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 45:sc= 0.188 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0.068 K(o=0.068,f=-2.1) 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 21:sc= 0.0431 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -2.360 -4.552 -0.274 1.00 0.00 C HETATM 2 O ACE A 127 -2.928 -4.313 0.795 1.00 0.00 O HETATM 3 CH3 ACE A 127 -3.167 -4.724 -1.559 1.00 0.00 C HETATM 0 H1 ACE A 127 -2.857 -3.974 -2.286 1.00 0.00 H new HETATM 0 H2 ACE A 127 -2.992 -5.719 -1.968 1.00 0.00 H new HETATM 0 H3 ACE A 127 -4.228 -4.602 -1.341 1.00 0.00 H new ATOM 7 N LYS A 128 -1.030 -4.669 -0.407 1.00 0.00 N ATOM 8 CA LYS A 128 -0.083 -4.523 0.732 1.00 0.00 C ATOM 9 C LYS A 128 0.274 -3.024 0.934 1.00 0.00 C ATOM 10 O LYS A 128 0.505 -2.283 -0.028 1.00 0.00 O ATOM 11 CB LYS A 128 1.213 -5.347 0.486 1.00 0.00 C ATOM 12 CG LYS A 128 1.115 -6.878 0.699 1.00 0.00 C ATOM 13 CD LYS A 128 0.428 -7.716 -0.403 1.00 0.00 C ATOM 14 CE LYS A 128 1.178 -7.741 -1.750 1.00 0.00 C ATOM 15 NZ LYS A 128 0.477 -8.571 -2.744 1.00 0.00 N ATOM 0 H LYS A 128 -0.573 -4.866 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.567 -4.905 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 128 1.542 -5.166 -0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 128 1.992 -4.961 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 128 2.126 -7.263 0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.582 -7.053 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.315 -8.740 -0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.575 -7.323 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 128 1.279 -6.724 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 128 2.186 -8.127 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.009 -8.566 -3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 0.403 -9.547 -2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.476 -8.188 -2.906 1.00 0.00 H new ATOM 28 N CYS A 129 0.339 -2.602 2.211 1.00 0.00 N ATOM 29 CA CYS A 129 0.506 -1.179 2.593 1.00 0.00 C ATOM 30 C CYS A 129 1.964 -0.694 2.347 1.00 0.00 C ATOM 31 O CYS A 129 2.247 -0.154 1.273 1.00 0.00 O ATOM 32 CB CYS A 129 -0.025 -1.010 4.041 1.00 0.00 C ATOM 33 SG CYS A 129 -1.723 -1.601 4.211 1.00 0.00 S ATOM 0 H CYS A 129 0.278 -3.234 3.009 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.085 -0.518 1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.620 -1.556 4.730 1.00 0.00 H new ATOM 0 HB3 CYS A 129 0.023 0.041 4.325 1.00 0.00 H new ATOM 38 N THR A 130 2.863 -0.901 3.322 1.00 0.00 N ATOM 39 CA THR A 130 4.271 -0.412 3.260 1.00 0.00 C ATOM 40 C THR A 130 5.216 -1.632 3.389 1.00 0.00 C ATOM 41 O THR A 130 5.719 -1.972 4.465 1.00 0.00 O ATOM 42 CB THR A 130 4.538 0.699 4.316 1.00 0.00 C ATOM 43 OG1 THR A 130 4.249 0.253 5.639 1.00 0.00 O ATOM 44 CG2 THR A 130 3.704 1.957 4.034 1.00 0.00 C ATOM 0 H THR A 130 2.646 -1.410 4.179 1.00 0.00 H new ATOM 0 HA THR A 130 4.464 0.067 2.300 1.00 0.00 H new ATOM 0 HB THR A 130 5.599 0.939 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.629 -0.640 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 130 3.916 2.712 4.791 1.00 0.00 H new ATOM 0 HG22 THR A 130 3.959 2.349 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 130 2.644 1.704 4.061 1.00 0.00 H new ATOM 52 N SER A 131 5.410 -2.288 2.237 1.00 0.00 N ATOM 53 CA SER A 131 6.218 -3.533 2.113 1.00 0.00 C ATOM 54 C SER A 131 6.480 -3.823 0.613 1.00 0.00 C ATOM 55 O SER A 131 7.605 -3.624 0.145 1.00 0.00 O ATOM 56 CB SER A 131 5.621 -4.745 2.894 1.00 0.00 C ATOM 57 OG SER A 131 4.265 -5.011 2.550 1.00 0.00 O ATOM 0 H SER A 131 5.012 -1.976 1.351 1.00 0.00 H new ATOM 0 HA SER A 131 7.179 -3.371 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.222 -5.632 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 131 5.688 -4.550 3.964 1.00 0.00 H new ATOM 0 HG SER A 131 3.941 -5.779 3.066 1.00 0.00 H new ATOM 63 N ASP A 