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 180:sc= 0 USER MOD Single : A 131 SER OG : rot 41:sc= 0.304 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 -1.361 -0.094 5.764 1.00 0.00 C HETATM 2 O ACE A 127 -1.045 0.348 4.656 1.00 0.00 O HETATM 3 CH3 ACE A 127 -2.532 0.515 6.534 1.00 0.00 C HETATM 0 H1 ACE A 127 -3.288 -0.250 6.712 1.00 0.00 H new HETATM 0 H2 ACE A 127 -2.177 0.903 7.489 1.00 0.00 H new HETATM 0 H3 ACE A 127 -2.968 1.327 5.951 1.00 0.00 H new ATOM 7 N LYS A 128 -0.735 -1.117 6.370 1.00 0.00 N ATOM 8 CA LYS A 128 0.431 -1.820 5.768 1.00 0.00 C ATOM 9 C LYS A 128 -0.068 -2.958 4.833 1.00 0.00 C ATOM 10 O LYS A 128 -0.894 -3.794 5.218 1.00 0.00 O ATOM 11 CB LYS A 128 1.367 -2.396 6.868 1.00 0.00 C ATOM 12 CG LYS A 128 2.369 -1.398 7.492 1.00 0.00 C ATOM 13 CD LYS A 128 1.777 -0.411 8.525 1.00 0.00 C ATOM 14 CE LYS A 128 2.813 0.489 9.227 1.00 0.00 C ATOM 15 NZ LYS A 128 3.399 1.510 8.336 1.00 0.00 N ATOM 0 H LYS A 128 -1.012 -1.483 7.281 1.00 0.00 H new ATOM 0 HA LYS A 128 1.005 -1.100 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 128 0.748 -2.807 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 128 1.929 -3.227 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 128 3.166 -1.965 7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 128 2.828 -0.822 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 128 1.046 0.223 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 128 1.238 -0.980 9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.339 0.985 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 128 3.612 -0.134 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 4.087 2.081 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 3.879 1.042 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 2.645 2.127 7.971 1.00 0.00 H new ATOM 28 N CYS A 129 0.462 -2.954 3.599 1.00 0.00 N ATOM 29 CA CYS A 129 0.040 -3.888 2.522 1.00 0.00 C ATOM 30 C CYS A 129 1.229 -4.811 2.152 1.00 0.00 C ATOM 31 O CYS A 129 1.276 -5.959 2.604 1.00 0.00 O ATOM 32 CB CYS A 129 -0.583 -3.066 1.370 1.00 0.00 C ATOM 33 SG CYS A 129 -1.921 -2.047 2.022 1.00 0.00 S ATOM 0 H CYS A 129 1.196 -2.306 3.312 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.747 -4.573 2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.176 -2.437 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -0.962 -3.733 0.596 1.00 0.00 H new ATOM 38 N THR A 130 2.181 -4.299 1.357 1.00 0.00 N ATOM 39 CA THR A 130 3.433 -5.015 0.994 1.00 0.00 C ATOM 40 C THR A 130 4.554 -3.940 0.862 1.00 0.00 C ATOM 41 O THR A 130 4.484 -3.030 0.028 1.00 0.00 O ATOM 42 CB THR A 130 3.267 -5.934 -0.254 1.00 0.00 C ATOM 43 OG1 THR A 130 4.436 -6.737 -0.386 1.00 0.00 O ATOM 44 CG2 THR A 130 3.037 -5.231 -1.601 1.00 0.00 C ATOM 0 H THR A 130 2.112 -3.371 0.940 1.00 0.00 H new ATOM 0 HA THR A 130 3.712 -5.723 1.775 1.00 0.00 H new ATOM 0 HB THR A 130 2.357 -6.500 -0.057 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.345 -7.322 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 130 2.937 -5.978 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 130 2.126 -4.634 -1.549 1.00 0.00 H new ATOM 0 HG23 THR A 130 3.884 -4.582 -1.822 1.00 0.00 H new ATOM 52 N SER A 131 5.570 -4.053 1.730 1.00 0.00 N ATOM 53 CA SER A 131 6.730 -3.124 1.752 1.00 0.00 C ATOM 54 C SER A 131 7.889 -3.715 0.901 1.00 0.00 C ATOM 55 O SER A 131 8.689 -4.528 1.377 1.00 0.00 O ATOM 56 CB SER A 131 7.134 -2.826 3.218 1.00 0.00 C ATOM 57 OG SER A 131 7.498 -3.997 3.945 1.00 0.00 O ATOM 0 H SER A 131 5.619 -4.786 2.438 1.00 0.00 H new ATOM 0 HA SER A 131 6.464 -2.168 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 131 7.970 -2.127 3.224 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.304 -2.334 3.725 1.00 0.00 H new ATOM 0 HG SER A 131 8.031 -4.586 3.371 1.00 0.00 H new ATOM 63 N ASP A 132 7.943 -3.303 -0.378 1.00 0.00 N ATOM 64 CA ASP A 132 8.993 -3.738 -1.335 1.00 