LYS A 7 1.553 -9.612 0.865 1.00 0.00 C ATOM 102 O LYS A 7 0.709 -9.175 0.083 1.00 0.00 O ATOM 103 CB LYS A 7 3.679 -8.308 0.678 1.00 0.00 C ATOM 104 CG LYS A 7 4.230 -8.104 2.078 1.00 0.00 C ATOM 105 CD LYS A 7 3.193 -7.486 3.001 1.00 0.00 C ATOM 106 CE LYS A 7 3.807 -6.417 3.892 1.00 0.00 C ATOM 107 NZ LYS A 7 4.142 -5.183 3.129 1.00 0.00 N ATOM 0 H LYS A 7 3.404 -9.350 -1.566 1.00 0.00 H new ATOM 0 HA LYS A 7 3.522 -10.410 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.488 -8.188 -0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.946 -7.529 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.556 -9.061 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.109 -7.461 2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.390 -7.049 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.745 -8.264 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.112 -6.170 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.709 -6.810 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.348 -4.410 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.976 -5.359 2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.336 -4.917 2.528 1.00 0.00 H new ATOM 121 N ALA A 8 1.252 -10.049 2.083 1.00 0.00 N ATOM 122 CA ALA A 8 -0.117 -10.038 2.583 1.00 0.00 C ATOM 123 C ALA A 8 -0.807 -8.716 2.264 1.00 0.00 C ATOM 124 O ALA A 8 -0.408 -7.661 2.757 1.00 0.00 O ATOM 125 CB ALA A 8 -0.135 -10.296 4.082 1.00 0.00 C ATOM 0 H ALA A 8 1.939 -10.415 2.742 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.666 -10.835 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.164 -10.285 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.311 -11.269 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.435 -9.520 4.592 1.00 0.00 H new ATOM 131 N CYS A 9 -1.844 -8.780 1.435 1.00 0.00 N ATOM 132 CA CYS A 9 -2.589 -7.588 1.048 1.00 0.00 C ATOM 133 C CYS A 9 -3.750 -7.338 2.007 1.00 0.00 C ATOM 134 O CYS A 9 -4.313 -8.274 2.574 1.00 0.00 O ATOM 135 CB CYS A 9 -3.115 -7.731 -0.381 1.00 0.00 C ATOM 136 SG CYS A 9 -4.930 -7.841 -0.498 1.00 0.00 S ATOM 0 H CYS A 9 -2.187 -9.645 1.018 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.912 -6.735 1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.775 -6.879 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.678 -8.623 -0.830 1.00 0.00 H new ATOM 141 N ASN A 10 -4.103 -6.068 2.181 1.00 0.00 N ATOM 142 CA ASN A 10 -5.196 -5.695 3.071 1.00 0.00 C ATOM 143 C ASN A 10 -6.523 -5.663 2.318 1.00 0.00 C ATOM 144 O ASN A 10 -6.579 -5.389 1.119 1.00 0.00 O ATOM 145 CB ASN A 10 -4.923 -4.329 3.703 1.00 0.00 C ATOM 146 CG ASN A 10 -4.122 -4.435 4.986 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.281 -5.385 5.754 1.00 0.00 O ATOM 148 ND2 ASN A 10 -3.254 -3.458 5.225 1.00 0.00 N ATOM 0 H ASN A 10 -3.648 -5.281 1.718 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.263 -6.446 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.383 -3.704 2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.871 -3.831 3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.687 -3.476 6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.155 -2.690 4.561 1.00 0.00 H new ATOM 155 N PRO A 11 -7.619 -5.948 3.038 1.00 0.00 N ATOM 156 CA PRO A 11 -8.965 -5.958 2.459 1.00 0.00 C ATOM 157 C PRO A 11 -9.450 -4.559 2.096 1.00 0.00 C ATOM 158 O PRO A 11 -9.992 -4.341 1.012 1.00 0.00 O ATOM 159 CB PRO A 11 -9.828 -6.549 3.578 1.00 0.00 C ATOM 160 CG PRO A 11 -9.086 -6.239 4.832 1.00 0.00 C ATOM 161 CD PRO A 11 -7.627 -6.284 4.472 1.00 0.00 C ATOM 0 HA PRO