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 47:sc= 0.217 USER MOD Single : A 131 SER OG : rot 180:sc= 0 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 32:sc= 0.392 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -2.811 -3.613 -0.340 1.00 0.00 C HETATM 2 O ACE A 127 -3.220 -3.086 0.697 1.00 0.00 O HETATM 3 CH3 ACE A 127 -3.787 -3.940 -1.470 1.00 0.00 C HETATM 0 H1 ACE A 127 -3.492 -3.403 -2.372 1.00 0.00 H new HETATM 0 H2 ACE A 127 -3.772 -5.012 -1.665 1.00 0.00 H new HETATM 0 H3 ACE A 127 -4.793 -3.638 -1.180 1.00 0.00 H new ATOM 7 N LYS A 128 -1.525 -3.924 -0.565 1.00 0.00 N ATOM 8 CA LYS A 128 -0.439 -3.664 0.422 1.00 0.00 C ATOM 9 C LYS A 128 0.215 -2.281 0.138 1.00 0.00 C ATOM 10 O LYS A 128 0.665 -2.008 -0.979 1.00 0.00 O ATOM 11 CB LYS A 128 0.603 -4.822 0.437 1.00 0.00 C ATOM 12 CG LYS A 128 1.306 -5.184 -0.896 1.00 0.00 C ATOM 13 CD LYS A 128 2.294 -6.359 -0.754 1.00 0.00 C ATOM 14 CE LYS A 128 2.860 -6.828 -2.107 1.00 0.00 C ATOM 15 NZ LYS A 128 3.870 -7.886 -1.932 1.00 0.00 N ATOM 0 H LYS A 128 -1.199 -4.360 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.871 -3.629 1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 128 1.375 -4.568 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.102 -5.718 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 128 0.552 -5.438 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 128 1.840 -4.310 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 128 3.117 -6.060 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 128 1.791 -7.194 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.048 -7.198 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 128 3.305 -5.981 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 4.231 -8.179 -2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.656 -7.524 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 3.438 -8.703 -1.455 1.00 0.00 H new ATOM 28 N CYS A 129 0.278 -1.428 1.177 1.00 0.00 N ATOM 29 CA CYS A 129 0.807 -0.035 1.084 1.00 0.00 C ATOM 30 C CYS A 129 2.270 0.074 0.552 1.00 0.00 C ATOM 31 O CYS A 129 2.499 0.723 -0.472 1.00 0.00 O ATOM 32 CB CYS A 129 0.635 0.633 2.467 1.00 0.00 C ATOM 33 SG CYS A 129 -1.088 0.575 3.013 1.00 0.00 S ATOM 0 H CYS A 129 -0.036 -1.678 2.115 1.00 0.00 H new ATOM 0 HA CYS A 129 0.228 0.494 0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 129 1.268 0.130 3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 129 0.968 1.670 2.417 1.00 0.00 H new ATOM 38 N THR A 130 3.219 -0.593 1.230 1.00 0.00 N ATOM 39 CA THR A 130 4.625 -0.730 0.765 1.00 0.00 C ATOM 40 C THR A 130 4.749 -2.152 0.146 1.00 0.00 C ATOM 41 O THR A 130 4.707 -3.159 0.863 1.00 0.00 O ATOM 42 CB THR A 130 5.667 -0.504 1.905 1.00 0.00 C ATOM 43 OG1 THR A 130 5.397 -1.340 3.029 1.00 0.00 O ATOM 44 CG2 THR A 130 5.731 0.950 2.403 1.00 0.00 C ATOM 0 H THR A 130 3.040 -1.057 2.120 1.00 0.00 H new ATOM 0 HA THR A 130 4.851 0.042 0.029 1.00 0.00 H new ATOM 0 HB THR A 130 6.627 -0.757 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 130 5.235 -2.257 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 130 6.476 1.031 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 130 6.006 1.606 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 130 4.756 1.245 2.791 1.00 0.00 H new ATOM 52 N SER A 131 4.896 -2.225 -1.192 1.00 0.00 N ATOM 53 CA SER A 131 5.063 -3.519 -1.917 1.00 0.00 C ATOM 54 C SER A 131 6.520 -4.042 -1.741 1.00 0.00 C ATOM 55 O SER A 131 6.718 -5.026 -1.022 1.00 0.00 O ATOM 56 CB SER A 131 4.614 -3.366 -3.390 1.00 0.00 C ATOM 57 OG SER A 131 3.226 -3.063 -3.475 1.00 0.00 O ATOM 0 H SER A 131 4.904 -1.407 -1.801 1.00 0.00 H new ATOM 0 HA SER A 131 4.416 -4.284 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.192 -2.575 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.822 -4.287 -3.934 1.00 0.00 H new ATOM 0 HG SER A 131 2.969 -2.970 -4.416 1.00 0.00 H new ATOM 63 N ASP A 132 7.520 -3.366 -2.342 1.00 0.00 N ATOM 64 CA ASP A 132 8.960 -3.588 -2.032 1.00 0.00 C ATOM 65 C ASP A 132 9.322 -2.468 -1.008 1.00 0.00 C ATOM 66 O ASP A 132 9.362 -2.748 0.194 1.00 0.00 O ATOM 67 CB ASP A 132 9.822 -3.617 -3.326 1.00 0.00 C ATOM 68 CG ASP A 132 9.602 -4.850 -4.216 1.00 0.00 C ATOM 69 OD1 ASP A 132 8.852 -4.855 -5.191 1.00 0.00 O ATOM 70 OD2 ASP A 132 10.330 -5.933 -3.793 1.00 0.00 O ATOM 0 H ASP A 132 7.361 -2.653 -3.054 1.00 0.00 H new ATOM 0 HA ASP A 132 9.167 -4.563 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 132 9.607 -2.722 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 132 10.875 -3.571 -3.046 1.00 0.00 H new ATOM 76 N GLN A 133 9.529 -1.216 -1.467 1.00 0.00 N ATOM 77 CA GLN A 133 9.571 -0.023 -0.586 1.00 0.00 C ATOM 78 C GLN A 133 8.824 1.084 -1.383 1.00 0.00 C ATOM 79 O GLN A 133 9.445 1.866 -2.112 1.00 0.00 O ATOM 80 CB GLN A 133 11.029 0.340 -0.189 1.00 0.00 C ATOM 81 CG GLN A 133 11.112 1.478 0.855 1.00 0.00 C ATOM 82 CD GLN A 133 12.551 1.853 1.239 1.00 0.00 C ATOM 83 OE1 GLN A 133 13.202 2.655 0.570 1.00 0.00 O ATOM 84 NE2 GLN A 133 13.074 1.295 2.321 1.00 0.00 N ATOM 0 H GLN A 133 9.671 -1.001 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 133 9.085 -0.183 0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 133 11.521 -0.547 0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 133 11.579 0.635 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.608 2.360 0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.571 1.177 1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 133 12.526 0.632 2.868 1.00 0.00 H new ATOM 0 HE22 GLN A 133 14.025 1.529 2.607 1.00 0.00 H new ATOM 93 N ASP A 134 7.482 1.120 -1.250 1.00 0.00 N ATOM 94 CA ASP A 134 6.620 2.092 -1.981 1.00 0.00 C ATOM 95 C ASP A 134 5.982 3.042 -0.931 1.00 0.00 C ATOM 96 O ASP A 134 4.825 2.887 -0.529 1.00 0.00 O ATOM 97 CB ASP A 134 5.569 1.343 -2.850 1.00 0.00 C ATOM 98 CG ASP A 134 6.158 0.602 -4.062 1.00 0.00 C ATOM 99 OD1 ASP A 134 6.754 -0.472 -3.975 1.00 0.00 O ATOM 100 OD2 ASP A 134 5.949 1.277 -5.237 1.00 0.00 O ATOM 0 H ASP A 134 6.963 0.487 -0.642 1.00 0.00 H new ATOM 0 HA ASP A 134 7.204 2.692 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 134 5.042 0.625 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.829 2.061 -3.203 1.00 0.00 H new ATOM 106 N GLU A 135 6.770 4.040 -0.492 1.00 0.00 N ATOM 107 CA GLU A 135 6.346 5.026 0.546 1.00 0.00 C ATOM 108 C GLU A 135 5.402 6.117 -0.045 1.00 0.00 C ATOM 109 O GLU A 135 4.307 6.313 0.492 1.00 0.00 O ATOM 110 CB GLU A 135 7.600 5.641 1.230 1.00 0.00 C ATOM 111 CG GLU A 135 8.408 4.635 2.086 1.00 0.00 C ATOM 112 CD GLU A 135 9.694 5.229 2.663 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.802 5.070 2.152 1.00 0.00 O ATOM 114 OE2 GLU A 135 9.466 5.949 3.809 1.00 0.00 O ATOM 0 H GLU A 135 7.717 4.194 -0.839 1.00 0.00 H new ATOM 0 HA GLU A 135 5.765 4.505 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.253 6.056 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.286 6.471 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.782 4.279 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.659 3.768 1.475 1.00 0.00 H new ATOM 122 N GLN A 136 5.795 6.789 -1.149 1.00 0.00 N ATOM 123 CA GLN A 136 4.907 7.739 -1.885 1.00 0.00 C ATOM 124 C GLN A 136 3.765 7.077 -2.732 1.00 0.00 C ATOM 125 O GLN A 136 2.790 7.772 -3.033 1.00 0.00 O ATOM 126 CB GLN A 136 5.777 8.644 -2.803 1.00 0.00 C ATOM 127 CG GLN A 136 6.713 9.632 -2.064 1.00 0.00 C ATOM 128 CD GLN A 136 7.511 10.535 -3.018 1.00 0.00 C ATOM 129 OE1 GLN A 136 7.030 11.577 -3.463 1.00 0.00 O ATOM 130 NE2 GLN A 136 8.739 10.163 -3.350 1.00 0.00 N ATOM 0 H GLN A 136 6.725 6.696 -1.558 1.00 0.00 H new ATOM 0 HA GLN A 136 4.393 8.314 -1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.384 8.005 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.116 9.215 -3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.119 