0.00 C ATOM 65 C ASP A 132 9.382 -2.456 -2.122 1.00 0.00 C ATOM 66 O ASP A 132 10.143 -1.637 -1.594 1.00 0.00 O ATOM 67 CB ASP A 132 8.488 -4.988 -2.121 1.00 0.00 C ATOM 68 CG ASP A 132 9.553 -5.647 -3.008 1.00 0.00 C ATOM 69 OD1 ASP A 132 10.438 -6.380 -2.570 1.00 0.00 O ATOM 70 OD2 ASP A 132 9.401 -5.323 -4.333 1.00 0.00 O ATOM 0 H ASP A 132 7.263 -2.659 -0.784 1.00 0.00 H new ATOM 0 HA ASP A 132 9.919 -4.114 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 132 8.117 -5.725 -1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 132 7.643 -4.694 -2.744 1.00 0.00 H new ATOM 76 N GLN A 133 8.848 -2.267 -3.340 1.00 0.00 N ATOM 77 CA GLN A 133 8.974 -1.000 -4.108 1.00 0.00 C ATOM 78 C GLN A 133 7.581 -0.291 -4.246 1.00 0.00 C ATOM 79 O GLN A 133 7.162 0.089 -5.343 1.00 0.00 O ATOM 80 CB GLN A 133 9.660 -1.376 -5.455 1.00 0.00 C ATOM 81 CG GLN A 133 10.225 -0.169 -6.229 1.00 0.00 C ATOM 82 CD GLN A 133 10.890 -0.558 -7.559 1.00 0.00 C ATOM 83 OE1 GLN A 133 10.224 -0.726 -8.581 1.00 0.00 O ATOM 84 NE2 GLN A 133 12.206 -0.706 -7.581 1.00 0.00 N ATOM 0 H GLN A 133 8.314 -2.986 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 133 9.590 -0.257 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 133 10.470 -2.078 -5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 133 8.938 -1.894 -6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.418 0.537 -6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.954 0.346 -5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 133 12.749 -0.565 -6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 133 12.676 -0.961 -8.450 1.00 0.00 H new ATOM 93 N ASP A 134 6.875 -0.091 -3.111 1.00 0.00 N ATOM 94 CA ASP A 134 5.572 0.626 -3.042 1.00 0.00 C ATOM 95 C ASP A 134 5.324 1.079 -1.569 1.00 0.00 C ATOM 96 O ASP A 134 4.363 0.673 -0.909 1.00 0.00 O ATOM 97 CB ASP A 134 4.429 -0.243 -3.649 1.00 0.00 C ATOM 98 CG ASP A 134 4.051 -1.573 -2.968 1.00 0.00 C ATOM 99 OD1 ASP A 134 3.039 -1.717 -2.282 1.00 0.00 O ATOM 100 OD2 ASP A 134 4.963 -2.566 -3.219 1.00 0.00 O ATOM 0 H ASP A 134 7.194 -0.426 -2.202 1.00 0.00 H new ATOM 0 HA ASP A 134 5.592 1.528 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 134 3.531 0.374 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.701 -0.468 -4.680 1.00 0.00 H new ATOM 106 N GLU A 135 6.206 1.947 -1.050 1.00 0.00 N ATOM 107 CA GLU A 135 6.275 2.247 0.409 1.00 0.00 C ATOM 108 C GLU A 135 5.672 3.635 0.765 1.00 0.00 C ATOM 109 O GLU A 135 4.929 3.717 1.747 1.00 0.00 O ATOM 110 CB GLU A 135 7.742 2.077 0.881 1.00 0.00 C ATOM 111 CG GLU A 135 8.297 0.637 0.717 1.00 0.00 C ATOM 112 CD GLU A 135 9.686 0.441 1.324 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.729 0.565 0.682 1.00 0.00 O ATOM 114 OE2 GLU A 135 9.629 0.106 2.653 1.00 0.00 O ATOM 0 H GLU A 135 6.887 2.460 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 135 5.651 1.537 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.375 2.765 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.810 2.364 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.605 -0.065 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.336 0.391 -0.344 1.00 0.00 H new ATOM 122 N GLN A 136 5.915 4.693 -0.042 1.00 0.00 N ATOM 123 CA GLN A 136 5.039 5.905 -0.050 1.00 0.00 C ATOM 124 C GLN A 136 3.739 5.783 -0.933 1.00 0.00 C ATOM 125 O GLN A 136 3.114 6.806 -1.236 1.00 0.00 O ATOM 126 CB GLN A 136 5.915 7.136 -0.431 1.00 0.00 C ATOM 127 CG GLN A 136 6.499 7.181 -1.867 1.00 0.00 C ATOM 128 CD GLN A 136 7.343 8.436 -2.135 1.00 0.00 C ATOM 129 OE1 GLN A 136 8.530 8.488 -1.813 1.00 0.00 O ATOM 130 NE2 GLN A 136 6.759 9.468 -2.726 1.00 0.00 N ATOM 0 H GLN A 136 6.699 4.740 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 136 4.633 6.028 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 136 5.316 8.034 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.746 7.188 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.113 