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 Set 1.1: A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 45:sc= 0.349 USER MOD Single : A 131 SER OG : rot 15:sc= 0.914 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 143 SER OG : rot 46:sc= 1.11 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 0.140 -3.724 0.585 1.00 0.00 C HETATM 2 O ACE A 127 -0.924 -3.415 1.129 1.00 0.00 O HETATM 3 CH3 ACE A 127 0.151 -4.640 -0.638 1.00 0.00 C HETATM 0 H1 ACE A 127 0.600 -4.115 -1.481 1.00 0.00 H new HETATM 0 H2 ACE A 127 0.732 -5.535 -0.417 1.00 0.00 H new HETATM 0 H3 ACE A 127 -0.871 -4.924 -0.889 1.00 0.00 H new ATOM 7 N LYS A 128 1.343 -3.292 0.991 1.00 0.00 N ATOM 8 CA LYS A 128 1.533 -2.385 2.158 1.00 0.00 C ATOM 9 C LYS A 128 1.250 -0.907 1.750 1.00 0.00 C ATOM 10 O LYS A 128 1.458 -0.508 0.598 1.00 0.00 O ATOM 11 CB LYS A 128 2.980 -2.492 2.726 1.00 0.00 C ATOM 12 CG LYS A 128 3.405 -3.837 3.365 1.00 0.00 C ATOM 13 CD LYS A 128 3.868 -4.928 2.374 1.00 0.00 C ATOM 14 CE LYS A 128 4.466 -6.159 3.079 1.00 0.00 C ATOM 15 NZ LYS A 128 4.929 -7.163 2.106 1.00 0.00 N ATOM 0 H LYS A 128 2.214 -3.554 0.530 1.00 0.00 H new ATOM 0 HA LYS A 128 0.829 -2.693 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 128 3.675 -2.271 1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 128 3.105 -1.710 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 128 4.214 -3.645 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 128 2.566 -4.227 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 128 3.021 -5.241 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 128 4.611 -4.506 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 128 5.300 -5.850 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 128 3.718 -6.604 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 5.326 -7.980 2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.128 -7.475 1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 5.660 -6.744 1.497 1.00 0.00 H new ATOM 28 N CYS A 129 0.802 -0.087 2.723 1.00 0.00 N ATOM 29 CA CYS A 129 0.463 1.343 2.486 1.00 0.00 C ATOM 30 C CYS A 129 1.768 2.160 2.244 1.00 0.00 C ATOM 31 O CYS A 129 2.128 2.360 1.080 1.00 0.00 O ATOM 32 CB CYS A 129 -0.436 1.871 3.633 1.00 0.00 C ATOM 33 SG CYS A 129 -2.067 1.084 3.711 1.00 0.00 S ATOM 0 H CYS A 129 0.664 -0.388 3.688 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.129 1.460 1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.076 1.717 4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -0.568 2.946 3.512 1.00 0.00 H new ATOM 38 N THR A 130 2.474 2.589 3.308 1.00 0.00 N ATOM 39 CA THR A 130 3.774 3.310 3.177 1.00 0.00 C ATOM 40 C THR A 130 4.795 2.687 4.176 1.00 0.00 C ATOM 41 O THR A 130 4.982 3.198 5.285 1.00 0.00 O ATOM 42 CB THR A 130 3.620 4.856 3.361 1.00 0.00 C ATOM 43 OG1 THR A 130 3.055 5.173 4.631 1.00 0.00 O ATOM 44 CG2 THR A 130 2.753 5.534 2.287 1.00 0.00 C ATOM 0 H THR A 130 2.173 2.453 4.273 1.00 0.00 H new ATOM 0 HA THR A 130 4.151 3.184 2.162 1.00 0.00 H new ATOM 0 HB THR A 130 4.637 5.239 3.273 1.00 0.00 H new ATOM 0 HG1 THR A 130 3.496 4.643 5.327 1.00 0.00 H new ATOM 0 HG21 THR A 130 2.697 6.604 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 130 3.197 5.371 1.305 1.00 0.00 H new ATOM 0 HG23 THR A 130 1.750 5.108 2.307 1.00 0.00 H new ATOM 52 N SER A 131 5.456 1.578 3.773 1.00 0.00 N ATOM 53 CA SER A 131 6.480 0.891 4.609 1.00 0.00 C ATOM 54 C SER A 131 7.385 0.067 3.644 1.00 0.00 C ATOM 55 O SER A 131 8.412 0.586 3.196 1.00 0.00 O ATOM 56 CB SER A 131 5.851 0.046 5.761 1.00 0.00 C ATOM 57 OG SER A 131 5.280 0.862 6.776 1.00 0.00 O ATOM 0 H SER A 131 5.300 1.133 2.868 1.00 0.00 H new ATOM 0 HA SER A 131 7.091 1.621 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.084 -0.610 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.617 -0.594 6.200 1.00 0.00 H new ATOM 0 HG SER A 131 5.177 1.777 6.441 1.00 0.00 H new ATOM 63 N