10.255 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.407 9.068 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.128 9.298 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.295 10.742 -3.980 1.00 0.00 H new ATOM 139 N PHE A 137 3.863 5.780 -3.102 1.00 0.00 N ATOM 140 CA PHE A 137 2.822 5.066 -3.884 1.00 0.00 C ATOM 141 C PHE A 137 2.096 4.062 -2.946 1.00 0.00 C ATOM 142 O PHE A 137 2.723 3.207 -2.313 1.00 0.00 O ATOM 143 CB PHE A 137 3.479 4.351 -5.105 1.00 0.00 C ATOM 144 CG PHE A 137 2.504 3.498 -5.950 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.605 4.107 -6.833 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.431 2.113 -5.745 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.644 3.344 -7.494 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.468 1.354 -6.405 1.00 0.00 C ATOM 149 CZ PHE A 137 0.575 1.970 -7.278 1.00 0.00 C ATOM 0 H PHE A 137 4.666 5.196 -2.868 1.00 0.00 H new ATOM 0 HA PHE A 137 2.085 5.768 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.935 5.104 -5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.284 3.710 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.656 5.172 -7.003 1.00 0.00 H new ATOM 0 HD2 PHE A 137 3.125 1.632 -5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -0.048 3.819 -8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 137 1.414 0.288 -6.240 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.173 1.381 -7.789 1.00 0.00 H new ATOM 159 N ILE A 138 0.757 4.149 -2.927 1.00 0.00 N ATOM 160 CA ILE A 138 -0.113 3.162 -2.229 1.00 0.00 C ATOM 161 C ILE A 138 -1.154 2.635 -3.288 1.00 0.00 C ATOM 162 O ILE A 138 -1.781 3.462 -3.962 1.00 0.00 O ATOM 163 CB ILE A 138 -0.760 3.707 -0.907 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.709 4.939 -1.061 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.334 4.015 0.148 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.199 4.586 -1.185 1.00 0.00 C ATOM 0 H ILE A 138 0.240 4.897 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 138 0.489 2.331 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.408 2.895 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.575 5.595 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.408 5.505 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.134 4.392 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.887 3.104 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.018 4.766 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.782 5.501 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.352 3.958 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.521 4.049 -0.293 1.00 0.00 H new ATOM 178 N PRO A 139 -1.389 1.302 -3.477 1.00 0.00 N ATOM 179 CA PRO A 139 -2.344 0.775 -4.493 1.00 0.00 C ATOM 180 C PRO A 139 -3.846 0.825 -4.059 1.00 0.00 C ATOM 181 O PRO A 139 -4.199 1.316 -2.980 1.00 0.00 O ATOM 182 CB PRO A 139 -1.790 -0.658 -4.683 1.00 0.00 C ATOM 183 CG PRO A 139 -1.264 -1.061 -3.308 1.00 0.00 C ATOM 184 CD PRO A 139 -0.658 0.234 -2.774 1.00 0.00 C ATOM 0 HA PRO A 139 -2.386 1.366 -5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.568 -1.341 -5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.997 -0.679 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -2.062 -1.428 -2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.520 -1.855 -3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.781 0.314 -1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.412 0.285 -2.978 1.00 0.00 H new ATOM 192 N LYS A 140 -4.722 0.288 -4.933 1.00 0.00 N ATOM 193 CA LYS A 140 -6.176 0.143 -4.667 1.00 0.00 C ATOM 194 C LYS A 140 -6.362 -1.044 -3.676 1.00 0.00 C ATOM 195 O LYS A 140 -6.112 -2.210 -4.001 1.00 0.00 O ATOM 196 CB LYS A 140 -6.915 -0.061 -6.022 1.00 0.00 C ATOM 197 CG LYS A 140 -8.452 0.117 -6.014 1.00 0.00 C ATOM 198 CD LYS A 140 -9.266 -1.063 -5.443 1.00 0.00 C ATOM 199 CE LYS A 140 -10.786 -0.859 -5.584 1.00 0.00 C ATOM 