6.296 -2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 136 5.681 7.140 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 136 5.775 9.415 -2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.294 10.315 -2.918 1.00 0.00 H new ATOM 139 N PHE A 137 3.307 4.558 -1.303 1.00 0.00 N ATOM 140 CA PHE A 137 2.049 4.313 -2.048 1.00 0.00 C ATOM 141 C PHE A 137 1.613 2.872 -1.708 1.00 0.00 C ATOM 142 O PHE A 137 2.261 1.911 -2.132 1.00 0.00 O ATOM 143 CB PHE A 137 2.234 4.487 -3.590 1.00 0.00 C ATOM 144 CG PHE A 137 1.022 4.093 -4.473 1.00 0.00 C ATOM 145 CD1 PHE A 137 -0.102 4.924 -4.554 1.00 0.00 C ATOM 146 CD2 PHE A 137 1.013 2.868 -5.159 1.00 0.00 C ATOM 147 CE1 PHE A 137 -1.193 4.561 -5.340 1.00 0.00 C ATOM 148 CE2 PHE A 137 -0.080 2.508 -5.943 1.00 0.00 C ATOM 149 CZ PHE A 137 -1.175 3.361 -6.043 1.00 0.00 C ATOM 0 H PHE A 137 3.824 3.704 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 137 1.291 5.040 -1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 137 2.479 5.530 -3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.093 3.892 -3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -0.123 5.853 -4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 137 1.859 2.201 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -2.053 5.211 -5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -0.078 1.567 -6.473 1.00 0.00 H new ATOM 0 HZ PHE A 137 -2.013 3.090 -6.668 1.00 0.00 H new ATOM 159 N ILE A 138 0.456 2.725 -1.045 1.00 0.00 N ATOM 160 CA ILE A 138 -0.329 1.476 -1.109 1.00 0.00 C ATOM 161 C ILE A 138 -1.546 1.760 -2.078 1.00 0.00 C ATOM 162 O ILE A 138 -1.972 2.915 -2.227 1.00 0.00 O ATOM 163 CB ILE A 138 -0.689 0.885 0.287 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.562 1.779 1.196 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.611 0.471 1.039 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.075 1.751 0.933 1.00 0.00 C ATOM 0 H ILE A 138 0.042 3.450 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 138 0.264 0.660 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.315 0.020 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.390 1.485 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.217 2.808 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.352 0.059 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 138 1.144 -0.281 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.248 1.345 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.578 2.418 1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.273 2.080 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.449 0.736 1.066 1.00 0.00 H new ATOM 178 N PRO A 139 -2.142 0.752 -2.768 1.00 0.00 N ATOM 179 CA PRO A 139 -3.177 0.970 -3.814 1.00 0.00 C ATOM 180 C PRO A 139 -4.557 1.500 -3.315 1.00 0.00 C ATOM 181 O PRO A 139 -4.818 1.601 -2.111 1.00 0.00 O ATOM 182 CB PRO A 139 -3.272 -0.426 -4.471 1.00 0.00 C ATOM 183 CG PRO A 139 -2.097 -1.251 -3.962 1.00 0.00 C ATOM 184 CD PRO A 139 -1.797 -0.662 -2.595 1.00 0.00 C ATOM 0 HA PRO A 139 -2.893 1.775 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -4.217 -0.906 -4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -3.240 -0.342 -5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -2.352 -2.308 -3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -1.237 -1.173 -4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -2.394 -1.131 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -0.751 -0.792 -2.319 1.00 0.00 H new ATOM 192 N LYS A 140 -5.444 1.806 -4.283 1.00 0.00 N ATOM 193 CA LYS A 140 -6.862 2.168 -4.005 1.00 0.00 C ATOM 194 C LYS A 140 -7.702 0.853 -4.013 1.00 0.00 C ATOM 195 O LYS A 140 -8.390 0.503 -4.978 1.00 0.00 O ATOM 196 CB LYS A 140 -7.302 3.225 -5.051 1.00 0.00 C ATOM 197 CG LYS A 140 -8.690 3.851 -4.795 1.00 0.00 C ATOM 198 CD LYS A 140 -9.058 4.939 -5.827 1.00 0.00 C ATOM 199 CE LYS A 140 -10.455 5.565 -5.644 1.00 0.00 C ATOM 200 