132 5.461 -4.287 -0.129 1.00 0.00 N ATOM 64 CA ASP A 132 5.602 -4.696 -1.552 1.00 0.00 C ATOM 65 C ASP A 132 5.383 -3.536 -2.561 1.00 0.00 C ATOM 66 O ASP A 132 6.193 -3.370 -3.479 1.00 0.00 O ATOM 67 CB ASP A 132 4.655 -5.893 -1.813 1.00 0.00 C ATOM 68 CG ASP A 132 5.102 -7.232 -1.205 1.00 0.00 C ATOM 69 OD1 ASP A 132 5.771 -8.063 -1.816 1.00 0.00 O ATOM 70 OD2 ASP A 132 4.671 -7.386 0.088 1.00 0.00 O ATOM 0 H ASP A 132 4.513 -4.392 0.233 1.00 0.00 H new ATOM 0 HA ASP A 132 6.635 -5.000 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.669 -5.646 -1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 132 4.547 -6.021 -2.890 1.00 0.00 H new ATOM 76 N GLN A 133 4.315 -2.743 -2.387 1.00 0.00 N ATOM 77 CA GLN A 133 4.013 -1.559 -3.222 1.00 0.00 C ATOM 78 C GLN A 133 4.639 -0.240 -2.645 1.00 0.00 C ATOM 79 O GLN A 133 3.961 0.786 -2.564 1.00 0.00 O ATOM 80 CB GLN A 133 2.456 -1.517 -3.315 1.00 0.00 C ATOM 81 CG GLN A 133 1.775 -2.458 -4.339 1.00 0.00 C ATOM 82 CD GLN A 133 1.580 -3.908 -3.866 1.00 0.00 C ATOM 83 OE1 GLN A 133 0.826 -4.176 -2.932 1.00 0.00 O ATOM 84 NE2 GLN A 133 2.235 -4.868 -4.501 1.00 0.00 N ATOM 0 H GLN A 133 3.624 -2.904 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 133 4.462 -1.635 -4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 133 2.054 -1.746 -2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 133 2.161 -0.494 -3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 133 0.801 -2.043 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 133 2.370 -2.467 -5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 133 2.858 -4.635 -5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 133 2.117 -5.840 -4.217 1.00 0.00 H new ATOM 93 N ASP A 134 5.951 -0.252 -2.292 1.00 0.00 N ATOM 94 CA ASP A 134 6.723 0.920 -1.764 1.00 0.00 C ATOM 95 C ASP A 134 6.219 1.423 -0.366 1.00 0.00 C ATOM 96 O ASP A 134 5.047 1.287 -0.007 1.00 0.00 O ATOM 97 CB ASP A 134 6.792 2.051 -2.840 1.00 0.00 C ATOM 98 CG ASP A 134 7.833 3.161 -2.614 1.00 0.00 C ATOM 99 OD1 ASP A 134 8.998 2.947 -2.281 1.00 0.00 O ATOM 100 OD2 ASP A 134 7.312 4.410 -2.836 1.00 0.00 O ATOM 0 H ASP A 134 6.521 -1.094 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 134 7.741 0.582 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 134 6.993 1.589 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 134 5.809 2.516 -2.907 1.00 0.00 H new ATOM 106 N GLU A 135 7.121 2.036 0.420 1.00 0.00 N ATOM 107 CA GLU A 135 6.742 2.760 1.672 1.00 0.00 C ATOM 108 C GLU A 135 6.218 4.214 1.446 1.00 0.00 C ATOM 109 O GLU A 135 5.279 4.611 2.143 1.00 0.00 O ATOM 110 CB GLU A 135 7.903 2.717 2.699 1.00 0.00 C ATOM 111 CG GLU A 135 9.251 3.370 2.306 1.00 0.00 C ATOM 112 CD GLU A 135 10.304 3.261 3.411 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.490 4.134 4.258 1.00 0.00 O ATOM 114 OE2 GLU A 135 11.007 2.085 3.344 1.00 0.00 O ATOM 0 H GLU A 135 8.121 2.051 0.220 1.00 0.00 H new ATOM 0 HA GLU A 135 5.887 2.223 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 135 7.556 3.195 3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 135 8.097 1.672 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 135 9.630 2.895 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 135 9.086 4.421 2.070 1.00 0.00 H new ATOM 122 N GLN A 136 6.776 4.992 0.490 1.00 0.00 N ATOM 123 CA GLN A 136 6.203 6.316 0.083 1.00 0.00 C ATOM 124 C GLN A 136 4.958 6.253 -0.880 1.00 0.00 C ATOM 125 O GLN A 136 4.521 7.290 -1.390 1.00 0.00 O ATOM 126 CB GLN A 136 7.347 7.171 -0.538 1.00 0.00 C ATOM 127 CG GLN A 136 8.468 7.596 0.442 1.00 0.00 C ATOM 128 CD GLN A 136 9.572 8.427 -0.231 1.00 0.00 C ATOM 129 OE1 GLN A 136 10.493 7.888 -0.843 1.00 0.00 O ATOM 130 NE2 GLN A 136 9.508 9.747 -0.133 1.00 0.00 N ATOM 0 H GLN A 136 7.622 4.735 -0.019 1.00 0.00 H new ATOM 0 HA GLN A 136 5.803 6.774 0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 136 7.797 6.606 -1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.910 8.069 -0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 136 8.031 8.174 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 136 8.912 6.705 0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.740 10.184 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 136 10.227 10.326 -0.567 1.00 0.00 H new ATOM 139 N PHE A 137 4.358 5.065 -1.074 1.00 0.00 N ATOM 140 CA PHE A 137 3.059 4.879 -1.765 1.00 0.00 C ATOM 141 C PHE A 137 2.343 3.712 -1.048 1.00 0.00 C ATOM 142 O PHE A 137 2.928 2.655 -0.806 1.00 0.00 O ATOM 143 CB PHE A 137 3.244 4.559 -3.279 1.00 0.00 C ATOM 144 CG PHE A 137 1.968 4.188 -4.077 1.00 0.00 C ATOM 145 CD1 PHE A 137 0.991 5.154 -4.345 1.00 0.00 C ATOM 146 CD2 PHE A 137 1.758 2.870 -4.511 1.00 0.00 C ATOM 147 CE1 PHE A 137 -0.128 4.832 -5.108 1.00 0.00 C ATOM 148 CE2 PHE A 137 0.642 2.553 -5.279 1.00 0.00 C ATOM 149 CZ PHE A 137 -0.292 3.537 -5.590 1.00 0.00 C ATOM 0 H PHE A 137 4.766 4.188 -0.751 1.00 0.00 H new ATOM 0 HA PHE A 137 2.474 5.798 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.703 5.425 -3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.952 3.735 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.106 6.155 -3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.466 2.098 -4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -0.869 5.587 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 137 0.500 1.543 -5.634 1.00 0.00 H new ATOM 0 HZ PHE A 137 -1.145 3.295 -6.206 1.00 0.00 H new ATOM 159 N ILE A 138 1.039 3.878 -0.796 1.00 0.00 N ATOM 160 CA ILE A 138 0.150 2.750 -0.445 1.00 0.00 C ATOM 161 C ILE A 138 -0.903 2.622 -1.620 1.00 0.00 C ATOM 162 O ILE A 138 -1.328 3.643 -2.179 1.00 0.00 O ATOM 163 CB ILE A 138 -0.425 2.870 1.004 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.486 3.990 1.203 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.713 2.998 2.059 1.00 0.00 C ATOM 166 CD1 ILE A 138 -2.911 3.530 0.857 1.00 0.00 C ATOM 0 H ILE A 138 0.570 4.783 -0.827 1.00 0.00 H new ATOM 0 HA ILE A 138 0.688 1.804 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.962 1.935 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.460 4.329 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.225 4.846 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.278 3.079 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 138 1.352 2.116 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.306 3.888 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.608 4.353 1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.949 3.218 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.188 2.692 1.497 1.00 0.00 H new ATOM 178 N PRO A 139 -1.366 1.408 -2.026 1.00 0.00 N ATOM 179 CA PRO A 139 -2.202 1.212 -3.243 1.00 0.00 C ATOM 180 C PRO A 139 -3.735 1.432 -3.047 1.00 0.00 C ATOM 181 O PRO A 139 -4.214 1.746 -1.953 1.00 0.00 O ATOM 182 CB PRO A 139 -1.813 -0.242 -3.601 1.00 0.00 C ATOM 183 CG PRO A 139 -1.578 -0.935 -2.264 1.00 0.00 C ATOM 184 CD PRO A 139 -0.971 0.148 -1.383 1.00 0.00 C ATOM 0 HA PRO A 139 -2.016 1.947 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.605 -0.734 -4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.917 -0.268 -4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -2.509 -1.315 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.905 -1.786 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -1.349 0.088 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.113 0.053 -1.328 1.00 0.00 H new ATOM 192 N LYS A 140 -4.493 1.221 -4.144 1.00 0.00 N ATOM 193 CA LYS A 140 -5.984 1.110 -4.108 1.00 0.00 C ATOM 194 C LYS A 140 -6.406 -0.361 -3.764 1.00 0.00 C ATOM 195 O LYS A 140 -6.937 -1.128 -4.573 1.00 0.00 O ATOM 196 CB LYS A 140 -6.582 1.657 -5.436 1.00 0.00 C ATOM 197 CG LYS A 140 -6.118 0.993 -6.759 1.00 0.00 C ATOM 198 CD LYS A 140 -6.703 1.613 -8.045 1.00 0.00 C ATOM 199 CE LYS A 140 -8.203 1.333 -8.263 