USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 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 Set 1.1: A 49 GLN : amide:sc= -3.8! C(o=-4.2!,f=-4.8!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -132:sc= -0.415 (180deg=-2.44!) USER MOD Single : A 30 THR OG1 : rot 28:sc= 0.23 USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= -0.0297 (180deg=-0.623) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -4.04! C(o=-4!,f=-9!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 30 -7.194 -10.092 6.999 1.00 50.00 N ATOM 34 CA THR A 30 -6.459 -11.004 6.075 1.00 50.00 C ATOM 35 C THR A 30 -6.235 -10.322 4.721 1.00 50.00 C ATOM 36 O THR A 30 -5.475 -10.791 3.897 1.00 50.00 O ATOM 37 CB THR A 30 -7.367 -12.225 5.923 1.00 0.00 C ATOM 38 OG1 THR A 30 -7.602 -12.799 7.200 1.00 0.00 O ATOM 39 CG2 THR A 30 -6.696 -13.256 5.013 1.00 0.00 C ATOM 0 HA THR A 30 -5.474 -11.274 6.456 1.00 50.00 H new ATOM 0 HB THR A 30 -8.315 -11.919 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.535 -12.104 7.888 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.346 -14.125 4.907 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.517 -12.814 4.033 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.746 -13.564 5.451 1.00 0.00 H new ATOM 47 N CYS A 31 -6.887 -9.217 4.486 1.00 50.00 N ATOM 48 CA CYS A 31 -6.705 -8.507 3.186 1.00 50.00 C ATOM 49 C CYS A 31 -7.047 -9.437 2.017 1.00 50.00 C ATOM 50 O CYS A 31 -6.648 -9.206 0.892 1.00 50.00 O ATOM 51 CB CYS A 31 -5.223 -8.130 3.145 1.00 0.00 C ATOM 52 SG CYS A 31 -4.803 -7.128 4.583 1.00 0.00 S ATOM 0 H CYS A 31 -7.537 -8.775 5.136 1.00 50.00 H new ATOM 0 HA CYS A 31 -7.355 -7.636 3.101 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -4.610 -9.031 3.128 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.005 -7.578 2.231 1.00 0.00 H new ATOM 57 N LEU A 32 -7.778 -10.488 2.272 1.00 50.00 N ATOM 58 CA LEU A 32 -8.136 -11.431 1.172 1.00 50.00 C ATOM 59 C LEU A 32 -9.181 -10.805 0.243 1.00 50.00 C ATOM 60 O LEU A 32 -9.207 -11.067 -0.943 1.00 50.00 O ATOM 61 CB LEU A 32 -8.710 -12.661 1.876 1.00 0.00 C ATOM 62 CG LEU A 32 -9.161 -13.681 0.830 1.00 0.00 C ATOM 63 CD1 LEU A 32 -7.932 -14.315 0.175 1.00 0.00 C ATOM 64 CD2 LEU A 32 -9.997 -14.769 1.505 1.00 0.00 C ATOM 0 H LEU A 32 -8.143 -10.735 3.192 1.00 50.00 H new ATOM 0 HA LEU A 32 -7.276 -11.679 0.550 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.959 -13.103 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.552 -12.373 2.506 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.762 -13.181 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.252 -15.042 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.336 -13.540 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.332 -14.815 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.318 -15.496 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.397 -15.270 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.872 -14.318 1.973 1.00 0.00 H new ATOM 76 N LYS A 33 -10.044 -9.982 0.770 1.00 50.00 N ATOM 77 CA LYS A 33 -11.087 -9.344 -0.087 1.00 50.00 C ATOM 78 C LYS A 33 -10.452 -8.290 -0.997 1.00 50.00 C ATOM 79 O LYS A 33 -10.797 -8.162 -2.155 1.00 50.00 O ATOM 80 CB LYS A 33 -12.062 -8.691 0.893 1.00 0.00 C ATOM 81 CG LYS A 33 -12.876 -9.774 1.605 1.00 0.00 C ATOM 82 CD LYS A 33 -13.906 -9.115 2.526 1.00 0.00 C ATOM 83 CE LYS A 33 -14.770 -10.194 3.183 1.00 0.00 C ATOM 84 NZ LYS A 33 -15.653 -10.695 2.092 1.00 0.00 N ATOM 0 H LYS A 33 -10.074 -9.723 1.756 1.00 50.00 H new ATOM 0 HA LYS A 33 -11.585 -10.064 -0.736 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -11.515 -8.094 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.728 -8.012 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.379 -10.406 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.215 -10.419 2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.401 -8.524 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.533 -8.430 1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.156 -10.996 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.354 -9.785 4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.644 -10.664 2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.538 -10.096 1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.394 -11.675 1.858 1.00 0.00 H new ATOM 98 N SER A 34 -9.523 -7.538 -0.478 1.00 50.00 N ATOM 99 CA SER A 34 -8.859 -6.489 -1.305 1.00 50.00 C ATOM 100 C SER A 34 -7.930 -7.138 -2.335 1.00 50.00 C ATOM 101 O SER A 34 -7.635 -6.567 -3.367 1.00 50.00 O ATOM 102 CB SER A 34 -8.055 -5.652 -0.311 1.00 0.00 C ATOM 103 OG SER A 34 -8.943 -5.002 0.588 1.00 0.00 O ATOM 0 H SER A 34 -9.193 -7.603 0.485 1.00 50.00 H new ATOM 0 HA SER A 34 -9.576 -5.885 -1.860 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.363 -6.288 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.454 -4.914 -0.843 1.00 0.00 H new ATOM 0 HG SER A 34 -8.428 -4.466 1.227 1.00 0.00 H new ATOM 109 N GLY A 35 -7.466 -8.327 -2.063 1.00 50.00 N ATOM 110 CA GLY A 35 -6.555 -9.012 -3.023 1.00 50.00 C ATOM 111 C GLY A 35 -5.160 -8.389 -2.936 1.00 50.00 C ATOM 112 O GLY A 35 -4.331 -8.574 -3.805 1.00 50.00 O ATOM 0 H GLY A 35 -7.679 -8.854 -1.216 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -6.504 -10.077 -2.796 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.943 -8.921 -4.037 1.00 50.00 H new ATOM 116 N ALA A 36 -4.894 -7.653 -1.891 1.00 50.00 N ATOM 117 CA ALA A 36 -3.551 -7.020 -1.747 1.00 50.00 C ATOM 118 C ALA A 36 -2.560 -8.023 -1.152 1.00 50.00 C ATOM 119 O ALA A 36 -2.916 -9.134 -0.812 1.00 50.00 O ATOM 120 CB ALA A 36 -3.765 -5.846 -0.791 1.00 0.00 C ATOM 0 H ALA A 36 -5.548 -7.463 -1.131 1.00 50.00 H new ATOM 0 HA ALA A 36 -3.142 -6.695 -2.703 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -2.819 -5.328 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.491 -5.155 -1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.138 -6.217 0.163 1.00 0.00 H new ATOM 126 N ILE A 37 -1.318 -7.643 -1.022 1.00 50.00 N ATOM 127 CA ILE A 37 -0.311 -8.582 -0.450 1.00 50.00 C ATOM 128 C ILE A 37 0.253 -8.027 0.860 1.00 50.00 C ATOM 129 O ILE A 37 0.331 -6.831 1.059 1.00 50.00 O ATOM 130 CB ILE A 37 0.790 -8.677 -1.508 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.461 -7.310 -1.676 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.179 -9.113 -2.841 1.00 0.00 C ATOM 133 CD1 ILE A 37 2.958 -7.502 -1.927 1.00 0.00 C ATOM 0 H ILE A 37 -0.958 -6.726 -1.286 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.743 -9.556 -0.220 1.00 50.00 H new ATOM 0 HB ILE A 37 1.534 -9.408 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.008 -6.771 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.306 -6.705 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.963 -9.181 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.296 -10.087 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.566 -8.382 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.435 -6.529 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.405 -8.024 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.102 -8.090 -2.833 1.00 0.00 H new ATOM 145 N CYS A 38 0.655 -8.888 1.754 1.00 50.00 N ATOM 146 CA CYS A 38 1.224 -8.410 3.044 1.00 50.00 C ATOM 147 C CYS A 38 2.742 -8.269 2.907 1.00 50.00 C ATOM 148 O CYS A 38 3.400 -9.106 2.323 1.00 50.00 O ATOM 149 CB CYS A 38 0.861 -9.492 4.062 1.00 0.00 C ATOM 150 SG CYS A 38 -0.934 -9.734 4.055 1.00 0.00 S ATOM 0 H CYS A 38 0.614 -9.901 1.646 1.00 50.00 H new ATOM 0 HA CYS A 38 0.837 -7.437 3.346 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.367 -10.425 3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.197 -9.200 5.057 1.00 0.00 H new ATOM 155 N HIS A 39 3.304 -7.211 3.423 1.00 50.00 N ATOM 156 CA HIS A 39 4.777 -7.021 3.298 1.00 50.00 C ATOM 157 C HIS A 39 5.464 -7.204 4.652 1.00 50.00 C ATOM 158 O HIS A 39 4.939 -6.813 5.676 1.00 50.00 O ATOM 159 CB HIS A 39 4.951 -5.585 2.804 1.00 0.00 C ATOM 160 CG HIS A 39 6.391 -5.351 2.446 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.316 -4.883 3.367 1.00 0.00 N ATOM 162 CD2 HIS A 39 7.082 -5.516 1.272 1.00 0.00 C ATOM 163 CE1 HIS A 39 8.500 -4.784 2.737 1.00 0.00 C ATOM 164 NE2 HIS A 39 8.414 -5.158 1.458 1.00 0.00 N ATOM 0 H HIS A 39 2.810 -6.473 3.924 1.00 50.00 H new ATOM 0 HA HIS A 39 5.224 -7.748 2.620 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.316 -5.408 1.936 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.638 -4.883 3.577 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.132 -4.655 4.344 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.657 -5.870 0.344 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.410 -4.443 3.208 1.00 0.00 H new ATOM 172 N PRO A 40 6.628 -7.793 4.603 1.00 50.00 N ATOM 173 CA PRO A 40 7.415 -8.033 5.835 1.00 50.00 C ATOM 174 C PRO A 40 8.012 -6.721 6.348 1.00 50.00 C ATOM 175 O PRO A 40 8.065 -5.733 5.643 1.00 50.00 O ATOM 176 CB PRO A 40 8.516 -8.984 5.377 1.00 0.00 C ATOM 177 CG PRO A 40 8.660 -8.730 3.910 1.00 0.00 C ATOM 178 CD PRO A 40 7.311 -8.287 3.402 1.00 0.00 C ATOM 0 HA PRO A 40 6.819 -8.439 6.652 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.450 -8.790 5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.248 -10.022 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.412 -7.964 3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.989 -9.632 3.393 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.405 -7.507 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.766 -9.112 2.943 1.00 0.00 H new ATOM 186 N VAL A 41 8.469 -6.707 7.570 1.00 50.00 N ATOM 187 CA VAL A 41 9.070 -5.465 8.130 1.00 50.00 C ATOM 188 C VAL A 41 8.048 -4.319 8.119 1.00 50.00 C ATOM 189 O VAL A 41 7.389 -4.060 9.106 1.00 50.00 O ATOM 190 CB VAL A 41 10.258 -5.155 7.215 1.00 0.00 C ATOM 191 CG1 VAL A 41 11.052 -3.981 7.789 1.00 0.00 C ATOM 192 CG2 VAL A 41 11.163 -6.385 7.123 1.00 0.00 C ATOM 0 H VAL A 41 8.452 -7.504 8.206 1.00 50.00 H new ATOM 0 HA VAL A 41 9.380 -5.586 9.168 1.00 50.00 H new ATOM 0 HB VAL A 41 9.893 -4.895 6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.898 -3.761 7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.408 -3.104 7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.417 -4.240 8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.009 -6.166 6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 41 11.527 -6.644 8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.598 -7.223 6.714 1.00 0.00 H new ATOM 202 N PHE A 42 7.906 -3.628 7.017 1.00 50.00 N ATOM 203 CA PHE A 42 6.925 -2.504 6.963 1.00 50.00 C ATOM 204 C PHE A 42 6.542 -2.199 5.511 1.00 50.00 C ATOM 205 O PHE A 42 7.230 -2.581 4.585 1.00 50.00 O ATOM 206 CB PHE A 42 7.652 -1.311 7.586 1.00 0.00 C ATOM 207 CG PHE A 42 8.770 -0.866 6.672 1.00 0.00 C ATOM 208 CD1 PHE A 42 8.481 -0.124 5.521 1.00 0.00 C ATOM 209 CD2 PHE A 42 10.096 -1.195 6.978 1.00 0.00 C ATOM 210 CE1 PHE A 42 9.518 0.290 4.676 1.00 0.00 C ATOM 211 CE2 PHE A 42 11.133 -0.782 6.132 1.00 0.00 C ATOM 212 CZ PHE A 42 10.844 -0.039 4.981 1.00 0.00 C ATOM 0 H PHE A 42 8.426 -3.793 6.155 1.00 50.00 H new ATOM 0 HA PHE A 42 6.001 -2.741 7.491 1.00 50.00 H new ATOM 0 HB2 PHE A 42 6.953 -0.491 7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 42 8.053 -1.586 8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.458 0.129 5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.319 -1.767 7.866 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.295 0.863 3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.156 -1.037 6.368 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.644 0.280 4.329 1.00 0.00 H new ATOM 222 N CYS A 43 5.451 -1.512 5.305 1.00 50.00 N ATOM 223 CA CYS A 43 5.027 -1.182 3.914 1.00 50.00 C ATOM 224 C CYS A 43 5.809 0.033 3.400 1.00 50.00 C ATOM 225 O CYS A 43 5.764 1.093 3.992 1.00 50.00 O ATOM 226 CB CYS A 43 3.535 -0.857 4.018 1.00 0.00 C ATOM 227 SG CYS A 43 2.684 -1.447 2.533 1.00 0.00 S ATOM 0 H CYS A 43 4.835 -1.165 6.040 1.00 50.00 H new ATOM 0 HA CYS A 43 5.216 -2.000 3.219 1.00 50.00 H new ATOM 0 HB2 CYS A 43 3.110 -1.328 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.393 0.218 4.129 1.00 0.00 H new ATOM 232 N PRO A 44 6.504 -0.165 2.312 1.00 50.00 N ATOM 233 CA PRO A 44 7.309 0.928 1.712 1.00 50.00 C ATOM 234 C PRO A 44 6.399 1.992 1.100 1.00 50.00 C ATOM 235 O PRO A 44 5.223 2.068 1.396 1.00 50.00 O ATOM 236 CB PRO A 44 8.121 0.224 0.628 1.00 0.00 C ATOM 237 CG PRO A 44 7.316 -0.984 0.281 1.00 0.00 C ATOM 238 CD PRO A 44 6.609 -1.410 1.541 1.00 0.00 C ATOM 0 HA PRO A 44 7.934 1.445 2.440 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.265 0.867 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.112 -0.050 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.598 -0.757 -0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.958 -1.783 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.628 -1.834 1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.174 -2.170 2.081 1.00 0.00 H new ATOM 246 N ARG A 45 6.941 2.813 0.249 1.00 50.00 N ATOM 247 CA ARG A 45 6.119 3.882 -0.389 1.00 50.00 C ATOM 248 C ARG A 45 5.335 3.315 -1.574 1.00 50.00 C ATOM 249 O ARG A 45 4.260 3.780 -1.900 1.00 50.00 O ATOM 250 CB ARG A 45 7.128 4.928 -0.865 1.00 0.00 C ATOM 251 CG ARG A 45 7.912 4.373 -2.054 1.00 0.00 C ATOM 252 CD ARG A 45 9.016 5.358 -2.442 1.00 0.00 C ATOM 253 NE ARG A 45 8.340 6.367 -3.306 1.00 0.00 N ATOM 254 CZ ARG A 45 9.049 7.177 -4.043 1.00 0.00 C ATOM 255 NH1 ARG A 45 10.269 7.482 -3.693 1.00 0.00 N ATOM 256 NH2 ARG A 45 8.538 7.687 -5.130 1.00 0.00 N ATOM 0 H ARG A 45 7.920 2.792 -0.035 1.00 50.00 H new ATOM 0 HA ARG A 45 5.388 4.304 0.300 1.00 50.00 H new ATOM 0 HB2 ARG A 45 6.611 5.844 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.810 5.187 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.346 3.406 -1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.243 4.208 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.458 5.824 -1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.823 4.857 -2.976 1.00 0.00 H new ATOM 0 HE ARG A 45 7.322 6.424 -3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.669 7.087 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.822 8.115 -4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.584 7.452 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.093 8.320 -5.706 1.00 0.00 H new ATOM 270 N ARG A 46 5.863 2.314 -2.220 1.00 50.00 N ATOM 271 CA ARG A 46 5.146 1.718 -3.384 1.00 50.00 C ATOM 272 C ARG A 46 3.888 0.985 -2.910 1.00 50.00 C ATOM 273 O ARG A 46 3.007 0.676 -3.687 1.00 50.00 O ATOM 274 CB ARG A 46 6.142 0.739 -4.005 1.00 0.00 C ATOM 275 CG ARG A 46 7.382 1.504 -4.475 1.00 0.00 C ATOM 276 CD ARG A 46 7.016 2.377 -5.677 1.00 0.00 C ATOM 277 NE ARG A 46 6.693 1.413 -6.766 1.00 0.00 N ATOM 278 CZ ARG A 46 7.601 1.099 -7.649 1.00 0.00 C ATOM 279 NH1 ARG A 46 8.864 1.303 -7.388 1.00 0.00 N ATOM 280 NH2 ARG A 46 7.248 0.578 -8.792 1.00 0.00 N ATOM 0 H ARG A 46 6.759 1.882 -1.994 1.00 50.00 H new ATOM 0 HA ARG A 46 4.820 2.472 -4.101 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.425 -0.021 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.682 0.219 -4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.769 2.124 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.173 0.805 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.165 3.020 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.843 3.029 -5.959 1.00 0.00 H new ATOM 0 HE ARG A 46 5.763 0.999 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.141 1.708 