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 (3 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 54:sc= 0.196 USER MOD Single : A 131 SER OG : rot 13:sc= 0.864 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.067) 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 -90:sc= 0.662 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -0.523 -4.284 0.883 1.00 0.00 C HETATM 2 O ACE A 127 -1.604 -3.757 1.158 1.00 0.00 O HETATM 3 CH3 ACE A 127 -0.429 -5.330 -0.228 1.00 0.00 C HETATM 0 H1 ACE A 127 0.261 -4.983 -0.997 1.00 0.00 H new HETATM 0 H2 ACE A 127 -0.066 -6.270 0.187 1.00 0.00 H new HETATM 0 H3 ACE A 127 -1.415 -5.484 -0.667 1.00 0.00 H new ATOM 7 N LYS A 128 0.633 -3.991 1.499 1.00 0.00 N ATOM 8 CA LYS A 128 0.736 -2.981 2.592 1.00 0.00 C ATOM 9 C LYS A 128 0.799 -1.532 2.017 1.00 0.00 C ATOM 10 O LYS A 128 1.162 -1.310 0.856 1.00 0.00 O ATOM 11 CB LYS A 128 1.992 -3.259 3.466 1.00 0.00 C ATOM 12 CG LYS A 128 1.997 -4.604 4.229 1.00 0.00 C ATOM 13 CD LYS A 128 3.256 -4.788 5.098 1.00 0.00 C ATOM 14 CE LYS A 128 3.281 -6.143 5.828 1.00 0.00 C ATOM 15 NZ LYS A 128 4.498 -6.291 6.645 1.00 0.00 N ATOM 0 H LYS A 128 1.520 -4.436 1.265 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.158 -3.065 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 128 2.873 -3.224 2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 128 2.093 -2.451 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.112 -4.662 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 128 1.931 -5.424 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.142 -4.702 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 128 3.307 -3.984 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.401 -6.231 6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 128 3.230 -6.952 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 4.485 -7.214 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 5.337 -6.231 6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 4.533 -5.533 7.356 1.00 0.00 H new ATOM 28 N CYS A 129 0.460 -0.543 2.869 1.00 0.00 N ATOM 29 CA CYS A 129 0.398 0.890 2.479 1.00 0.00 C ATOM 30 C CYS A 129 1.823 1.448 2.176 1.00 0.00 C ATOM 31 O CYS A 129 2.210 1.484 1.004 1.00 0.00 O ATOM 32 CB CYS A 129 -0.392 1.676 3.558 1.00 0.00 C ATOM 33 SG CYS A 129 -2.147 1.230 3.655 1.00 0.00 S ATOM 0 H CYS A 129 0.221 -0.710 3.846 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.148 1.012 1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.071 1.504 4.530 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -0.309 2.743 3.350 1.00 0.00 H new ATOM 38 N THR A 130 2.591 1.840 3.208 1.00 0.00 N ATOM 39 CA THR A 130 3.977 2.376 3.036 1.00 0.00 C ATOM 40 C THR A 130 4.993 1.401 3.713 1.00 0.00 C ATOM 41 O THR A 130 5.553 1.704 4.771 1.00 0.00 O ATOM 42 CB THR A 130 4.067 3.843 3.572 1.00 0.00 C ATOM 43 OG1 THR A 130 3.710 3.914 4.951 1.00 0.00 O ATOM 44 CG2 THR A 130 3.181 4.844 2.807 1.00 0.00 C ATOM 0 H THR A 130 2.284 1.800 4.180 1.00 0.00 H new ATOM 0 HA THR A 130 4.237 2.429 1.979 1.00 0.00 H new ATOM 0 HB THR A 130 5.109 4.124 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.258 3.284 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 130 3.299 5.838 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 130 3.478 4.866 1.759 1.00 0.00 H new ATOM 0 HG23 THR A 130 2.138 4.538 2.882 1.00 0.00 H new ATOM 52 N SER A 131 5.226 0.222 3.090 1.00 0.00 N ATOM 53 CA SER A 131 6.116 -0.843 3.638 1.00 0.00 C ATOM 54 C SER A 131 6.481 -1.836 2.495 1.00 0.00 C ATOM 55 O SER A 131 7.648 -1.888 2.096 1.00 0.00 O ATOM 56 CB SER A 131 5.498 -1.596 4.854 1.00 0.00 C ATOM 57 OG SER A 131 5.444 -0.783 6.018 1.00 0.00 O ATOM 0 H SER A 131 4.805 -0.023 2.194 1.00 0.00 H new ATOM 0 HA SER A 131 7.016 -0.360 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 131 4.492 -1.930 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.087 -2.489 5.064 1.00 0.00 