A 11 -9.004 -6.523 1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.823 -6.105 3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.959 -7.624 3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.363 -5.257 5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.318 -6.964 5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.047 -5.569 5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.198 -7.269 4.656 1.00 0.00 H new ATOM 169 N SER A 12 -9.251 -3.613 3.008 1.00 0.00 N ATOM 170 CA SER A 12 -9.671 -2.234 2.784 1.00 0.00 C ATOM 171 C SER A 12 -8.489 -1.369 2.358 1.00 0.00 C ATOM 172 O SER A 12 -8.580 -0.603 1.400 1.00 0.00 O ATOM 173 CB SER A 12 -10.307 -1.660 4.052 1.00 0.00 C ATOM 174 OG SER A 12 -11.083 -0.512 3.758 1.00 0.00 O ATOM 0 H SER A 12 -8.802 -3.776 3.909 1.00 0.00 H new ATOM 0 HA SER A 12 -10.409 -2.230 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.935 -2.417 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.528 -1.402 4.769 1.00 0.00 H new ATOM 0 HG SER A 12 -11.480 -0.165 4.584 1.00 0.00 H new ATOM 180 N ASN A 13 -7.379 -1.497 3.078 1.00 0.00 N ATOM 181 CA ASN A 13 -6.178 -0.727 2.776 1.00 0.00 C ATOM 182 C ASN A 13 -5.584 -1.149 1.436 1.00 0.00 C ATOM 183 O ASN A 13 -4.757 -2.058 1.371 1.00 0.00 O ATOM 184 CB ASN A 13 -5.140 -0.905 3.886 1.00 0.00 C ATOM 185 CG ASN A 13 -5.189 0.213 4.909 1.00 0.00 C ATOM 186 OD1 ASN A 13 -6.047 1.093 4.842 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.267 0.183 5.863 1.00 0.00 N ATOM 0 H ASN A 13 -7.286 -2.127 3.875 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.457 0.325 2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.307 -1.859 4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.144 -0.947 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.251 0.909 6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.575 -0.566 5.880 1.00 0.00 H new ATOM 194 N ASP A 14 -6.011 -0.482 0.369 1.00 0.00 N ATOM 195 CA ASP A 14 -5.521 -0.786 -0.970 1.00 0.00 C ATOM 196 C ASP A 14 -3.996 -0.784 -1.003 1.00 0.00 C ATOM 197 O ASP A 14 -3.364 0.255 -0.810 1.00 0.00 O ATOM 198 CB ASP A 14 -6.067 0.225 -1.978 1.00 0.00 C ATOM 199 CG ASP A 14 -6.207 -0.361 -3.369 1.00 0.00 C ATOM 200 OD1 ASP A 14 -5.222 -0.942 -3.870 1.00 0.00 O ATOM 201 OD2 ASP A 14 -7.303 -0.240 -3.956 1.00 0.00 O ATOM 0 H ASP A 14 -6.696 0.273 0.406 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.871 -1.782 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.039 0.583 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.404 1.089 -2.016 1.00 0.00 H new ATOM 206 N GLN A 15 -3.412 -1.952 -1.249 1.00 0.00 N ATOM 207 CA GLN A 15 -1.961 -2.084 -1.306 1.00 0.00 C ATOM 208 C GLN A 15 -1.488 -2.273 -2.744 1.00 0.00 C ATOM 209 O GLN A 15 -0.787 -1.423 -3.295 1.00 0.00 O ATOM 210 CB GLN A 15 -1.501 -3.262 -0.446 1.00 0.00 C ATOM 211 CG GLN A 15 -1.502 -2.963 1.045 1.00 0.00 C ATOM 212 CD GLN A 15 -0.458 -3.761 1.800 1.00 0.00 C ATOM 213 OE1 GLN A 15 0.701 -3.356 1.895 1.00 0.00 O ATOM 214 NE2 GLN A 15 -0.863 -4.903 2.344 1.00 0.00 N ATOM 0 H GLN A 15 -3.921 -2.821 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.522 -1.166 -0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.150 -4.116 -0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.495 -3.552 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.322 -1.899 1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.488 -3.182 1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.833 -5.201 2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.204 -5.482 2.865 1.00 0.00 H new ATOM 223 N CYS A 16 -1.874 -3.393 -3.346 1.00 0.00 N ATOM 224 CA CYS A 16 -1.489 -3.695 -4.719 1.00 0.00 C ATOM 225 C CYS A 16 -1.560 -2.445 -5.592 1.00 0.00 C ATOM 226 O CYS A 16 -2.366 -1.547 -5.346 1.00 0.00 O ATOM 227 CB CYS A 16 -2.394 -4.785 -5.297 1.00 0.00 C ATOM 228 SG CYS A 16 -2.861 -6.075 -4.099 1.00 0.00 S ATOM 0 H CYS A 16 -2.453 -4.107 -2.904 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.460 -4.053 -4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.300 -4.321 -5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.887 -5.254 -6.141 1.00 0.00 H new ATOM 233 N CYS A 17 -0.710 -2.393 -6.612 1.00 0.00 N ATOM 234 CA CYS A 17 -0.674 -1.254 -7.521 1.00 0.00 C ATOM 235 C CYS A 17 -1.924 -1.218 -8.397 1.00 0.00 C ATOM 236 O CYS A 17 -2.847 -2.011 -8.213 1.00 0.00 O ATOM 237 CB CYS A 17 0.576 -1.316 -8.401 1.00 0.00 C ATOM 238 SG CYS A 17 1.862 -0.106 -7.953 1.00 0.00 S ATOM 0 H CYS A 17 -0.036 -3.127 -6.830 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.644 -0.344 -6.922 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.999 -2.319 -8.342 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.285 -1.153 -9.439 1.00 0.00 H new ATOM 243 N LYS A 18 -1.946 -0.291 -9.349 1.00 0.00 N ATOM 244 CA LYS A 18 -3.080 -0.151 -10.254 1.00 0.00 C ATOM 245 C LYS A 18 -2.829 -0.898 -11.560 1.00 0.00 C ATOM 246 O LYS A 18 -3.340 -1.999 -11.765 1.00 0.00 O ATOM 247 CB LYS A 18 -3.348 1.328 -10.543 1.00 0.00 C ATOM 248 CG LYS A 18 -4.520 1.897 -9.764 1.00 0.00 C ATOM 249 CD LYS A 18 -4.339 1.708 -8.267 1.00 0.00 C ATOM 250 CE LYS A 18 -5.400 0.783 -7.690 1.00 0.00 C ATOM 251 NZ LYS A 18 -6.493 1.541 -7.022 1.00 0.00 N ATOM 0 H LYS A 18 -1.191 0.375 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.955 -0.585 -9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.453 1.903 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.536 1.453 -11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.626 2.959 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.441 1.411 -10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.349 1.297 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.388 2.676 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.819 0.169 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.939 0.104 -6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.196 0.875 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.098 2.108 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.951 2.171 -7.712 1.00 0.00 H new ATOM 265 N SER A 19 -2.038 -0.292 -12.441 1.00 0.00 N ATOM 266 CA SER A 19 -1.722 -0.899 -13.728 1.00 0.00 C ATOM 267 C SER A 19 -1.051 -2.256 -13.538 1.00 0.00 C ATOM 268 O SER A 19 -1.060 -3.097 -14.438 1.00 0.00 O ATOM 269 CB SER A 19 -0.812 0.023 -14.541 1.00 0.00 C ATOM 270 OG SER A 19 -0.326 -0.631 -15.700 1.00 0.00 O ATOM 0 H SER A 19 -1.605 0.618 -12.286 1.00 0.00 H new ATOM 0 HA SER A 19 -2.655 -1.047 -14.271 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.361 0.919 -14.829 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.026 0.347 -13.924 1.00 0.00 H new ATOM 0 HG SER A 19 0.252 -0.020 -16.203 1.00 0.00 H new ATOM 276 N SER A 20 -0.469 -2.462 -12.362 1.00 0.00 N ATOM 277 CA SER A 20 0.211 -3.715 -12.054 1.00 0.00 C ATOM 278 C SER A 20 -0.763 -4.888 -12.102 1.00 0.00 C ATOM 279 O SER A 20 -1.956 -4.731 -11.841 1.00 0.00 O ATOM 280 CB SER A 20 0.866 -3.638 -10.673 1.00 0.00 C ATOM 281 OG SER A 20 1.721 -2.512 -10.576 1.00 0.00 O ATOM 0 H SER A 20 -0.454 -1.777 -11.606 1.00 0.00 H