USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 128 hydrogens (4 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 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 30:sc= 0.13 USER MOD Single : A 131 SER OG : rot -21:sc= 0.43 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -2.825 -7.840 -1.052 1.00 0.00 C HETATM 2 O ACE A 127 -3.098 -7.938 0.147 1.00 0.00 O HETATM 3 CH3 ACE A 127 -3.817 -8.314 -2.114 1.00 0.00 C HETATM 0 H1 ACE A 127 -4.093 -7.476 -2.754 1.00 0.00 H new HETATM 0 H2 ACE A 127 -3.357 -9.096 -2.718 1.00 0.00 H new HETATM 0 H3 ACE A 127 -4.709 -8.709 -1.628 1.00 0.00 H new ATOM 7 N LYS A 128 -1.679 -7.322 -1.521 1.00 0.00 N ATOM 8 CA LYS A 128 -0.595 -6.814 -0.634 1.00 0.00 C ATOM 9 C LYS A 128 -0.854 -5.347 -0.166 1.00 0.00 C ATOM 10 O LYS A 128 -1.570 -4.579 -0.819 1.00 0.00 O ATOM 11 CB LYS A 128 0.781 -6.987 -1.359 1.00 0.00 C ATOM 12 CG LYS A 128 1.286 -5.912 -2.357 1.00 0.00 C ATOM 13 CD LYS A 128 0.408 -5.666 -3.605 1.00 0.00 C ATOM 14 CE LYS A 128 0.932 -4.574 -4.560 1.00 0.00 C ATOM 15 NZ LYS A 128 0.853 -3.212 -3.992 1.00 0.00 N ATOM 0 H LYS A 128 -1.469 -7.239 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.578 -7.403 0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 128 1.542 -7.090 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.744 -7.934 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.389 -4.969 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 128 2.283 -6.198 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.318 -6.601 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.595 -5.392 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 128 1.968 -4.793 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.360 -4.607 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.220 -2.526 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -0.138 -2.985 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 1.421 -3.165 -3.122 1.00 0.00 H new ATOM 28 N CYS A 129 -0.207 -4.959 0.951 1.00 0.00 N ATOM 29 CA CYS A 129 -0.186 -3.548 1.414 1.00 0.00 C ATOM 30 C CYS A 129 1.028 -2.846 0.745 1.00 0.00 C ATOM 31 O CYS A 129 0.884 -2.271 -0.338 1.00 0.00 O ATOM 32 CB CYS A 129 -0.248 -3.505 2.962 1.00 0.00 C ATOM 33 SG CYS A 129 -0.651 -1.838 3.519 1.00 0.00 S ATOM 0 H CYS A 129 0.310 -5.600 1.553 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.063 -2.980 1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -0.998 -4.209 3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 129 0.709 -3.816 3.381 1.00 0.00 H new ATOM 38 N THR A 130 2.211 -2.957 1.361 1.00 0.00 N ATOM 39 CA THR A 130 3.489 -2.435 0.802 1.00 0.00 C ATOM 40 C THR A 130 4.293 -3.640 0.244 1.00 0.00 C ATOM 41 O THR A 130 4.696 -4.541 0.989 1.00 0.00 O ATOM 42 CB THR A 130 4.315 -1.625 1.844 1.00 0.00 C ATOM 43 OG1 THR A 130 4.574 -2.388 3.020 1.00 0.00 O ATOM 44 CG2 THR A 130 3.615 -0.321 2.258 1.00 0.00 C ATOM 0 H THR A 130 2.322 -3.412 2.267 1.00 0.00 H new ATOM 0 HA THR A 130 3.267 -1.728 0.003 1.00 0.00 H new ATOM 0 HB THR A 130 5.255 -1.383 1.347 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.620 -3.339 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 130 4.231 0.207 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 130 3.470 0.309 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 130 2.647 -0.553 2.702 1.00 0.00 H new ATOM 52 N SER A 131 4.510 -3.637 -1.082 1.00 0.00 N ATOM 53 CA SER A 131 5.278 -4.706 -1.786 1.00 0.00 C ATOM 54 C SER A 131 6.792 -4.772 -1.398 1.00 0.00 C ATOM 55 O SER A 131 7.270 -5.853 -1.043 1.00 0.00 O ATOM 56 CB SER A 131 5.071 -4.567 -3.315 1.00 0.00 C ATOM 57 OG SER A 131 5.566 -3.336 -3.836 1.00 0.00 O ATOM 0 H SER A 131 4.165 -2.904 -1.702 1.00 0.00 H new ATOM 0 HA SER A 131 4.877 -5.663 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.569 -5.395 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.008 -4.649 -3.541 1.00 0.00 H new ATOM 0 HG SER A 