H new ATOM 0 HG SER A 131 5.619 0.150 5.774 1.00 0.00 H new ATOM 63 N ASP A 132 5.506 -2.619 1.974 1.00 0.00 N ATOM 64 CA ASP A 132 5.741 -3.639 0.914 1.00 0.00 C ATOM 65 C ASP A 132 5.973 -3.014 -0.498 1.00 0.00 C ATOM 66 O ASP A 132 6.985 -3.341 -1.125 1.00 0.00 O ATOM 67 CB ASP A 132 4.549 -4.639 0.947 1.00 0.00 C ATOM 68 CG ASP A 132 4.715 -5.887 0.069 1.00 0.00 C ATOM 69 OD1 ASP A 132 4.203 -6.003 -1.045 1.00 0.00 O ATOM 70 OD2 ASP A 132 5.496 -6.843 0.666 1.00 0.00 O ATOM 0 H ASP A 132 4.533 -2.564 2.274 1.00 0.00 H new ATOM 0 HA ASP A 132 6.671 -4.170 1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 132 4.392 -4.958 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.646 -4.113 0.635 1.00 0.00 H new ATOM 76 N GLN A 133 5.065 -2.142 -0.992 1.00 0.00 N ATOM 77 CA GLN A 133 5.196 -1.509 -2.329 1.00 0.00 C ATOM 78 C GLN A 133 6.120 -0.257 -2.219 1.00 0.00 C ATOM 79 O GLN A 133 7.343 -0.403 -2.127 1.00 0.00 O ATOM 80 CB GLN A 133 3.758 -1.339 -2.917 1.00 0.00 C ATOM 81 CG GLN A 133 3.750 -0.931 -4.411 1.00 0.00 C ATOM 82 CD GLN A 133 2.351 -0.576 -4.932 1.00 0.00 C ATOM 83 OE1 GLN A 133 1.721 0.370 -4.461 1.00 0.00 O ATOM 84 NE2 GLN A 133 1.845 -1.300 -5.918 1.00 0.00 N ATOM 0 H GLN A 133 4.228 -1.858 -0.483 1.00 0.00 H new ATOM 0 HA GLN A 133 5.715 -2.115 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 133 3.213 -2.276 -2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 133 3.224 -0.585 -2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 133 4.411 -0.076 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 133 4.156 -1.749 -5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 133 2.376 -2.082 -6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 133 0.924 -1.076 -6.295 1.00 0.00 H new ATOM 93 N ASP A 134 5.525 0.938 -2.243 1.00 0.00 N ATOM 94 CA ASP A 134 6.256 2.230 -2.283 1.00 0.00 C ATOM 95 C ASP A 134 5.715 3.181 -1.177 1.00 0.00 C ATOM 96 O ASP A 134 4.510 3.265 -0.914 1.00 0.00 O ATOM 97 CB ASP A 134 6.089 2.827 -3.714 1.00 0.00 C ATOM 98 CG ASP A 134 6.950 4.064 -4.032 1.00 0.00 C ATOM 99 OD1 ASP A 134 8.087 4.242 -3.594 1.00 0.00 O ATOM 100 OD2 ASP A 134 6.305 4.935 -4.871 1.00 0.00 O ATOM 0 H ASP A 134 4.511 1.049 -2.235 1.00 0.00 H new ATOM 0 HA ASP A 134 7.318 2.091 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 134 6.323 2.049 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 134 5.041 3.091 -3.856 1.00 0.00 H new ATOM 106 N GLU A 135 6.640 3.944 -0.567 1.00 0.00 N ATOM 107 CA GLU A 135 6.291 5.021 0.409 1.00 0.00 C ATOM 108 C GLU A 135 5.546 6.229 -0.251 1.00 0.00 C ATOM 109 O GLU A 135 4.570 6.716 0.327 1.00 0.00 O ATOM 110 CB GLU A 135 7.558 5.507 1.165 1.00 0.00 C ATOM 111 CG GLU A 135 8.184 4.446 2.099 1.00 0.00 C ATOM 112 CD GLU A 135 9.396 4.975 2.869 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.554 4.870 2.464 1.00 0.00 O ATOM 114 OE2 GLU A 135 9.040 5.573 4.051 1.00 0.00 O ATOM 0 H GLU A 135 7.642 3.843 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 135 5.595 4.579 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.305 5.819 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.301 6.387 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.431 4.103 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.484 3.580 1.508 1.00 0.00 H new ATOM 122 N GLN A 136 5.973 6.691 -1.448 1.00 0.00 N ATOM 123 CA GLN A 136 5.250 7.738 -2.228 1.00 0.00 C ATOM 124 C GLN A 136 3.917 7.276 -2.914 1.00 0.00 C ATOM 125 O GLN A 136 3.084 8.142 -3.200 1.00 0.00 O ATOM 126 CB GLN A 136 6.208 8.320 -3.307 1.00 0.00 C ATOM 127 CG GLN A 136 7.416 9.120 -2.763 1.00 0.00 C ATOM 128 CD GLN A 136 8.311 9.689 -3.876 1.00 0.00 C ATOM 129 OE1 GLN A 136 8.064 10.773 -4.403 1.00 0.00 O ATOM 130 NE2 GLN A 136 9.363 8.977 -4.256 1.00 0.00 N ATOM 0 H GLN A 136 6.822 6.356 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 136 4.948 8.487 -1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.584 