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.574 1.057 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.262 0.416 -8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.958 0.333 -9.482 1.00 0.00 H new ATOM 294 N TYR A 47 3.799 0.705 -1.637 1.00 50.00 N ATOM 295 CA TYR A 47 2.598 -0.009 -1.110 1.00 50.00 C ATOM 296 C TYR A 47 1.928 0.818 -0.007 1.00 50.00 C ATOM 297 O TYR A 47 2.576 1.561 0.704 1.00 50.00 O ATOM 298 CB TYR A 47 3.140 -1.319 -0.540 1.00 0.00 C ATOM 299 CG TYR A 47 3.597 -2.215 -1.670 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.854 -2.018 -2.255 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.764 -3.242 -2.131 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.278 -2.849 -3.299 1.00 0.00 C ATOM 303 CE2 TYR A 47 3.188 -4.072 -3.174 1.00 0.00 C ATOM 304 CZ TYR A 47 4.445 -3.876 -3.758 1.00 0.00 C ATOM 305 OH TYR A 47 4.864 -4.695 -4.788 1.00 0.00 O ATOM 0 H TYR A 47 4.505 0.939 -0.939 1.00 50.00 H new ATOM 0 HA TYR A 47 1.846 -0.176 -1.881 1.00 50.00 H new ATOM 0 HB2 TYR A 47 3.971 -1.117 0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.368 -1.820 0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.496 -1.225 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.794 -3.393 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.248 -2.698 -3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.545 -4.864 -3.529 1.00 0.00 H new ATOM 0 HH TYR A 47 4.168 -5.356 -4.984 1.00 0.00 H new ATOM 315 N LYS A 48 0.638 0.691 0.141 1.00 50.00 N ATOM 316 CA LYS A 48 -0.075 1.466 1.198 1.00 50.00 C ATOM 317 C LYS A 48 -0.573 0.526 2.298 1.00 50.00 C ATOM 318 O LYS A 48 -0.805 -0.645 2.070 1.00 50.00 O ATOM 319 CB LYS A 48 -1.255 2.126 0.484 1.00 0.00 C ATOM 320 CG LYS A 48 -1.979 3.062 1.456 1.00 0.00 C ATOM 321 CD LYS A 48 -1.058 4.227 1.824 1.00 0.00 C ATOM 322 CE LYS A 48 -1.834 5.250 2.659 1.00 0.00 C ATOM 323 NZ LYS A 48 -0.795 6.167 3.202 1.00 0.00 N ATOM 0 H LYS A 48 0.045 0.083 -0.425 1.00 50.00 H new ATOM 0 HA LYS A 48 0.573 2.201 1.676 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -0.903 2.685 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.942 1.365 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.895 3.438 1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.270 2.517 2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.198 3.861 2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.671 4.698 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.558 5.790 2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.391 4.765 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.248 6.898 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.124 5.626 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.286 6.619 2.416 1.00 0.00 H new ATOM 337 N GLN A 49 -0.739 1.029 3.491 1.00 50.00 N ATOM 338 CA GLN A 49 -1.225 0.166 4.607 1.00 50.00 C ATOM 339 C GLN A 49 -2.755 0.170 4.644 1.00 50.00 C ATOM 340 O GLN A 49 -3.374 1.156 4.992 1.00 50.00 O ATOM 341 CB GLN A 49 -0.653 0.803 5.874 1.00 0.00 C ATOM 342 CG GLN A 49 -1.077 -0.013 7.095 1.00 0.00 C ATOM 343 CD GLN A 49 -0.679 0.736 8.369 1.00 0.00 C ATOM 344 OE1 GLN A 49 0.317 1.432 8.391 1.00 0.00 O ATOM 345 NE2 GLN A 49 -1.419 0.623 9.437 1.00 0.00 N ATOM 0 H GLN A 49 -0.559 2.001 3.742 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.913 -0.873 4.498 1.00 50.00 H new ATOM 0 HB2 GLN A 49 0.434 0.846 5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.008 1.829 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.154 -0.179 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.603 -0.994 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.255 0.039 9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.162 1.119 10.290 1.00 0.00 H new ATOM 354 N ILE A 50 -3.371 -0.922 4.279 1.00 50.00 N ATOM 355 CA ILE A 50 -4.864 -0.971 4.285 1.00 50.00 C ATOM 356 C ILE A 50 -5.382 -1.774 5.485 1.00 