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 180:sc= 0.238 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 39:sc= 0.298 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -2.841 -3.243 3.117 1.00 0.00 C HETATM 2 O ACE A 127 -1.702 -3.359 3.576 1.00 0.00 O HETATM 3 CH3 ACE A 127 -4.050 -3.245 4.053 1.00 0.00 C HETATM 0 H1 ACE A 127 -4.592 -2.305 3.950 1.00 0.00 H new HETATM 0 H2 ACE A 127 -4.709 -4.074 3.794 1.00 0.00 H new HETATM 0 H3 ACE A 127 -3.712 -3.358 5.083 1.00 0.00 H new ATOM 7 N LYS A 128 -3.112 -3.113 1.810 1.00 0.00 N ATOM 8 CA LYS A 128 -2.062 -3.120 0.753 1.00 0.00 C ATOM 9 C LYS A 128 -1.608 -1.657 0.486 1.00 0.00 C ATOM 10 O LYS A 128 -2.227 -0.927 -0.294 1.00 0.00 O ATOM 11 CB LYS A 128 -2.611 -3.780 -0.541 1.00 0.00 C ATOM 12 CG LYS A 128 -2.907 -5.292 -0.424 1.00 0.00 C ATOM 13 CD LYS A 128 -3.493 -5.888 -1.718 1.00 0.00 C ATOM 14 CE LYS A 128 -3.812 -7.388 -1.583 1.00 0.00 C ATOM 15 NZ LYS A 128 -4.377 -7.933 -2.830 1.00 0.00 N ATOM 0 H LYS A 128 -4.058 -3.000 1.446 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.203 -3.704 1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -3.527 -3.267 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.890 -3.627 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.987 -5.819 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -3.606 -5.458 0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -4.402 -5.349 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -2.786 -5.742 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -2.904 -7.933 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -4.517 -7.539 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -4.581 -8.945 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -5.257 -7.429 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -3.693 -7.810 -3.604 1.00 0.00 H new ATOM 28 N CYS A 129 -0.528 -1.253 1.172 1.00 0.00 N ATOM 29 CA CYS A 129 0.021 0.130 1.114 1.00 0.00 C ATOM 30 C CYS A 129 1.464 0.116 0.532 1.00 0.00 C ATOM 31 O CYS A 129 1.688 0.643 -0.561 1.00 0.00 O ATOM 32 CB CYS A 129 -0.081 0.785 2.513 1.00 0.00 C ATOM 33 SG CYS A 129 -1.782 0.775 3.127 1.00 0.00 S ATOM 0 H CYS A 129 -0.001 -1.872 1.788 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.568 0.745 0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.563 0.252 3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 129 0.283 1.811 2.463 1.00 0.00 H new ATOM 38 N THR A 130 2.426 -0.488 1.254 1.00 0.00 N ATOM 39 CA THR A 130 3.833 -0.646 0.799 1.00 0.00 C ATOM 40 C THR A 130 4.033 -2.125 0.346 1.00 0.00 C ATOM 41 O THR A 130 3.869 -3.060 1.139 1.00 0.00 O ATOM 42 CB THR A 130 4.831 -0.165 1.900 1.00 0.00 C ATOM 43 OG1 THR A 130 6.157 -0.259 1.391 1.00 0.00 O ATOM 44 CG2 THR A 130 4.809 -0.909 3.252 1.00 0.00 C ATOM 0 H THR A 130 2.254 -0.885 2.178 1.00 0.00 H new ATOM 0 HA THR A 130 4.046 -0.009 -0.060 1.00 0.00 H new ATOM 0 HB THR A 130 4.501 0.850 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 130 6.792 0.042 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 130 5.551 -0.471 3.920 1.00 0.00 H new ATOM 0 HG22 THR A 130 3.819 -0.820 3.700 1.00 0.00 H new ATOM 0 HG23 THR A 130 5.041 -1.962 3.092 1.00 0.00 H new ATOM 52 N SER A 131 4.390 -2.322 -0.938 1.00 0.00 N ATOM 53 CA SER A 131 4.649 -3.673 -1.510 1.00 0.00 C ATOM 54 C SER A 131 6.107 -4.109 -1.167 1.00 0.00 C ATOM 55 O SER A 131 6.285 -4.900 -0.236 1.00 0.00 O ATOM 56 CB SER A 131 4.290 -3.652 -3.017 1.00 0.00 C ATOM 57 OG SER A 131 4.441 -4.946 -3.586 1.00 0.00 O ATOM 0 H SER A 131 4.508 -1.562 -1.608 1.00 0.00 H new ATOM 0 HA SER A 131 4.015 -4.441 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.263 -3.309 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.932 -2.942 -3.539 1.00 0.00 H new ATOM 0 HG SER A 131 4.208 -4.914 -4.537 1.00 0.00 H new ATOM 63 N ASP A 132 7.128 -3.580 -1.874 1.00 0.00 N ATOM 64 CA ASP A 132 8.563 -3.789 -1.529 