7.498 -3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.632 8.969 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.052 9.939 -2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 136 8.013 8.473 -2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.559 8.080 -3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.977 9.327 -4.992 1.00 0.00 H new ATOM 139 N PHE A 137 3.708 5.967 -3.176 1.00 0.00 N ATOM 140 CA PHE A 137 2.463 5.439 -3.790 1.00 0.00 C ATOM 141 C PHE A 137 1.982 4.223 -2.952 1.00 0.00 C ATOM 142 O PHE A 137 2.605 3.156 -2.956 1.00 0.00 O ATOM 143 CB PHE A 137 2.697 5.064 -5.288 1.00 0.00 C ATOM 144 CG PHE A 137 1.498 4.373 -5.983 1.00 0.00 C ATOM 145 CD1 PHE A 137 0.304 5.068 -6.214 1.00 0.00 C ATOM 146 CD2 PHE A 137 1.558 3.005 -6.280 1.00 0.00 C ATOM 147 CE1 PHE A 137 -0.808 4.405 -6.729 1.00 0.00 C ATOM 148 CE2 PHE A 137 0.445 2.345 -6.793 1.00 0.00 C ATOM 149 CZ PHE A 137 -0.737 3.045 -7.017 1.00 0.00 C ATOM 0 H PHE A 137 4.397 5.244 -2.969 1.00 0.00 H new ATOM 0 HA PHE A 137 1.686 6.203 -3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 137 2.945 5.971 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.563 4.406 -5.351 1.00 0.00 H new ATOM 0 HD1 PHE A 137 0.245 6.123 -5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.474 2.459 -6.110 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -1.726 4.947 -6.905 1.00 0.00 H new ATOM 0 HE2 PHE A 137 0.499 1.290 -7.017 1.00 0.00 H new ATOM 0 HZ PHE A 137 -1.600 2.532 -7.415 1.00 0.00 H new ATOM 159 N ILE A 138 0.807 4.382 -2.320 1.00 0.00 N ATOM 160 CA ILE A 138 0.097 3.261 -1.640 1.00 0.00 C ATOM 161 C ILE A 138 -0.706 2.444 -2.725 1.00 0.00 C ATOM 162 O ILE A 138 -1.232 3.059 -3.662 1.00 0.00 O ATOM 163 CB ILE A 138 -0.800 3.747 -0.439 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.992 4.700 -0.779 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.072 4.428 0.648 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.282 4.009 -1.247 1.00 0.00 C ATOM 0 H ILE A 138 0.319 5.276 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 138 0.830 2.601 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.261 2.823 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.220 5.296 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.670 5.393 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.563 4.758 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.809 3.717 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.584 5.289 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -4.043 4.761 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.080 3.436 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.640 3.338 -0.466 1.00 0.00 H new ATOM 178 N PRO A 139 -0.856 1.090 -2.655 1.00 0.00 N ATOM 179 CA PRO A 139 -1.637 0.311 -3.655 1.00 0.00 C ATOM 180 C PRO A 139 -3.181 0.502 -3.541 1.00 0.00 C ATOM 181 O PRO A 139 -3.707 0.952 -2.517 1.00 0.00 O ATOM 182 CB PRO A 139 -1.180 -1.134 -3.372 1.00 0.00 C ATOM 183 CG PRO A 139 -0.750 -1.156 -1.908 1.00 0.00 C ATOM 184 CD PRO A 139 -0.203 0.243 -1.642 1.00 0.00 C ATOM 0 HA PRO A 139 -1.451 0.633 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.989 -1.842 -3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.356 -1.418 -4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.590 -1.384 -1.252 1.00 0.00 H new ATOM 0 HG3 PRO A 139 0.009 -1.918 -1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.440 0.577 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.882 0.271 -1.740 1.00 0.00 H new ATOM 192 N LYS A 140 -3.893 0.128 -4.622 1.00 0.00 N ATOM 193 CA LYS A 140 -5.370 0.256 -4.721 1.00 0.00 C ATOM 194 C LYS A 140 -6.035 -0.829 -3.825 1.00 0.00 C ATOM 195 O LYS A 140 -6.039 -2.022 -4.145 1.00 0.00 O ATOM 196 CB LYS A 140 -5.774 0.154 -6.221 1.00 0.00 C ATOM 197 CG LYS A 140 -7.183 0.666 -6.607 1.00 0.00 C ATOM 198 CD LYS A 140 -8.369 -0.233 -6.203 1.00 0.00 C ATOM 199 CE