131 5.643 -2.681 -3.111 1.00 0.00 H new ATOM 63 N ASP A 132 7.517 -3.637 -1.441 1.00 0.00 N ATOM 64 CA ASP A 132 8.919 -3.526 -0.964 1.00 0.00 C ATOM 65 C ASP A 132 8.885 -2.543 0.247 1.00 0.00 C ATOM 66 O ASP A 132 8.336 -2.899 1.296 1.00 0.00 O ATOM 67 CB ASP A 132 9.875 -3.245 -2.173 1.00 0.00 C ATOM 68 CG ASP A 132 9.608 -2.011 -3.065 1.00 0.00 C ATOM 69 OD1 ASP A 132 8.678 -1.945 -3.868 1.00 0.00 O ATOM 70 OD2 ASP A 132 10.523 -1.010 -2.860 1.00 0.00 O ATOM 0 H ASP A 132 7.147 -2.761 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 132 9.362 -4.441 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 132 10.887 -3.154 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.861 -4.125 -2.816 1.00 0.00 H new ATOM 76 N GLN A 133 9.465 -1.340 0.117 1.00 0.00 N ATOM 77 CA GLN A 133 9.330 -0.240 1.098 1.00 0.00 C ATOM 78 C GLN A 133 8.602 0.925 0.365 1.00 0.00 C ATOM 79 O GLN A 133 9.235 1.869 -0.120 1.00 0.00 O ATOM 80 CB GLN A 133 10.748 0.097 1.637 1.00 0.00 C ATOM 81 CG GLN A 133 10.750 1.171 2.741 1.00 0.00 C ATOM 82 CD GLN A 133 12.136 1.427 3.353 1.00 0.00 C ATOM 83 OE1 GLN A 133 12.557 0.743 4.286 1.00 0.00 O ATOM 84 NE2 GLN A 133 12.869 2.411 2.852 1.00 0.00 N ATOM 0 H GLN A 133 10.050 -1.096 -0.682 1.00 0.00 H new ATOM 0 HA GLN A 133 8.732 -0.487 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 133 11.205 -0.813 2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 133 11.370 0.438 0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.367 2.104 2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.064 0.867 3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 133 12.510 2.971 2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 133 13.792 2.608 3.240 1.00 0.00 H new ATOM 93 N ASP A 134 7.261 0.831 0.288 1.00 0.00 N ATOM 94 CA ASP A 134 6.415 1.833 -0.421 1.00 0.00 C ATOM 95 C ASP A 134 5.786 2.781 0.637 1.00 0.00 C ATOM 96 O ASP A 134 4.683 2.551 1.144 1.00 0.00 O ATOM 97 CB ASP A 134 5.330 1.120 -1.268 1.00 0.00 C ATOM 98 CG ASP A 134 5.839 0.327 -2.479 1.00 0.00 C ATOM 99 OD1 ASP A 134 5.941 0.802 -3.609 1.00 0.00 O ATOM 100 OD2 ASP A 134 6.163 -0.962 -2.151 1.00 0.00 O ATOM 0 H ASP A 134 6.729 0.069 0.709 1.00 0.00 H new ATOM 0 HA ASP A 134 7.021 2.422 -1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.778 0.440 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.621 1.869 -1.621 1.00 0.00 H new ATOM 106 N GLU A 135 6.516 3.855 0.970 1.00 0.00 N ATOM 107 CA GLU A 135 6.107 4.813 2.040 1.00 0.00 C ATOM 108 C GLU A 135 5.251 5.997 1.500 1.00 0.00 C ATOM 109 O GLU A 135 4.266 6.352 2.155 1.00 0.00 O ATOM 110 CB GLU A 135 7.369 5.299 2.803 1.00 0.00 C ATOM 111 CG GLU A 135 8.100 4.175 3.577 1.00 0.00 C ATOM 112 CD GLU A 135 9.321 4.673 4.352 1.00 0.00 C ATOM 113 OE1 GLU A 135 9.291 4.976 5.544 1.00 0.00 O ATOM 114 OE2 GLU A 135 10.443 4.738 3.565 1.00 0.00 O ATOM 0 H GLU A 135 7.399 4.094 0.519 1.00 0.00 H new ATOM 0 HA GLU A 135 5.453 4.288 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.062 5.748 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.080 6.082 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.402 3.708 4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.414 3.403 2.874 1.00 0.00 H new ATOM 122 N GLN A 136 5.573 6.575 0.320 1.00 0.00 N ATOM 123 CA GLN A 136 4.649 7.506 -0.402 1.00 0.00 C ATOM 124 C GLN A 136 3.593 6.799 -1.335 1.00 0.00 C ATOM 125 O GLN A 136 2.990 7.460 -2.186 1.00 0.00 O ATOM 126 CB GLN A 136 5.516 8.530 -1.194 1.00 0.00 C ATOM 127 CG GLN A 136 6.335 9.520 -0.329 1.00 0.00 C ATOM 128 CD GLN A 136 7.126 10.539 -1.164 1.00 0.00 C ATOM 129 OE1 GLN A 136 6.603 11.578 -1.568 1.00 0.00 O ATOM 130 NE2 GLN A 136 8.395 10.272 -1.439 1.00 0.00 N ATOM 0 H GLN A 136 6.460 6.419 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 136 4.037 8.007 0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.205 7.978 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 136 