1.00 0.00 C ATOM 65 C ASP A 132 8.996 -2.579 -0.644 1.00 0.00 C ATOM 66 O ASP A 132 9.043 -2.724 0.582 1.00 0.00 O ATOM 67 CB ASP A 132 9.418 -4.096 -2.799 1.00 0.00 C ATOM 68 CG ASP A 132 9.396 -3.103 -3.980 1.00 0.00 C ATOM 69 OD1 ASP A 132 8.456 -3.010 -4.769 1.00 0.00 O ATOM 70 OD2 ASP A 132 10.537 -2.345 -4.046 1.00 0.00 O ATOM 0 H ASP A 132 6.989 -2.997 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 132 8.735 -4.686 -0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 132 10.455 -4.202 -2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.102 -5.067 -3.181 1.00 0.00 H new ATOM 76 N GLN A 133 9.261 -1.400 -1.240 1.00 0.00 N ATOM 77 CA GLN A 133 9.429 -0.127 -0.498 1.00 0.00 C ATOM 78 C GLN A 133 8.702 0.938 -1.366 1.00 0.00 C ATOM 79 O GLN A 133 9.314 1.589 -2.220 1.00 0.00 O ATOM 80 CB GLN A 133 10.930 0.176 -0.231 1.00 0.00 C ATOM 81 CG GLN A 133 11.150 1.401 0.688 1.00 0.00 C ATOM 82 CD GLN A 133 12.632 1.689 0.973 1.00 0.00 C ATOM 83 OE1 GLN A 133 13.246 1.074 1.844 1.00 0.00 O ATOM 84 NE2 GLN A 133 13.234 2.627 0.257 1.00 0.00 N ATOM 0 H GLN A 133 9.365 -1.299 -2.250 1.00 0.00 H new ATOM 0 HA GLN A 133 8.995 -0.151 0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 133 11.396 -0.699 0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 133 11.434 0.348 -1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.699 2.279 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.631 1.236 1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 133 12.716 3.131 -0.463 1.00 0.00 H new ATOM 0 HE22 GLN A 133 14.216 2.845 0.425 1.00 0.00 H new ATOM 93 N ASP A 134 7.381 1.079 -1.146 1.00 0.00 N ATOM 94 CA ASP A 134 6.524 2.030 -1.906 1.00 0.00 C ATOM 95 C ASP A 134 5.908 3.016 -0.875 1.00 0.00 C ATOM 96 O ASP A 134 4.757 2.881 -0.449 1.00 0.00 O ATOM 97 CB ASP A 134 5.454 1.259 -2.733 1.00 0.00 C ATOM 98 CG ASP A 134 6.020 0.434 -3.901 1.00 0.00 C ATOM 99 OD1 ASP A 134 6.452 -0.712 -3.773 1.00 0.00 O ATOM 100 OD2 ASP A 134 5.992 1.124 -5.085 1.00 0.00 O ATOM 0 H ASP A 134 6.873 0.543 -0.442 1.00 0.00 H new ATOM 0 HA ASP A 134 7.101 2.597 -2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.909 0.592 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.733 1.975 -3.127 1.00 0.00 H new ATOM 106 N GLU A 135 6.709 4.024 -0.480 1.00 0.00 N ATOM 107 CA GLU A 135 6.309 5.044 0.533 1.00 0.00 C ATOM 108 C GLU A 135 5.394 6.142 -0.091 1.00 0.00 C ATOM 109 O GLU A 135 4.295 6.366 0.426 1.00 0.00 O ATOM 110 CB GLU A 135 7.577 5.648 1.203 1.00 0.00 C ATOM 111 CG GLU A 135 8.368 4.647 2.079 1.00 0.00 C ATOM 112 CD GLU A 135 9.654 5.245 2.655 1.00 0.00 C ATOM 113 OE1 GLU A 135 9.695 5.869 3.715 1.00 0.00 O ATOM 114 OE2 GLU A 135 10.743 5.001 1.857 1.00 0.00 O ATOM 0 H GLU A 135 7.651 4.162 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 135 5.717 4.556 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.237 6.034 0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.280 6.497 1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.733 4.308 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.617 3.769 1.483 1.00 0.00 H new ATOM 122 N GLN A 136 5.816 6.788 -1.200 1.00 0.00 N ATOM 123 CA GLN A 136 4.956 7.733 -1.970 1.00 0.00 C ATOM 124 C GLN A 136 3.801 7.063 -2.799 1.00 0.00 C ATOM 125 O GLN A 136 2.814 7.748 -3.085 1.00 0.00 O ATOM 126 CB GLN A 136 5.909 8.569 -2.872 1.00 0.00 C ATOM 127 CG GLN A 136 5.281 9.828 -3.514 1.00 0.00 C ATOM 128 CD GLN A 136 6.288 10.660 -4.326 1.00 0.00 C ATOM 129 OE1 GLN A 136 7.004 11.502 -3.784 1.00 0.00 O ATOM 130 NE2 GLN A 136 6.365 10.448 -5.632 1.00 0.00 N ATOM 0 H GLN A 136 6.752 6.676 -1.589 1.00 0.00 H new ATOM 0 HA GLN A 136 4.412 8.359 -1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.769 8.876 -2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.286 7.926 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 136 4.461 9.525 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 