1.00 0.00 C ATOM 200 NZ LYS A 140 -8.679 1.907 -9.534 1.00 0.00 N ATOM 0 H LYS A 140 -4.100 1.122 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.399 1.729 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -7.667 1.568 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -6.352 2.721 -5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -5.031 1.046 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.385 -0.063 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -6.548 2.692 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -6.147 1.233 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -8.378 0.257 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -8.777 1.751 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -9.692 1.701 -9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -8.534 2.937 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -8.148 1.489 -10.324 1.00 0.00 H new ATOM 213 N GLY A 141 -6.130 -0.711 -2.507 1.00 0.00 N ATOM 214 CA GLY A 141 -6.191 -2.100 -1.998 1.00 0.00 C ATOM 215 C GLY A 141 -5.950 -2.227 -0.477 1.00 0.00 C ATOM 216 O GLY A 141 -6.673 -2.959 0.204 1.00 0.00 O ATOM 0 H GLY A 141 -5.853 -0.034 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.168 -2.520 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.449 -2.701 -2.524 1.00 0.00 H new ATOM 220 N CYS A 142 -4.938 -1.508 0.039 1.00 0.00 N ATOM 221 CA CYS A 142 -4.654 -1.394 1.495 1.00 0.00 C ATOM 222 C CYS A 142 -5.781 -0.678 2.279 1.00 0.00 C ATOM 223 O CYS A 142 -6.530 -1.332 3.011 1.00 0.00 O ATOM 224 CB CYS A 142 -3.297 -0.673 1.687 1.00 0.00 C ATOM 225 SG CYS A 142 -2.981 -0.271 3.418 1.00 0.00 S ATOM 0 H CYS A 142 -4.284 -0.982 -0.541 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.604 -2.402 1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.494 -1.306 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.286 0.242 1.095 1.00 0.00 H new ATOM 230 N SER A 143 -5.852 0.656 2.143 1.00 0.00 N ATOM 231 CA SER A 143 -6.562 1.501 3.125 1.00 0.00 C ATOM 232 C SER A 143 -8.093 1.499 2.860 1.00 0.00 C ATOM 233 O SER A 143 -8.545 1.918 1.790 1.00 0.00 O ATOM 234 CB SER A 143 -6.009 2.944 3.092 1.00 0.00 C ATOM 235 OG SER A 143 -4.667 2.985 3.566 1.00 0.00 O ATOM 0 H SER A 143 -5.431 1.172 1.370 1.00 0.00 H new ATOM 0 HA SER A 143 -6.392 1.084 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 143 -6.051 3.331 2.074 1.00 0.00 H new ATOM 0 HB3 SER A 143 -6.635 3.592 3.705 1.00 0.00 H new ATOM 0 HG SER A 143 -4.271 2.091 3.504 1.00 0.00 H new ATOM 241 N LYS A 144 -8.861 1.006 3.855 1.00 0.00 N ATOM 242 CA LYS A 144 -10.349 0.877 3.812 1.00 0.00 C ATOM 243 C LYS A 144 -10.764 -0.300 2.894 1.00 0.00 C ATOM 244 O LYS A 144 -11.100 -1.401 3.331 1.00 0.00 O ATOM 245 CB LYS A 144 -11.132 2.186 3.501 1.00 0.00 C ATOM 246 CG LYS A 144 -10.939 3.298 4.557 1.00 0.00 C ATOM 247 CD LYS A 144 -11.882 4.504 4.395 1.00 0.00 C ATOM 248 CE LYS A 144 -11.570 5.404 3.183 1.00 0.00 C ATOM 249 NZ LYS A 144 -12.484 6.558 3.121 1.00 0.00 N ATOM 0 H LYS A 144 -8.463 0.677 4.734 1.00 0.00 H new ATOM 0 HA LYS A 144 -10.650 0.653 4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.817 2.564 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -12.194 1.953 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -11.085 2.869 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.908 3.650 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -12.905 4.139 4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -11.837 5.108 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -10.540 5.756 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -11.653 4.822 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -12.248 7.144 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -13.464 6.220 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -12.386 7.125 3.987 1.00 0.00 H new TER 262 LYS A 144 HETATM 263 O OH A 145 -10.713 0.009 1.555 1.00 0.00 O