50.00 C ATOM 357 O ILE A 50 -6.552 -2.094 5.566 1.00 50.00 O ATOM 358 CB ILE A 50 -5.238 -1.664 2.977 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.609 -3.058 2.940 1.00 0.00 C ATOM 360 CG2 ILE A 50 -4.719 -0.841 1.796 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.237 -3.871 1.807 1.00 0.00 C ATOM 0 H ILE A 50 -2.908 -1.780 3.978 1.00 50.00 H new ATOM 0 HA ILE A 50 -5.303 0.023 4.368 1.00 50.00 H new ATOM 0 HB ILE A 50 -6.322 -1.752 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.532 -2.979 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.763 -3.564 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.986 -1.336 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.166 0.153 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.635 -0.753 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.789 -4.864 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.310 -3.961 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.060 -3.368 0.857 1.00 0.00 H new ATOM 373 N GLY A 51 -4.529 -2.103 6.418 1.00 50.00 N ATOM 374 CA GLY A 51 -4.987 -2.882 7.604 1.00 50.00 C ATOM 375 C GLY A 51 -4.050 -4.073 7.824 1.00 50.00 C ATOM 376 O GLY A 51 -3.998 -4.980 7.020 1.00 50.00 O ATOM 0 H GLY A 51 -3.537 -1.866 6.410 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -4.998 -2.245 8.489 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -6.008 -3.232 7.451 1.00 50.00 H new ATOM 380 N THR A 52 -3.312 -4.062 8.907 1.00 50.00 N ATOM 381 CA THR A 52 -2.356 -5.176 9.211 1.00 50.00 C ATOM 382 C THR A 52 -2.838 -6.510 8.627 1.00 50.00 C ATOM 383 O THR A 52 -4.011 -6.827 8.656 1.00 50.00 O ATOM 384 CB THR A 52 -2.317 -5.250 10.738 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.617 -5.544 11.230 1.00 0.00 O ATOM 386 CG2 THR A 52 -1.845 -3.909 11.303 1.00 0.00 C ATOM 0 H THR A 52 -3.331 -3.318 9.604 1.00 50.00 H new ATOM 0 HA THR A 52 -1.376 -4.991 8.772 1.00 50.00 H new ATOM 0 HB THR A 52 -1.626 -6.035 11.047 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.593 -5.593 12.208 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.817 -3.962 12.391 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.847 -3.686 10.925 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.534 -3.122 10.996 1.00 0.00 H new ATOM 394 N CYS A 53 -1.934 -7.292 8.096 1.00 50.00 N ATOM 395 CA CYS A 53 -2.324 -8.607 7.508 1.00 50.00 C ATOM 396 C CYS A 53 -2.981 -9.486 8.570 1.00 50.00 C ATOM 397 O CYS A 53 -4.045 -10.038 8.369 1.00 50.00 O ATOM 398 CB CYS A 53 -1.007 -9.226 7.039 1.00 0.00 C ATOM 399 SG CYS A 53 -1.343 -10.555 5.857 1.00 0.00 S ATOM 0 H CYS A 53 -0.939 -7.075 8.044 1.00 50.00 H new ATOM 0 HA CYS A 53 -3.043 -8.504 6.695 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.381 -8.464 6.575 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.454 -9.617 7.893 1.00 0.00 H new ATOM 404 N GLY A 54 -2.349 -9.620 9.698 1.00 50.00 N ATOM 405 CA GLY A 54 -2.920 -10.463 10.787 1.00 50.00 C ATOM 406 C GLY A 54 -1.982 -10.418 11.993 1.00 50.00 C ATOM 407 O GLY A 54 -2.411 -10.351 13.127 1.00 50.00 O ATOM 0 H GLY A 54 -1.455 -9.180 9.917 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -3.909 -10.100 11.065 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.043 -11.490 10.443 1.00 50.00 H new ATOM 411 N LEU A 55 -0.700 -10.449 11.751 1.00 50.00 N ATOM 412 CA LEU A 55 0.278 -10.401 12.876 1.00 50.00 C ATOM 413 C LEU A 55 1.283 -9.269 12.643 1.00 50.00 C ATOM 414 O LEU A 55 1.394 -8.757 11.546 1.00 50.00 O ATOM 415 CB LEU A 55 0.980 -11.760 12.850 1.00 0.00 C ATOM 416 CG LEU A 55 -0.061 -12.874 12.971 1.00 0.00 C ATOM 417 CD1 LEU A 55 0.621 -14.233 12.784 1.00 0.00 C ATOM 418 CD2 LEU A 55 -0.711 -12.816 14.355 1.00 0.00 C ATOM 0 H LEU A 55 -0.286 -10.506 10.820 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.200 -10.212 13.837 1.00 50.00 H new ATOM 0 HB2 LEU A 55 1.543 -11.873 11.923 