NZ LYS A 140 -10.561 6.420 -4.445 1.00 0.00 N ATOM 0 H LYS A 140 -5.207 1.811 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 140 -7.009 2.625 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.559 4.022 -5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -7.305 2.760 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -9.446 3.066 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -8.709 4.285 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.312 5.732 -5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -8.998 4.506 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -10.698 6.157 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.197 4.769 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.523 6.809 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.359 5.854 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -9.876 7.200 -4.513 1.00 0.00 H new ATOM 213 N GLY A 141 -7.575 0.132 -2.894 1.00 0.00 N ATOM 214 CA GLY A 141 -8.058 -1.261 -2.768 1.00 0.00 C ATOM 215 C GLY A 141 -7.695 -1.962 -1.442 1.00 0.00 C ATOM 216 O GLY A 141 -8.543 -2.638 -0.855 1.00 0.00 O ATOM 0 H GLY A 141 -7.136 0.491 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.142 -1.264 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -7.652 -1.846 -3.593 1.00 0.00 H new ATOM 220 N CYS A 142 -6.436 -1.809 -0.993 1.00 0.00 N ATOM 221 CA CYS A 142 -5.929 -2.377 0.285 1.00 0.00 C ATOM 222 C CYS A 142 -6.576 -1.663 1.510 1.00 0.00 C ATOM 223 O CYS A 142 -7.616 -2.113 2.000 1.00 0.00 O ATOM 224 CB CYS A 142 -4.383 -2.312 0.228 1.00 0.00 C ATOM 225 SG CYS A 142 -3.669 -2.960 1.745 1.00 0.00 S ATOM 0 H CYS A 142 -5.729 -1.283 -1.507 1.00 0.00 H new ATOM 0 HA CYS A 142 -6.216 -3.420 0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -4.020 -2.885 -0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.062 -1.281 0.079 1.00 0.00 H new ATOM 230 N SER A 143 -5.977 -0.549 1.957 1.00 0.00 N ATOM 231 CA SER A 143 -6.553 0.334 3.002 1.00 0.00 C ATOM 232 C SER A 143 -7.231 1.525 2.272 1.00 0.00 C ATOM 233 O SER A 143 -6.564 2.431 1.759 1.00 0.00 O ATOM 234 CB SER A 143 -5.445 0.770 3.983 1.00 0.00 C ATOM 235 OG SER A 143 -5.986 1.549 5.043 1.00 0.00 O ATOM 0 H SER A 143 -5.075 -0.227 1.607 1.00 0.00 H new ATOM 0 HA SER A 143 -7.304 -0.176 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 143 -4.947 -0.110 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 143 -4.689 1.347 3.451 1.00 0.00 H new ATOM 0 HG SER A 143 -5.267 1.814 5.654 1.00 0.00 H new ATOM 241 N LYS A 144 -8.571 1.465 2.211 1.00 0.00 N ATOM 242 CA LYS A 144 -9.403 2.424 1.442 1.00 0.00 C ATOM 243 C LYS A 144 -10.484 2.987 2.391 1.00 0.00 C ATOM 244 O LYS A 144 -10.476 4.149 2.796 1.00 0.00 O ATOM 245 CB LYS A 144 -9.953 1.713 0.178 1.00 0.00 C ATOM 246 CG LYS A 144 -10.728 2.638 -0.786 1.00 0.00 C ATOM 247 CD LYS A 144 -11.119 1.916 -2.085 1.00 0.00 C ATOM 248 CE LYS A 144 -11.988 2.781 -3.013 1.00 0.00 C ATOM 249 NZ LYS A 144 -12.309 2.070 -4.263 1.00 0.00 N ATOM 0 H LYS A 144 -9.116 0.750 2.693 1.00 0.00 H new ATOM 0 HA LYS A 144 -8.833 3.278 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -9.121 1.261 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -10.609 0.900 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -11.627 3.006 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -10.116 3.508 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -10.215 1.619 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -11.659 1.002 -1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -12.910 3.054 -2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -11.465 3.709 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -12.896 2.679 -4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -11.429 1.831 -4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -12.829 1.197 -4.042 1.00 0.00 H new TER 262 LYS A 144 HETATM 263 O OH A 145 -11.445 2.062 2.729 1.00 0.00 O