new ATOM 0 HA SER A 20 0.983 -3.875 -12.807 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.095 -3.581 -9.904 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.436 -4.548 -10.486 1.00 0.00 H new ATOM 0 HG SER A 20 2.405 -2.678 -9.894 1.00 0.00 H new ATOM 287 N LYS A 21 -0.246 -6.064 -12.439 1.00 0.00 N ATOM 288 CA LYS A 21 -1.068 -7.266 -12.522 1.00 0.00 C ATOM 289 C LYS A 21 -1.165 -7.953 -11.163 1.00 0.00 C ATOM 290 O LYS A 21 -2.074 -8.748 -10.922 1.00 0.00 O ATOM 291 CB LYS A 21 -0.488 -8.235 -13.555 1.00 0.00 C ATOM 292 CG LYS A 21 -1.130 -8.118 -14.926 1.00 0.00 C ATOM 293 CD LYS A 21 -0.321 -7.219 -15.846 1.00 0.00 C ATOM 294 CE LYS A 21 -0.811 -5.780 -15.793 1.00 0.00 C ATOM 295 NZ LYS A 21 -0.509 -5.044 -17.051 1.00 0.00 N ATOM 0 H LYS A 21 0.739 -6.211 -12.659 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.070 -6.970 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.583 -8.055 -13.648 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.610 -9.256 -13.192 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.221 -9.109 -15.372 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.140 -7.721 -14.823 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.730 -7.257 -15.561 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.388 -7.589 -16.869 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.886 -5.769 -15.615 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.344 -5.268 -14.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.859 -4.068 -16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.519 -5.032 -17.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.976 -5.517 -17.851 1.00 0.00 H new ATOM 309 N LEU A 22 -0.224 -7.641 -10.279 1.00 0.00 N ATOM 310 CA LEU A 22 -0.204 -8.228 -8.943 1.00 0.00 C ATOM 311 C LEU A 22 -1.617 -8.344 -8.379 1.00 0.00 C ATOM 312 O LEU A 22 -2.231 -7.345 -8.005 1.00 0.00 O ATOM 313 CB LEU A 22 0.663 -7.384 -8.007 1.00 0.00 C ATOM 314 CG LEU A 22 1.203 -6.077 -8.589 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.439 -5.059 -7.484 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.487 -6.330 -9.367 1.00 0.00 C ATOM 0 H LEU A 22 0.535 -6.985 -10.463 1.00 0.00 H new ATOM 0 HA LEU A 22 0.221 -9.229 -9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.079 -7.148 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.508 -7.990 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 22 0.460 -5.672 -9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.823 -4.135 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.500 -4.856 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.164 -5.455 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.857 -5.389 -9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.237 -6.758 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.287 -7.025 -10.183 1.00 0.00 H new ATOM 328 N VAL A 23 -2.125 -9.570 -8.319 1.00 0.00 N ATOM 329 CA VAL A 23 -3.464 -9.818 -7.797 1.00 0.00 C ATOM 330 C VAL A 23 -3.408 -10.342 -6.366 1.00 0.00 C ATOM 331 O VAL A 23 -2.489 -11.074 -5.997 1.00 0.00 O ATOM 332 CB VAL A 23 -4.230 -10.828 -8.672 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.511 -12.168 -8.695 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.659 -10.988 -8.175 1.00 0.00 C ATOM 0 H VAL A 23 -1.630 -10.408 -8.625 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.991 -8.864 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.266 -10.445 -9.692 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.067 -12.869 -9.318 