ASP A 132 7.011 -1.190 3.319 1.00 0.00 N ATOM 64 CA ASP A 132 7.815 -2.100 2.455 1.00 0.00 C ATOM 65 C ASP A 132 7.488 -1.995 0.929 1.00 0.00 C ATOM 66 O ASP A 132 8.425 -2.057 0.128 1.00 0.00 O ATOM 67 CB ASP A 132 7.610 -3.539 3.008 1.00 0.00 C ATOM 68 CG ASP A 132 8.495 -4.627 2.381 1.00 0.00 C ATOM 69 OD1 ASP A 132 8.092 -5.417 1.528 1.00 0.00 O ATOM 70 OD2 ASP A 132 9.772 -4.608 2.879 1.00 0.00 O ATOM 0 H ASP A 132 6.141 -1.609 3.647 1.00 0.00 H new ATOM 0 HA ASP A 132 8.863 -1.805 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 132 7.791 -3.524 4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 132 6.566 -3.818 2.864 1.00 0.00 H new ATOM 76 N GLN A 133 6.204 -1.865 0.520 1.00 0.00 N ATOM 77 CA GLN A 133 5.790 -1.828 -0.910 1.00 0.00 C ATOM 78 C GLN A 133 6.275 -0.535 -1.627 1.00 0.00 C ATOM 79 O GLN A 133 7.302 -0.551 -2.311 1.00 0.00 O ATOM 80 CB GLN A 133 4.257 -2.132 -0.953 1.00 0.00 C ATOM 81 CG GLN A 133 3.614 -2.262 -2.354 1.00 0.00 C ATOM 82 CD GLN A 133 4.062 -3.493 -3.159 1.00 0.00 C ATOM 83 OE1 GLN A 133 3.649 -4.620 -2.884 1.00 0.00 O ATOM 84 NE2 GLN A 133 4.905 -3.309 -4.164 1.00 0.00 N ATOM 0 H GLN A 133 5.422 -1.782 1.170 1.00 0.00 H new ATOM 0 HA GLN A 133 6.282 -2.598 -1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 133 4.079 -3.060 -0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 133 3.738 -1.341 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.531 -2.296 -2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 133 3.846 -1.366 -2.929 1.00 0.00 H new ATOM 0 HE21 GLN A 133 5.241 -2.371 -4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 133 5.218 -4.105 -4.719 1.00 0.00 H new ATOM 93 N ASP A 134 5.524 0.552 -1.452 1.00 0.00 N ATOM 94 CA ASP A 134 5.792 1.858 -2.109 1.00 0.00 C ATOM 95 C ASP A 134 5.426 2.978 -1.098 1.00 0.00 C ATOM 96 O ASP A 134 4.254 3.185 -0.765 1.00 0.00 O ATOM 97 CB ASP A 134 4.984 1.997 -3.434 1.00 0.00 C ATOM 98 CG ASP A 134 5.551 1.199 -4.616 1.00 0.00 C ATOM 99 OD1 ASP A 134 5.130 0.093 -4.951 1.00 0.00 O ATOM 100 OD2 ASP A 134 6.574 1.862 -5.244 1.00 0.00 O ATOM 0 H ASP A 134 4.702 0.565 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 134 6.844 1.935 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 134 3.958 1.675 -3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.943 3.051 -3.710 1.00 0.00 H new ATOM 106 N GLU A 135 6.447 3.717 -0.626 1.00 0.00 N ATOM 107 CA GLU A 135 6.257 4.863 0.316 1.00 0.00 C ATOM 108 C GLU A 135 5.702 6.158 -0.359 1.00 0.00 C ATOM 109 O GLU A 135 4.889 6.846 0.267 1.00 0.00 O ATOM 110 CB GLU A 135 7.579 5.152 1.082 1.00 0.00 C ATOM 111 CG GLU A 135 7.962 4.042 2.089 1.00 0.00 C ATOM 112 CD GLU A 135 9.249 4.341 2.858 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.361 3.966 2.489 1.00 0.00 O ATOM 114 OE2 GLU A 135 9.015 5.065 3.999 1.00 0.00 O ATOM 0 H GLU A 135 7.421 3.549 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 135 5.486 4.555 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.388 5.274 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.482 6.098 1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.146 3.908 2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.077 3.100 1.554 1.00 0.00 H new ATOM 122 N GLN A 136 6.103 6.493 -1.603 1.00 0.00 N ATOM 123 CA GLN A 136 5.487 7.612 -2.381 1.00 0.00 C ATOM 124 C GLN A 136 4.079 7.306 -3.009 1.00 0.00 C ATOM 125 O GLN A 136 3.399 8.254 -3.413 1.00 0.00 O ATOM 126 CB GLN A 136 6.472 8.047 -3.504 1.00 0.00 C ATOM 127 CG GLN A 136 7.779 8.717 -3.015 1.00 0.00 C ATOM 128 CD GLN A 136 8.691 9.171 -4.166 1.00 0.00 C ATOM 129 OE1 GLN A 136 8.531 10.260 -4.717 1.00 0.00 O ATOM 130 NE2 GLN A 136 9.663 8.357 -4.552 1.00 0.00 N ATOM 0 H GLN A 136 6.851 6.009 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 136 5.308 8.409 -1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.732 7.170 -4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.956 