136 4.852 10.452 -2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 136 5.767 9.748 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.022 10.985 -6.198 1.00 0.00 H new ATOM 139 N PHE A 137 3.899 5.763 -3.156 1.00 0.00 N ATOM 140 CA PHE A 137 2.861 5.043 -3.934 1.00 0.00 C ATOM 141 C PHE A 137 2.088 4.090 -2.981 1.00 0.00 C ATOM 142 O PHE A 137 2.678 3.259 -2.285 1.00 0.00 O ATOM 143 CB PHE A 137 3.537 4.269 -5.109 1.00 0.00 C ATOM 144 CG PHE A 137 2.571 3.406 -5.953 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.699 4.002 -6.872 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.484 2.026 -5.723 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.753 3.231 -7.545 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.538 1.259 -6.397 1.00 0.00 C ATOM 149 CZ PHE A 137 0.672 1.861 -7.305 1.00 0.00 C ATOM 0 H PHE A 137 4.701 5.181 -2.913 1.00 0.00 H new ATOM 0 HA PHE A 137 2.147 5.744 -4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 137 4.028 4.988 -5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.316 3.625 -4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.760 5.064 -7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 137 3.154 1.555 -5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 137 0.083 3.696 -8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 137 1.476 0.196 -6.215 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.064 1.265 -7.824 1.00 0.00 H new ATOM 159 N ILE A 138 0.750 4.197 -3.018 1.00 0.00 N ATOM 160 CA ILE A 138 -0.160 3.250 -2.318 1.00 0.00 C ATOM 161 C ILE A 138 -1.150 2.685 -3.402 1.00 0.00 C ATOM 162 O ILE A 138 -1.803 3.488 -4.080 1.00 0.00 O ATOM 163 CB ILE A 138 -0.876 3.850 -1.056 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.770 5.106 -1.312 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.162 4.160 0.055 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.268 4.804 -1.466 1.00 0.00 C ATOM 0 H ILE A 138 0.262 4.934 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 138 0.423 2.439 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.570 3.071 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.637 5.805 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.419 5.608 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.348 4.575 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.675 3.242 0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.889 4.881 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.810 5.733 -1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.419 4.132 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.639 4.332 -0.556 1.00 0.00 H new ATOM 178 N PRO A 139 -1.314 1.343 -3.608 1.00 0.00 N ATOM 179 CA PRO A 139 -2.263 0.779 -4.606 1.00 0.00 C ATOM 180 C PRO A 139 -3.756 0.787 -4.140 1.00 0.00 C ATOM 181 O PRO A 139 -4.094 1.222 -3.032 1.00 0.00 O ATOM 182 CB PRO A 139 -1.668 -0.634 -4.813 1.00 0.00 C ATOM 183 CG PRO A 139 -1.043 -1.017 -3.473 1.00 0.00 C ATOM 184 CD PRO A 139 -0.517 0.308 -2.929 1.00 0.00 C ATOM 0 HA PRO A 139 -2.338 1.361 -5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.441 -1.346 -5.103 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.922 -0.633 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.777 -1.463 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.242 -1.745 -3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.636 0.365 -1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.546 0.427 -3.140 1.00 0.00 H new ATOM 192 N LYS A 140 -4.642 0.280 -5.022 1.00 0.00 N ATOM 193 CA LYS A 140 -6.096 0.156 -4.756 1.00 0.00 C ATOM 194 C LYS A 140 -6.331 -0.981 -3.716 1.00 0.00 C ATOM 195 O LYS A 140 -6.161 -2.172 -4.000 1.00 0.00 O ATOM 196 CB LYS A 140 -6.824 -0.099 -6.104 1.00 0.00 C ATOM 197 CG LYS A 140 -8.366 -0.040 -6.023 1.00 0.00 C ATOM 198 CD LYS A 140 -9.051 -0.265 -7.388 1.00 0.00 C ATOM 199 CE LYS A 140 -10.593 -0.256 -7.349 1.00 0.00 C ATOM 200 