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.509 -12.036 -9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.441 -12.561 -7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.185 -11.705 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.648 -11.348 -7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.169 -10.025 -8.217 1.00 0.00 H new ATOM 344 N CYS A 24 -4.397 -9.964 -5.564 1.00 0.00 N ATOM 345 CA CYS A 24 -4.462 -10.395 -4.173 1.00 0.00 C ATOM 346 C CYS A 24 -5.748 -11.171 -3.903 1.00 0.00 C ATOM 347 O CYS A 24 -5.786 -12.050 -3.042 1.00 0.00 O ATOM 348 CB CYS A 24 -4.376 -9.187 -3.238 1.00 0.00 C ATOM 349 SG CYS A 24 -5.402 -9.333 -1.739 1.00 0.00 S ATOM 0 H CYS A 24 -5.166 -9.359 -5.854 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.615 -11.054 -3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.337 -9.044 -2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.677 -8.294 -3.786 1.00 0.00 H new ATOM 354 N SER A 25 -6.799 -10.840 -4.646 1.00 0.00 N ATOM 355 CA SER A 25 -8.088 -11.503 -4.485 1.00 0.00 C ATOM 356 C SER A 25 -8.050 -12.913 -5.067 1.00 0.00 C ATOM 357 O SER A 25 -8.329 -13.890 -4.372 1.00 0.00 O ATOM 358 CB SER A 25 -9.192 -10.689 -5.163 1.00 0.00 C ATOM 359 OG SER A 25 -8.885 -10.448 -6.525 1.00 0.00 O ATOM 0 H SER A 25 -6.783 -10.117 -5.365 1.00 0.00 H new ATOM 0 HA SER A 25 -8.302 -11.574 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.139 -11.223 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.320 -9.740 -4.642 1.00 0.00 H new ATOM 0 HG SER A 25 -9.607 -9.928 -6.936 1.00 0.00 H new ATOM 365 N ARG A 26 -7.703 -13.009 -6.346 1.00 0.00 N ATOM 366 CA ARG A 26 -7.630 -14.298 -7.023 1.00 0.00 C ATOM 367 C ARG A 26 -6.873 -15.315 -6.174 1.00 0.00 C ATOM 368 O ARG A 26 -7.389 -16.389 -5.864 1.00 0.00 O ATOM 369 CB ARG A 26 -6.948 -14.146 -8.384 1.00 0.00 C ATOM 370 CG ARG A 26 -7.833 -13.504 -9.440 1.00 0.00 C ATOM 371 CD ARG A 26 -7.154 -13.488 -10.801 1.00 0.00 C ATOM 372 NE ARG A 26 -7.814 -12.575 -11.730 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.688 -12.653 -13.050 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.933 -13.598 -13.593 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.320 -11.785 -13.831 1.00 0.00 N ATOM 0 H ARG A 26 -7.468 -12.210 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.647 -14.660 -7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.046 -13.546 -8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.633 -15.129 -8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.774 -14.049 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.076 -12.484 -9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.111 -13.194 -10.683 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.156 -14.495 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.404 -11.837 -11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.447 -14.268 -12.997 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.838 -13.655 -14.607 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.903 -11.057 -13.417 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.222 -11.846 -14.845 1.00 0.00 H new ATOM 389 N LYS A 27 -5.645 -14.970 -5.801 1.00 0.00 N ATOM 390 CA LYS A 27 -4.816 -15.852 -4.988 1.00 0.00 C ATOM 391 C LYS A 27 -4.984 -15.540 -3.504 1.00 0.00 C ATOM 392 O LYS A 27 -5.896 -14.812 -3.111 1.00 0.00 O ATOM 393 CB LYS A 27 -3.344 -15.712 -5.385 1.00 0.00 C ATOM 394 CG LYS A 27 -2.636 -17.043 -5.572 1.00 0.00 C ATOM 395 CD LYS A 27 -2.679 -17.498 -7.021 1.00 0.00 C ATOM 396 CE LYS A 27 -4.024 -18.116 -7.372 