4.861 9.104 -1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 136 5.660 10.054 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.027 8.958 0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.820 9.409 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.947 10.930 -1.990 1.00 0.00 H new ATOM 139 N PHE A 137 3.319 5.490 -1.142 1.00 0.00 N ATOM 140 CA PHE A 137 2.234 4.758 -1.836 1.00 0.00 C ATOM 141 C PHE A 137 1.753 3.642 -0.875 1.00 0.00 C ATOM 142 O PHE A 137 2.479 2.681 -0.602 1.00 0.00 O ATOM 143 CB PHE A 137 2.701 4.160 -3.201 1.00 0.00 C ATOM 144 CG PHE A 137 1.672 3.252 -3.922 1.00 0.00 C ATOM 145 CD1 PHE A 137 0.551 3.806 -4.551 1.00 0.00 C ATOM 146 CD2 PHE A 137 1.808 1.856 -3.876 1.00 0.00 C ATOM 147 CE1 PHE A 137 -0.400 2.983 -5.149 1.00 0.00 C ATOM 148 CE2 PHE A 137 0.853 1.036 -4.473 1.00 0.00 C ATOM 149 CZ PHE A 137 -0.244 1.601 -5.115 1.00 0.00 C ATOM 0 H PHE A 137 3.849 4.906 -0.495 1.00 0.00 H new ATOM 0 HA PHE A 137 1.422 5.444 -2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 137 2.962 4.982 -3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.611 3.585 -3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 137 0.423 4.878 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.657 1.415 -3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -1.259 3.418 -5.639 1.00 0.00 H new ATOM 0 HE2 PHE A 137 0.964 -0.038 -4.437 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.977 0.965 -5.589 1.00 0.00 H new ATOM 159 N ILE A 138 0.481 3.724 -0.463 1.00 0.00 N ATOM 160 CA ILE A 138 -0.296 2.536 -0.045 1.00 0.00 C ATOM 161 C ILE A 138 -1.477 2.389 -1.092 1.00 0.00 C ATOM 162 O ILE A 138 -1.989 3.404 -1.587 1.00 0.00 O ATOM 163 CB ILE A 138 -0.693 2.545 1.461 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.740 3.609 1.867 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.560 2.637 2.378 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.189 3.150 1.648 1.00 0.00 C ATOM 0 H ILE A 138 -0.038 4.600 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 138 0.306 1.628 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.189 1.586 1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.601 3.862 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.564 4.519 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.247 2.641 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 138 1.207 1.779 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.105 3.555 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.872 3.943 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.343 2.924 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.382 2.257 2.243 1.00 0.00 H new ATOM 178 N PRO A 139 -1.964 1.169 -1.456 1.00 0.00 N ATOM 179 CA PRO A 139 -2.962 0.977 -2.546 1.00 0.00 C ATOM 180 C PRO A 139 -4.447 1.228 -2.131 1.00 0.00 C ATOM 181 O PRO A 139 -4.762 1.474 -0.961 1.00 0.00 O ATOM 182 CB PRO A 139 -2.661 -0.485 -2.950 1.00 0.00 C ATOM 183 CG PRO A 139 -2.190 -1.180 -1.674 1.00 0.00 C ATOM 184 CD PRO A 139 -1.469 -0.091 -0.890 1.00 0.00 C ATOM 0 HA PRO A 139 -2.867 1.700 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -3.550 -0.970 -3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -1.895 -0.527 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -3.030 -1.585 -1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -1.525 -2.014 -1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -1.689 -0.159 0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -0.388 -0.176 -0.998 1.00 0.00 H new ATOM 192 N LYS A 140 -5.358 1.122 -3.122 1.00 0.00 N ATOM 193 CA LYS A 140 -6.827 1.100 -2.878 1.00 0.00 C ATOM 194 C LYS A 140 -7.228 -0.384 -2.603 1.00 0.00 C ATOM 195 O LYS A 140 -7.679 -1.136 -3.473 1.00 0.00 O ATOM 196 CB LYS A 140 -7.558 1.744 -4.085 1.00 0.00 C ATOM 197 CG LYS A 140 -9.069 1.973 -3.856 1.00 0.00 C ATOM 198 CD LYS A 140 -9.776 2.632 -5.055 1.00 0.00 C ATOM 199 CE LYS A 140 -11.280 2.843 -4.800 