NZ LYS A 140 -11.164 1.082 -7.097 1.00 0.00 N ATOM 0 H LYS A 140 -4.370 -0.058 -5.945 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.504 1.071 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.483 0.638 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -6.530 -1.079 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -8.716 -0.794 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -8.667 0.930 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.715 0.508 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -8.718 -1.221 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -10.976 -0.634 -8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -10.934 -0.941 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -12.202 1.019 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.826 1.436 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.867 1.734 -7.851 1.00 0.00 H new ATOM 213 N GLY A 141 -6.712 -0.545 -2.511 1.00 0.00 N ATOM 214 CA GLY A 141 -6.876 -1.426 -1.329 1.00 0.00 C ATOM 215 C GLY A 141 -5.977 -1.140 -0.100 1.00 0.00 C ATOM 216 O GLY A 141 -5.820 -2.039 0.727 1.00 0.00 O ATOM 0 H GLY A 141 -6.919 0.435 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.916 -1.369 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.697 -2.453 -1.646 1.00 0.00 H new ATOM 220 N CYS A 142 -5.432 0.083 0.060 1.00 0.00 N ATOM 221 CA CYS A 142 -4.652 0.483 1.269 1.00 0.00 C ATOM 222 C CYS A 142 -5.529 0.683 2.539 1.00 0.00 C ATOM 223 O CYS A 142 -5.240 0.069 3.571 1.00 0.00 O ATOM 224 CB CYS A 142 -3.815 1.734 0.922 1.00 0.00 C ATOM 225 SG CYS A 142 -2.843 2.284 2.343 1.00 0.00 S ATOM 0 H CYS A 142 -5.514 0.824 -0.636 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.986 -0.338 1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.150 1.510 0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.475 2.538 0.596 1.00 0.00 H new ATOM 230 N SER A 143 -6.584 1.514 2.459 1.00 0.00 N ATOM 231 CA SER A 143 -7.547 1.725 3.569 1.00 0.00 C ATOM 232 C SER A 143 -8.735 0.735 3.399 1.00 0.00 C ATOM 233 O SER A 143 -9.684 0.991 2.648 1.00 0.00 O ATOM 234 CB SER A 143 -7.985 3.210 3.611 1.00 0.00 C ATOM 235 OG SER A 143 -8.601 3.645 2.401 1.00 0.00 O ATOM 0 H SER A 143 -6.798 2.061 1.625 1.00 0.00 H new ATOM 0 HA SER A 143 -7.085 1.515 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 143 -8.680 3.354 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 143 -7.114 3.834 3.813 1.00 0.00 H new ATOM 0 HG SER A 143 -9.173 2.931 2.050 1.00 0.00 H new ATOM 241 N LYS A 144 -8.648 -0.412 4.100 1.00 0.00 N ATOM 242 CA LYS A 144 -9.665 -1.493 4.022 1.00 0.00 C ATOM 243 C LYS A 144 -10.690 -1.289 5.160 1.00 0.00 C ATOM 244 O LYS A 144 -10.447 -1.487 6.352 1.00 0.00 O ATOM 245 CB LYS A 144 -9.001 -2.894 4.115 1.00 0.00 C ATOM 246 CG LYS A 144 -8.108 -3.280 2.914 1.00 0.00 C ATOM 247 CD LYS A 144 -7.579 -4.725 2.996 1.00 0.00 C ATOM 248 CE LYS A 144 -6.679 -5.104 1.805 1.00 0.00 C ATOM 249 NZ LYS A 144 -6.211 -6.497 1.900 1.00 0.00 N ATOM 250 OXT LYS A 144 -11.901 -0.850 4.688 1.00 0.00 O ATOM 0 H LYS A 144 -7.877 -0.620 4.735 1.00 0.00 H new ATOM 0 HA LYS A 144 -10.174 -1.445 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -8.399 -2.933 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -9.785 -3.644 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -8.677 -3.159 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -7.264 -2.593 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -7.018 -4.849 3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -8.423 -5.413 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.230 -4.967 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -5.821 -4.433 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -5.608 -6.717 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.664 -6.621 2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.030 -7.138 1.909 1.00 0.00 H new TER 264 LYS A 144