1.00 0.00 C ATOM 397 NZ LYS A 27 -4.319 -19.313 -6.537 1.00 0.00 N ATOM 0 H LYS A 27 -5.202 -14.085 -6.049 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.138 -16.878 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.279 -15.142 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.823 -15.137 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.599 -16.953 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.103 -17.797 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.486 -16.648 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.886 -18.224 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.811 -17.375 -7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.031 -18.397 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.979 -19.936 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.436 -19.828 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.748 -19.012 -5.639 1.00 0.00 H new ATOM 411 N THR A 28 -4.098 -16.096 -2.683 1.00 0.00 N ATOM 412 CA THR A 28 -4.148 -15.877 -1.243 1.00 0.00 C ATOM 413 C THR A 28 -4.221 -14.390 -0.915 1.00 0.00 C ATOM 414 O THR A 28 -4.083 -13.543 -1.797 1.00 0.00 O ATOM 415 CB THR A 28 -2.921 -16.487 -0.539 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.332 -17.496 -1.367 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.310 -17.088 0.803 1.00 0.00 C ATOM 0 H THR A 28 -3.337 -16.701 -2.991 1.00 0.00 H new ATOM 0 HA THR A 28 -5.049 -16.371 -0.879 1.00 0.00 H new ATOM 0 HB THR A 28 -2.196 -15.691 -0.366 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.552 -17.877 -0.913 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.427 -17.513 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.730 -16.311 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.052 -17.872 0.649 1.00 0.00 H new ATOM 425 N ARG A 29 -4.440 -14.080 0.359 1.00 0.00 N ATOM 426 CA ARG A 29 -4.532 -12.695 0.803 1.00 0.00 C ATOM 427 C ARG A 29 -3.341 -11.883 0.303 1.00 0.00 C ATOM 428 O ARG A 29 -3.409 -10.658 0.204 1.00 0.00 O ATOM 429 CB ARG A 29 -4.602 -12.630 2.330 1.00 0.00 C ATOM 430 CG ARG A 29 -5.683 -13.516 2.928 1.00 0.00 C ATOM 431 CD ARG A 29 -7.051 -13.194 2.348 1.00 0.00 C ATOM 432 NE ARG A 29 -8.132 -13.562 3.258 1.00 0.00 N ATOM 433 CZ ARG A 29 -8.564 -14.807 3.422 1.00 0.00 C ATOM 434 NH1 ARG A 29 -8.008 -15.800 2.740 1.00 0.00 N ATOM 435 NH2 ARG A 29 -9.552 -15.062 4.269 1.00 0.00 N ATOM 0 H ARG A 29 -4.557 -14.770 1.101 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.443 -12.266 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.636 -12.921 2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.780 -11.598 2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.443 -14.562 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.705 -13.385 4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.110 -12.128 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.177 -13.722 1.403 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.580 -12.822 3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.247 -15.608 2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.341 -16.756 2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.981 -14.301 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.883 -16.019 4.394 1.00 0.00 H new ATOM 449 N ALA A 30 -2.250 -12.575 -0.010 1.00 0.00 N ATOM 450 CA ALA A 30 -1.044 -11.919 -0.501 1.00 0.00 C ATOM 451 C ALA A 30 -1.205 -11.493 -1.957 1.00 0.00 C ATOM 452 O ALA A 30 -1.851 -12.180 -2.748 1.00 0.00 O ATOM 453 CB ALA A 30 0.157 -12.839 -0.348 1.00 0.00 C ATOM 0 H