1.00 0.00 C ATOM 200 NZ LYS A 140 -11.941 3.470 -5.958 1.00 0.00 N ATOM 0 H LYS A 140 -5.105 1.050 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 140 -7.120 1.690 -2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -7.087 2.700 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -7.426 1.106 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -9.546 1.016 -3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -9.205 2.600 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -9.307 3.593 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -9.643 2.010 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.752 1.884 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.416 3.470 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -12.953 3.598 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -11.506 4.396 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -11.831 2.860 -6.793 1.00 0.00 H new ATOM 213 N GLY A 141 -6.987 -0.758 -1.346 1.00 0.00 N ATOM 214 CA GLY A 141 -6.999 -2.164 -0.892 1.00 0.00 C ATOM 215 C GLY A 141 -6.622 -2.292 0.596 1.00 0.00 C ATOM 216 O GLY A 141 -7.394 -2.827 1.396 1.00 0.00 O ATOM 0 H GLY A 141 -6.775 -0.094 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.990 -2.589 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.301 -2.746 -1.494 1.00 0.00 H new ATOM 220 N CYS A 142 -5.431 -1.776 0.944 1.00 0.00 N ATOM 221 CA CYS A 142 -4.944 -1.667 2.348 1.00 0.00 C ATOM 222 C CYS A 142 -5.806 -0.697 3.211 1.00 0.00 C ATOM 223 O CYS A 142 -6.455 -1.123 4.170 1.00 0.00 O ATOM 224 CB CYS A 142 -3.450 -1.264 2.306 1.00 0.00 C ATOM 225 SG CYS A 142 -2.624 -1.713 3.842 1.00 0.00 S ATOM 0 H CYS A 142 -4.766 -1.417 0.259 1.00 0.00 H new ATOM 0 HA CYS A 142 -5.046 -2.632 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.959 -1.756 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.363 -0.190 2.141 1.00 0.00 H new ATOM 230 N SER A 143 -5.820 0.582 2.814 1.00 0.00 N ATOM 231 CA SER A 143 -6.729 1.617 3.364 1.00 0.00 C ATOM 232 C SER A 143 -7.275 2.425 2.155 1.00 0.00 C ATOM 233 O SER A 143 -6.519 3.097 1.443 1.00 0.00 O ATOM 234 CB SER A 143 -5.982 2.503 4.386 1.00 0.00 C ATOM 235 OG SER A 143 -6.869 3.446 4.976 1.00 0.00 O ATOM 0 H SER A 143 -5.195 0.940 2.092 1.00 0.00 H new ATOM 0 HA SER A 143 -7.562 1.174 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 143 -5.539 1.878 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 143 -5.163 3.026 3.892 1.00 0.00 H new ATOM 0 HG SER A 143 -6.379 3.997 5.621 1.00 0.00 H new ATOM 241 N LYS A 144 -8.601 2.347 1.937 1.00 0.00 N ATOM 242 CA LYS A 144 -9.273 3.002 0.782 1.00 0.00 C ATOM 243 C LYS A 144 -9.660 4.454 1.145 1.00 0.00 C ATOM 244 O LYS A 144 -9.167 5.434 0.587 1.00 0.00 O ATOM 245 CB LYS A 144 -10.505 2.184 0.318 1.00 0.00 C ATOM 246 CG LYS A 144 -10.158 0.813 -0.304 1.00 0.00 C ATOM 247 CD LYS A 144 -11.368 0.133 -0.962 1.00 0.00 C ATOM 248 CE LYS A 144 -11.022 -1.241 -1.562 1.00 0.00 C ATOM 249 NZ LYS A 144 -12.198 -1.868 -2.189 1.00 0.00 N ATOM 0 H LYS A 144 -9.238 1.835 2.546 1.00 0.00 H new ATOM 0 HA LYS A 144 -8.575 3.036 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -11.165 2.027 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.063 2.771 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -9.373 0.945 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.757 0.159 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -12.159 0.013 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -11.761 0.779 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -10.231 -1.127 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -10.634 -1.894 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -11.930 -2.792 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -12.943 -1.999 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -12.552 -1.256 -2.952 1.00 0.00 H new TER 262 LYS A 144 HETATM 263 O OH A 145 -10.597 4.532 2.149 1.00 0.00 O