200 NZ LYS A 140 -11.536 -1.996 -5.022 1.00 0.00 N ATOM 0 H LYS A 140 -4.443 -0.061 -5.850 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.606 1.032 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.496 0.638 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -6.691 -1.065 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -8.691 1.011 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -8.782 0.299 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.977 -1.980 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -9.017 -1.195 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.080 0.059 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.042 -0.737 -6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -12.556 -1.828 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -11.273 -2.868 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -11.309 -2.096 -4.012 1.00 0.00 H new ATOM 213 N GLY A 141 -6.796 -0.684 -2.465 1.00 0.00 N ATOM 214 CA GLY A 141 -6.883 -1.617 -1.314 1.00 0.00 C ATOM 215 C GLY A 141 -6.045 -1.263 -0.055 1.00 0.00 C ATOM 216 O GLY A 141 -6.308 -1.842 1.002 1.00 0.00 O ATOM 0 H GLY A 141 -7.100 0.264 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.929 -1.690 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.579 -2.606 -1.656 1.00 0.00 H new ATOM 220 N CYS A 142 -5.068 -0.337 -0.137 1.00 0.00 N ATOM 221 CA CYS A 142 -4.321 0.181 1.043 1.00 0.00 C ATOM 222 C CYS A 142 -5.210 1.119 1.914 1.00 0.00 C ATOM 223 O CYS A 142 -5.491 0.779 3.068 1.00 0.00 O ATOM 224 CB CYS A 142 -3.018 0.846 0.545 1.00 0.00 C ATOM 225 SG CYS A 142 -2.212 1.772 1.873 1.00 0.00 S ATOM 0 H CYS A 142 -4.770 0.077 -1.020 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.047 -0.638 1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.339 0.083 0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.242 1.515 -0.286 1.00 0.00 H new ATOM 230 N SER A 143 -5.655 2.261 1.359 1.00 0.00 N ATOM 231 CA SER A 143 -6.572 3.206 2.047 1.00 0.00 C ATOM 232 C SER A 143 -8.012 2.983 1.505 1.00 0.00 C ATOM 233 O SER A 143 -8.382 3.487 0.439 1.00 0.00 O ATOM 234 CB SER A 143 -6.068 4.660 1.871 1.00 0.00 C ATOM 235 OG SER A 143 -6.012 5.071 0.507 1.00 0.00 O ATOM 0 H SER A 143 -5.392 2.561 0.420 1.00 0.00 H new ATOM 0 HA SER A 143 -6.591 3.021 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 143 -6.724 5.335 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 143 -5.076 4.750 2.313 1.00 0.00 H new ATOM 0 HG SER A 143 -6.724 4.626 0.002 1.00 0.00 H new ATOM 241 N LYS A 144 -8.811 2.205 2.259 1.00 0.00 N ATOM 242 CA LYS A 144 -10.215 1.881 1.891 1.00 0.00 C ATOM 243 C LYS A 144 -11.148 2.889 2.599 1.00 0.00 C ATOM 244 O LYS A 144 -11.382 2.882 3.809 1.00 0.00 O ATOM 245 CB LYS A 144 -10.572 0.421 2.279 1.00 0.00 C ATOM 246 CG LYS A 144 -9.881 -0.671 1.431 1.00 0.00 C ATOM 247 CD LYS A 144 -10.349 -2.092 1.801 1.00 0.00 C ATOM 248 CE LYS A 144 -9.696 -3.185 0.937 1.00 0.00 C ATOM 249 NZ LYS A 144 -10.180 -4.527 1.306 1.00 0.00 N ATOM 250 OXT LYS A 144 -11.680 3.801 1.722 1.00 0.00 O ATOM 0 H LYS A 144 -8.510 1.782 3.137 1.00 0.00 H new ATOM 0 HA LYS A 144 -10.340 1.961 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.311 0.266 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.651 0.294 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.084 -0.489 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -8.802 -0.601 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -10.121 -2.282 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -11.432 -2.151 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -9.912 -2.996 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.613 -3.143 1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -9.720 -5.240 0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -9.952 -4.716 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -11.210 -4.574 1.172 1.00 0.00 H new TER 264 LYS A 144