ALA A 30 -2.177 -13.589 0.068 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.879 -11.022 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.050 -12.336 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.292 -13.089 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.009 -13.752 -0.920 1.00 0.00 H new ATOM 459 N CYS A 31 -0.614 -10.354 -2.304 1.00 0.00 N ATOM 460 CA CYS A 31 -0.693 -9.835 -3.664 1.00 0.00 C ATOM 461 C CYS A 31 0.585 -10.145 -4.439 1.00 0.00 C ATOM 462 O CYS A 31 1.676 -9.723 -4.055 1.00 0.00 O ATOM 463 CB CYS A 31 -0.935 -8.325 -3.642 1.00 0.00 C ATOM 464 SG CYS A 31 -2.110 -7.742 -4.907 1.00 0.00 S ATOM 0 H CYS A 31 -0.075 -9.773 -1.662 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.529 -10.323 -4.165 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.307 -8.042 -2.657 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.017 -7.813 -3.782 1.00 0.00 H new ATOM 469 N LYS A 32 0.441 -10.886 -5.532 1.00 0.00 N ATOM 470 CA LYS A 32 1.582 -11.252 -6.364 1.00 0.00 C ATOM 471 C LYS A 32 1.199 -11.259 -7.840 1.00 0.00 C ATOM 472 O LYS A 32 0.050 -11.526 -8.192 1.00 0.00 O ATOM 473 CB LYS A 32 2.114 -12.629 -5.958 1.00 0.00 C ATOM 474 CG LYS A 32 1.356 -13.784 -6.588 1.00 0.00 C ATOM 475 CD LYS A 32 1.245 -14.963 -5.636 1.00 0.00 C ATOM 476 CE LYS A 32 2.369 -15.964 -5.855 1.00 0.00 C ATOM 477 NZ LYS A 32 3.547 -15.672 -4.992 1.00 0.00 N ATOM 0 H LYS A 32 -0.454 -11.245 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 32 2.364 -10.508 -6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.165 -12.700 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.066 -12.722 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.358 -13.452 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.863 -14.098 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.271 -14.605 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.284 -15.457 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.006 -16.970 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.672 -15.946 -6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.257 -16.423 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.961 -14.759 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.247 -15.630 -3.997 1.00 0.00 H new ATOM 491 N TYR A 33 2.169 -10.966 -8.699 1.00 0.00 N ATOM 492 CA TYR A 33 1.933 -10.938 -10.138 1.00 0.00 C ATOM 493 C TYR A 33 1.192 -12.191 -10.593 1.00 0.00 C ATOM 494 O TYR A 33 1.573 -13.310 -10.250 1.00 0.00 O ATOM 495 CB TYR A 33 3.258 -10.814 -10.891 1.00 0.00 C ATOM 496 CG TYR A 33 3.577 -9.402 -11.328 1.00 0.00 C ATOM 497 CD1 TYR A 33 2.800 -8.757 -12.283 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.655 -8.712 -10.786 1.00 0.00 C ATOM 499 CE1 TYR A 33 3.087 -7.467 -12.685 1.00 0.00 C ATOM 500 CE2 TYR A 33 4.948 -7.422 -11.182 1.00 0.00 C ATOM 501 CZ TYR A 33 4.162 -6.804 -12.131 1.00 0.00 C ATOM 502 OH TYR A 33 4.452 -5.519 -12.529 1.00 0.00 O ATOM 0 H TYR A 33 3.126 -10.745 -8.424 1.00 0.00 H new ATOM 0 HA TYR A 33 1.313 -10.070 -10.362 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.064 -11.179 -10.254 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.229 -11.459 -11.769 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.957 -9.273 -12.718 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.274 -9.193 -10.043 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.473 -6.981 -13.429 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.789 -6.900 -10.750 1.00 0.00 H new ATOM 0 HH TYR A 33 5.239 -5.195 -12.042 1.00 0.00 H new