LYS A 140 -9.716 0.290 -6.734 1.00 0.00 C ATOM 200 NZ LYS A 140 -10.832 -0.582 -6.326 1.00 0.00 N ATOM 0 H LYS A 140 -3.464 -0.273 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.720 1.222 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -5.040 0.707 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.700 -0.891 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -7.327 1.647 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -7.212 0.806 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.201 -1.242 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -8.414 -0.303 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -9.887 1.300 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.680 0.352 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.725 -0.201 -6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.680 -1.540 -6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.880 -0.621 -5.288 1.00 0.00 H new ATOM 213 N GLY A 141 -6.580 -0.356 -2.697 1.00 0.00 N ATOM 214 CA GLY A 141 -7.187 -1.220 -1.655 1.00 0.00 C ATOM 215 C GLY A 141 -6.558 -1.209 -0.238 1.00 0.00 C ATOM 216 O GLY A 141 -7.178 -1.787 0.660 1.00 0.00 O ATOM 0 H GLY A 141 -6.617 0.638 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.235 -0.937 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -7.167 -2.247 -2.020 1.00 0.00 H new ATOM 220 N CYS A 142 -5.385 -0.580 -0.004 1.00 0.00 N ATOM 221 CA CYS A 142 -4.778 -0.478 1.353 1.00 0.00 C ATOM 222 C CYS A 142 -5.411 0.717 2.125 1.00 0.00 C ATOM 223 O CYS A 142 -6.275 0.494 2.978 1.00 0.00 O ATOM 224 CB CYS A 142 -3.234 -0.454 1.253 1.00 0.00 C ATOM 225 SG CYS A 142 -2.556 -0.589 2.919 1.00 0.00 S ATOM 0 H CYS A 142 -4.834 -0.132 -0.736 1.00 0.00 H new ATOM 0 HA CYS A 142 -5.006 -1.363 1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.881 -1.277 0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -2.898 0.469 0.780 1.00 0.00 H new ATOM 230 N SER A 143 -5.003 1.957 1.807 1.00 0.00 N ATOM 231 CA SER A 143 -5.627 3.197 2.348 1.00 0.00 C ATOM 232 C SER A 143 -5.973 4.131 1.150 1.00 0.00 C ATOM 233 O SER A 143 -5.356 5.185 0.958 1.00 0.00 O ATOM 234 CB SER A 143 -4.689 3.834 3.406 1.00 0.00 C ATOM 235 OG SER A 143 -3.410 4.175 2.873 1.00 0.00 O ATOM 0 H SER A 143 -4.230 2.138 1.167 1.00 0.00 H new ATOM 0 HA SER A 143 -6.560 2.990 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 143 -5.160 4.730 3.811 1.00 0.00 H new ATOM 0 HB3 SER A 143 -4.559 3.139 4.236 1.00 0.00 H new ATOM 0 HG SER A 143 -2.801 3.413 2.971 1.00 0.00 H new ATOM 241 N LYS A 144 -6.977 3.721 0.344 1.00 0.00 N ATOM 242 CA LYS A 144 -7.315 4.382 -0.940 1.00 0.00 C ATOM 243 C LYS A 144 -8.661 5.120 -0.785 1.00 0.00 C ATOM 244 O LYS A 144 -9.754 4.555 -0.717 1.00 0.00 O ATOM 245 CB LYS A 144 -7.333 3.289 -2.047 1.00 0.00 C ATOM 246 CG LYS A 144 -7.314 3.793 -3.508 1.00 0.00 C ATOM 247 CD LYS A 144 -5.942 4.328 -3.969 1.00 0.00 C ATOM 248 CE LYS A 144 -5.911 4.698 -5.462 1.00 0.00 C ATOM 249 NZ LYS A 144 -4.577 5.177 -5.866 1.00 0.00 N ATOM 250 OXT LYS A 144 -8.497 6.482 -0.725 1.00 0.00 O ATOM 0 H LYS A 144 -7.576 2.925 0.563 1.00 0.00 H new ATOM 0 HA LYS A 144 -6.579 5.133 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -6.472 2.638 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -8.224 2.676 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -7.615 2.978 -4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -8.057 4.583 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.683 5.206 -3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.179 3.575 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -6.185 3.829 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.654 5.470 -5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -4.587 5.419 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.328 6.020 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.874 4.430 -5.695 1.00 0.00 H new TER 264 LYS A 144