8.739 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.529 9.579 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 136 8.324 8.017 -2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.788 7.457 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 136 10.286 8.631 -5.312 1.00 0.00 H new ATOM 139 N PHE A 137 3.644 6.030 -3.099 1.00 0.00 N ATOM 140 CA PHE A 137 2.356 5.629 -3.717 1.00 0.00 C ATOM 141 C PHE A 137 1.732 4.499 -2.854 1.00 0.00 C ATOM 142 O PHE A 137 2.320 3.425 -2.716 1.00 0.00 O ATOM 143 CB PHE A 137 2.622 5.174 -5.190 1.00 0.00 C ATOM 144 CG PHE A 137 1.440 4.488 -5.910 1.00 0.00 C ATOM 145 CD1 PHE A 137 0.333 5.228 -6.341 1.00 0.00 C ATOM 146 CD2 PHE A 137 1.434 3.095 -6.063 1.00 0.00 C ATOM 147 CE1 PHE A 137 -0.760 4.584 -6.916 1.00 0.00 C ATOM 148 CE2 PHE A 137 0.341 2.455 -6.640 1.00 0.00 C ATOM 149 CZ PHE A 137 -0.756 3.199 -7.065 1.00 0.00 C ATOM 0 H PHE A 137 4.181 5.240 -2.742 1.00 0.00 H new ATOM 0 HA PHE A 137 1.650 6.459 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 137 2.918 6.047 -5.771 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.469 4.488 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 137 0.326 6.302 -6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.282 2.515 -5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -1.612 5.159 -7.247 1.00 0.00 H new ATOM 0 HE2 PHE A 137 0.344 1.381 -6.758 1.00 0.00 H new ATOM 0 HZ PHE A 137 -1.605 2.702 -7.511 1.00 0.00 H new ATOM 159 N ILE A 138 0.496 4.702 -2.361 1.00 0.00 N ATOM 160 CA ILE A 138 -0.276 3.611 -1.693 1.00 0.00 C ATOM 161 C ILE A 138 -0.964 2.745 -2.814 1.00 0.00 C ATOM 162 O ILE A 138 -1.539 3.332 -3.741 1.00 0.00 O ATOM 163 CB ILE A 138 -1.295 4.109 -0.602 1.00 0.00 C ATOM 164 CG1 ILE A 138 -2.481 4.997 -1.097 1.00 0.00 C ATOM 165 CG2 ILE A 138 -0.544 4.841 0.537 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.748 4.218 -1.491 1.00 0.00 C ATOM 0 H ILE A 138 0.006 5.596 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 138 0.422 3.000 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.768 3.191 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.738 5.707 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -2.147 5.579 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -1.260 5.181 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.169 4.159 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.011 5.700 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -4.517 4.917 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.513 3.527 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -4.113 3.658 -0.630 1.00 0.00 H new ATOM 178 N PRO A 139 -0.956 1.380 -2.791 1.00 0.00 N ATOM 179 CA PRO A 139 -1.652 0.549 -3.810 1.00 0.00 C ATOM 180 C PRO A 139 -3.205 0.547 -3.648 1.00 0.00 C ATOM 181 O PRO A 139 -3.748 0.935 -2.606 1.00 0.00 O ATOM 182 CB PRO A 139 -0.990 -0.828 -3.601 1.00 0.00 C ATOM 183 CG PRO A 139 -0.599 -0.867 -2.124 1.00 0.00 C ATOM 184 CD PRO A 139 -0.234 0.578 -1.788 1.00 0.00 C ATOM 0 HA PRO A 139 -1.544 0.919 -4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.678 -1.637 -3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.117 -0.946 -4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.422 -1.223 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 139 0.242 -1.539 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.539 0.840 -0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.842 0.741 -1.849 1.00 0.00 H new ATOM 192 N LYS A 140 -3.907 0.097 -4.706 1.00 0.00 N ATOM 193 CA LYS A 140 -5.391 0.085 -4.766 1.00 0.00 C ATOM 194 C LYS A 140 -5.960 -1.005 -3.808 1.00 0.00 C ATOM 195 O LYS A 140 -5.883 -2.209 -4.074 1.00 0.00 O ATOM 196 CB LYS A 140 -5.813 -0.128 -6.246 1.00 0.00 C ATOM 197 CG LYS A 140 -7.319 0.076 -6.524 1.00 0.00 C ATOM 198 CD LYS A 140 -7.680 -0.099 -8.016 1.00 0.00 C ATOM 199 CE LYS A 140 -9.174 0.080 -8.351 1.00 0.00 C ATOM 200 NZ LYS A 140 -9.635 1.477 -8.237 1.00 0.00 N ATOM 0 H LYS A 140 -3.464 -0.271 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.806 1.034 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -5.245 0.559 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.536 -1.138 -6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -7.893 -0.635 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -7.612 1.074 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -7.104 0.619 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.368 -1.093 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -9.356 -0.274 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.766 -0.546 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -10.646 1.529 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -9.491 1.812 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -9.094 2.076 -8.893 1.00 0.00 H new ATOM 213 N GLY A 141 -6.512 -0.518 -2.690 1.00 0.00 N ATOM 214 CA GLY A 141 -7.031 -1.373 -1.594 1.00 0.00 C ATOM 215 C GLY A 141 -6.351 -1.268 -0.205 1.00 0.00 C ATOM 216 O GLY A 141 -6.937 -1.783 0.752 1.00 0.00 O ATOM 0 H GLY A 141 -6.616 0.481 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.089 -1.146 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.965 -2.411 -1.920 1.00 0.00 H new ATOM 220 N CYS A 142 -5.170 -0.627 -0.057 1.00 0.00 N ATOM 221 CA CYS A 142 -4.495 -0.468 1.263 1.00 0.00 C ATOM 222 C CYS A 142 -5.132 0.699 2.069 1.00 0.00 C ATOM 223 O CYS A 142 -5.867 0.435 3.025 1.00 0.00 O ATOM 224 CB CYS A 142 -2.964 -0.362 1.076 1.00 0.00 C ATOM 225 SG CYS A 142 -2.178 -0.629 2.677 1.00 0.00 S ATOM 0 H CYS A 142 -4.659 -0.208 -0.834 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.655 -1.358 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.617 -1.102 0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -2.697 0.618 0.681 1.00 0.00 H new ATOM 230 N SER A 143 -4.881 1.958 1.667 1.00 0.00 N ATOM 231 CA SER A 143 -5.542 3.152 2.259 1.00 0.00 C ATOM 232 C SER A 143 -6.673 3.582 1.282 1.00 0.00 C ATOM 233 O SER A 143 -6.468 4.407 0.384 1.00 0.00 O ATOM 234 CB SER A 143 -4.501 4.269 2.509 1.00 0.00 C ATOM 235 OG SER A 143 -3.550 3.878 3.492 1.00 0.00 O ATOM 0 H SER A 143 -4.218 2.184 0.926 1.00 0.00 H new ATOM 0 HA SER A 143 -5.981 2.932 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 143 -3.988 4.506 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 143 -5.009 5.177 2.833 1.00 0.00 H new ATOM 0 HG SER A 143 -3.246 2.965 3.308 1.00 0.00 H new ATOM 241 N LYS A 144 -7.863 2.973 1.452 1.00 0.00 N ATOM 242 CA LYS A 144 -9.015 3.169 0.537 1.00 0.00 C ATOM 243 C LYS A 144 -10.305 3.134 1.387 1.00 0.00 C ATOM 244 O LYS A 144 -11.000 4.131 1.585 1.00 0.00 O ATOM 245 CB LYS A 144 -8.967 2.102 -0.594 1.00 0.00 C ATOM 246 CG LYS A 144 -10.008 2.297 -1.718 1.00 0.00 C ATOM 247 CD LYS A 144 -9.904 1.219 -2.814 1.00 0.00 C ATOM 248 CE LYS A 144 -10.957 1.391 -3.923 1.00 0.00 C ATOM 249 NZ LYS A 144 -10.859 0.316 -4.925 1.00 0.00 N ATOM 250 OXT LYS A 144 -10.591 1.886 1.890 1.00 0.00 O ATOM 0 H LYS A 144 -8.057 2.333 2.223 1.00 0.00 H new ATOM 0 HA LYS A 144 -8.983 4.135 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -7.971 2.108 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -9.113 1.117 -0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -11.010 2.278 -1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.873 3.281 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -8.908 1.252 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -10.018 0.234 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -11.954 1.392 -3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -10.822 2.357 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -11.581 0.459 -5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -9.915 0.332 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -11.012 -0.604 -4.464 1.00 0.00 H new TER 264 LYS A 144