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.697 -11.827 13.669 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.825 -12.742 12.205 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.121 -15.027 12.870 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.085 -14.275 11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.385 -14.365 13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.453 -13.610 14.442 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.053 -12.948 15.121 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.196 -11.849 14.489 1.00 0.00 H new ATOM 430 N PRO A 56 1.980 -8.914 13.687 1.00 50.00 N ATOM 431 CA PRO A 56 2.987 -7.828 13.594 1.00 50.00 C ATOM 432 C PRO A 56 4.205 -8.291 12.786 1.00 50.00 C ATOM 433 O PRO A 56 5.086 -7.514 12.474 1.00 50.00 O ATOM 434 CB PRO A 56 3.360 -7.564 15.051 1.00 0.00 C ATOM 435 CG PRO A 56 3.052 -8.842 15.766 1.00 0.00 C ATOM 436 CD PRO A 56 1.900 -9.484 15.036 1.00 0.00 C ATOM 0 HA PRO A 56 2.615 -6.938 13.087 1.00 50.00 H new ATOM 0 HB2 PRO A 56 4.413 -7.301 15.148 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.786 -6.734 15.461 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.921 -9.500 15.772 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.791 -8.649 16.807 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.993 -10.570 15.018 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.947 -9.254 15.512 1.00 0.00 H new ATOM 444 N GLY A 57 4.257 -9.548 12.442 1.00 50.00 N ATOM 445 CA GLY A 57 5.413 -10.059 11.651 1.00 50.00 C ATOM 446 C GLY A 57 5.355 -9.471 10.240 1.00 50.00 C ATOM 447 O GLY A 57 6.365 -9.139 9.652 1.00 50.00 O ATOM 0 H GLY A 57 3.549 -10.244 12.674 1.00 50.00 H new ATOM 0 HA2 GLY A 57 6.350 -9.784 12.135 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.385 -11.148 11.606 1.00 50.00 H new ATOM 451 N THR A 58 4.178 -9.336 9.695 1.00 50.00 N ATOM 452 CA THR A 58 4.048 -8.765 8.324 1.00 50.00 C ATOM 453 C THR A 58 3.013 -7.640 8.322 1.00 50.00 C ATOM 454 O THR A 58 2.179 -7.546 9.200 1.00 50.00 O ATOM 455 CB THR A 58 3.574 -9.926 7.451 1.00 0.00 C ATOM 456 OG1 THR A 58 4.164 -11.135 7.907 1.00 0.00 O ATOM 457 CG2 THR A 58 3.980 -9.671 6.000 1.00 0.00 C ATOM 0 H THR A 58 3.298 -9.597 10.140 1.00 50.00 H new ATOM 0 HA THR A 58 4.985 -8.341 7.963 1.00 50.00 H new ATOM 0 HB THR A 58 2.489 -10.009 7.514 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.858 -11.879 7.348 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.642 -10.499 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.523 -8.745 5.652 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.065 -9.587 5.935 1.00 0.00 H new ATOM 465 N LYS A 59 3.059 -6.784 7.340 1.00 50.00 N ATOM 466 CA LYS A 59 2.076 -5.666 7.280 1.00 50.00 C ATOM 467 C LYS A 59 1.291 -5.730 5.969 1.00 50.00 C ATOM 468 O LYS A 59 1.860 -5.790 4.897 1.00 50.00 O ATOM 469 CB LYS A 59 2.918 -4.393 7.342 1.00 0.00 C ATOM 470 CG LYS A 59 1.999 -3.175 7.441 1.00 0.00 C ATOM 471 CD LYS A 59 1.446 -3.068 8.864 1.00 0.00 C ATOM 472 CE LYS A 59 0.493 -1.873 8.956 1.00 0.00 C ATOM 473 NZ LYS A 59 0.412 -1.547 10.412 1.00 0.00 N ATOM 0 H LYS A 59 3.735 -6.810 6.576 1.00 50.00 H new ATOM 0 HA LYS A 59 1.348 -5.709 8.090 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.586 -4.428 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.546 -4.316 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.549 -2.269 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.180 -3.265 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.922 -3.986 9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.264 -2.950 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.868 -1.025 8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.489 -2.121 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.585 -1.435 10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.840 -2.317 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.924 -0.661 10.598 1.00 0.00 H new ATOM 487 N CYS A 60 -0.011 -5.719 6.043 1.00 50.00 N ATOM 488 CA CYS A 60 -0.826 -5.780 4.796 1.00 50.00 C ATOM 489 C CYS A 60 -0.452 -4.625 3.868 1.00 50.00 C ATOM 490 O CYS A 60 -0.331 -3.492 4.288 1.00 50.00 O ATOM 491 CB CYS A 60 -2.276 -5.646 5.261 1.00 0.00 C ATOM 492 SG CYS A 60 -3.387 -5.892 3.863 1.00 0.00 S ATOM 0 H CYS A 60 -0.545 -5.671 6.910 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.662 -6.703 4.240 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.488 -6.379 6.040 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.438 -4.661 5.698 1.00 0.00 H new ATOM 497 N CYS A 61 -0.268 -4.903 2.610 1.00 50.00 N ATOM 498 CA CYS A 61 0.099 -3.822 1.655 1.00 50.00 C ATOM 499 C CYS A 61 -0.705 -3.972 0.361 1.00 50.00 C ATOM 500 O CYS A 61 -1.041 -5.066 -0.046 1.00 50.00 O ATOM 501 CB CYS A 61 1.590 -4.025 1.387 1.00 0.00 C ATOM 502 SG CYS A 61 2.547 -3.441 2.808 1.00 0.00 S ATOM 0 H CYS A 61 -0.356 -5.833 2.200 1.00 50.00 H new ATOM 0 HA CYS A 61 -0.113 -2.828 2.049 1.00 50.00 H new ATOM 0 HB2 CYS A 61 1.797 -5.080 1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.886 -3.483 0.489 1.00 0.00 H new ATOM 507 N LYS A 62 -1.015 -2.886 -0.288 1.00 50.00 N ATOM 508 CA LYS A 62 -1.796 -2.978 -1.554 1.00 50.00 C ATOM 509 C LYS A 62 -1.096 -2.200 -2.671 1.00 50.00 C ATOM 510 O LYS A 62 -0.691 -1.069 -2.493 1.00 50.00 O ATOM 511 CB LYS A 62 -3.152 -2.352 -1.232 1.00 0.00 C ATOM 512 CG LYS A 62 -4.071 -2.490 -2.446 1.00 0.00 C ATOM 513 CD LYS A 62 -5.425 -1.850 -2.135 1.00 0.00 C ATOM 514 CE LYS A 62 -6.354 -2.014 -3.339 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.504 -1.108 -3.058 1.00 0.00 N ATOM 0 H LYS A 62 -0.763 -1.941 0.001 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.895 -4.007 -1.901 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.597 -2.844 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.028 -1.301 -0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.620 -2.009 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.203 -3.542 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.867 -2.317 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.295 -0.793 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.852 -1.740 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.682 -3.048 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.188 -1.163 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.966 -1.398 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.161 -0.130 -2.966 1.00 0.00 H new ATOM 529 N LYS A 63 -0.953 -2.798 -3.822 1.00 50.00 N ATOM 530 CA LYS A 63 -0.282 -2.093 -4.951 1.00 50.00 C ATOM 531 C LYS A 63 -1.199 -1.004 -5.514 1.00 50.00 C ATOM 532 O LYS A 63 -2.407 -1.101 -5.422 1.00 50.00 O ATOM 533 CB LYS A 63 -0.028 -3.176 -6.001 1.00 0.00 C ATOM 534 CG LYS A 63 0.967 -4.197 -5.446 1.00 0.00 C ATOM 535 CD LYS A 63 1.359 -5.181 -6.549 1.00 0.00 C ATOM 536 CE LYS A 63 2.291 -4.488 -7.543 1.00 0.00 C ATOM 537 NZ LYS A 63 2.490 -5.479 -8.637 1.00 0.00 N ATOM 0 H LYS A 63 -1.272 -3.744 -4.030 1.00 50.00 H new ATOM 0 HA LYS A 63 0.641 -1.602 -4.641 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -0.964 -3.669 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.364 -2.728 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.853 -3.688 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.524 -4.733 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.853 -6.051 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.468 -5.543 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.850 -3.566 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.238 -4.220 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.120 -5.076 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.917 -6.344 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.572 -5.710 -9.068 1.00 0.00 H new