USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 145 hydrogens (2 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 1 ILE N :NH3+ -154:sc= -0.377 (180deg=-2.06!) USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00231) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.408 -5.210 3.002 1.00 0.00 N ATOM 2 CA ILE A 1 -10.741 -4.910 1.701 1.00 0.00 C ATOM 3 C ILE A 1 -10.420 -3.416 1.604 1.00 0.00 C ATOM 4 O ILE A 1 -10.995 -2.601 2.298 1.00 0.00 O ATOM 5 CB ILE A 1 -11.757 -5.311 0.633 1.00 0.00 C ATOM 6 CG1 ILE A 1 -12.254 -6.732 0.910 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.098 -5.262 -0.746 1.00 0.00 C ATOM 8 CD1 ILE A 1 -11.114 -7.724 0.677 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.232 -6.201 3.262 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.026 -4.585 3.740 1.00 0.00 H new ATOM 0 H3 ILE A 1 -12.432 -5.053 2.911 1.00 0.00 H new ATOM 0 HA ILE A 1 -9.798 -5.445 1.587 1.00 0.00 H new ATOM 0 HB ILE A 1 -12.599 -4.619 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -12.614 -6.809 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -13.095 -6.968 0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -11.824 -5.548 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.744 -4.250 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -10.255 -5.952 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -11.467 -8.736 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -10.775 -7.652 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.286 -7.491 1.347 1.00 0.00 H new ATOM 22 N LEU A 2 -9.505 -3.051 0.747 1.00 0.00 N ATOM 23 CA LEU A 2 -9.149 -1.610 0.605 1.00 0.00 C ATOM 24 C LEU A 2 -7.976 -1.451 -0.364 1.00 0.00 C ATOM 25 O LEU A 2 -6.837 -1.700 -0.023 1.00 0.00 O ATOM 26 CB LEU A 2 -8.754 -1.155 2.010 1.00 0.00 C ATOM 27 CG LEU A 2 -9.508 0.128 2.362 1.00 0.00 C ATOM 28 CD1 LEU A 2 -9.785 0.163 3.866 1.00 0.00 C ATOM 29 CD2 LEU A 2 -8.659 1.341 1.973 1.00 0.00 C ATOM 0 H LEU A 2 -8.989 -3.688 0.140 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.973 -1.018 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.985 -1.936 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.679 -0.983 2.059 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.452 0.154 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.322 1.078 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.389 -0.700 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.841 0.137 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.196 2.256 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.715 1.314 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.461 1.318 0.901 1.00 0.00 H new ATOM 41 N LYS A 3 -8.252 -1.039 -1.569 1.00 0.00 N ATOM 42 CA LYS A 3 -7.161 -0.861 -2.570 1.00 0.00 C ATOM 43 C LYS A 3 -6.469 -2.196 -2.846 1.00 0.00 C ATOM 44 O LYS A 3 -5.281 -2.345 -2.645 1.00 0.00 O ATOM 45 CB LYS A 3 -6.185 0.128 -1.930 1.00 0.00 C ATOM 46 CG LYS A 3 -6.958 1.331 -1.385 1.00 0.00 C ATOM 47 CD LYS A 3 -6.072 2.575 -1.442 1.00 0.00 C ATOM 48 CE LYS A 3 -5.831 3.096 -0.024 1.00 0.00 C ATOM 49 NZ LYS A 3 -4.766 2.215 0.534 1.00 0.00 N ATOM 0 H LYS A 3 -9.189 -0.817 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.538 -0.497 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.634 -0.358 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.451 0.457 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.864 1.490 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.271 1.141 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.122 2.336 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.548 3.346 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.515 4.139 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.740 3.045 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.521 2.531 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.110 1.234 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.922 2.264 -0.072 1.00 0.00 H new ATOM 63 N LYS A 4 -7.211 -3.164 -3.316 1.00 0.00 N ATOM 64 CA LYS A 4 -6.621 -4.494 -3.621 1.00 0.00 C ATOM 65 C LYS A 4 -5.577 -4.866 -2.581 1.00 0.00 C ATOM 66 O LYS A 4 -4.395 -4.940 -2.853 1.00 0.00 O ATOM 67 CB LYS A 4 -5.998 -4.323 -4.990 1.00 0.00 C ATOM 68 CG LYS A 4 -5.791 -5.692 -5.632 1.00 0.00 C ATOM 69 CD LYS A 4 -4.358 -5.804 -6.157 1.00 0.00 C ATOM 70 CE LYS A 4 -4.007 -4.545 -6.956 1.00 0.00 C ATOM 71 NZ LYS A 4 -3.443 -5.050 -8.240 1.00 0.00 N ATOM 0 H LYS A 4 -8.211 -3.086 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.359 -5.296 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.641 -3.708 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.044 -3.802 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.984 -6.479 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.500 -5.833 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.663 -5.926 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.258 -6.687 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.889 -3.927 -7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.284 -3.927 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.178 -4.245 -8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.601 -5.629 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.156 -5.629 -8.728 1.00 0.00 H new ATOM 85 N TRP A 5 -6.021 -5.101 -1.392 1.00 0.00 N ATOM 86 CA TRP A 5 -5.086 -5.476 -0.293 1.00 0.00 C ATOM 87 C TRP A 5 -3.948 -4.456 -0.196 1.00 0.00 C ATOM 88 O TRP A 5 -3.050 -4.447 -1.014 1.00 0.00 O ATOM 89 CB TRP A 5 -4.543 -6.847 -0.689 1.00 0.00 C ATOM 90 CG TRP A 5 -5.452 -7.914 -0.167 1.00 0.00 C ATOM 91 CD1 TRP A 5 -6.229 -8.716 -0.930 1.00 0.00 C ATOM 92 CD2 TRP A 5 -5.690 -8.307 1.216 1.00 0.00 C ATOM 93 NE1 TRP A 5 -6.929 -9.577 -0.103 1.00 0.00 N ATOM 94 CE2 TRP A 5 -6.631 -9.363 1.229 1.00 0.00 C ATOM 95 CE3 TRP A 5 -5.185 -7.852 2.447 1.00 0.00 C ATOM 96 CZ2 TRP A 5 -7.055 -9.949 2.421 1.00 0.00 C ATOM 97 CZ3 TRP A 5 -5.611 -8.440 3.650 1.00 0.00 C ATOM 98 CH2 TRP A 5 -6.544 -9.486 3.637 1.00 0.00 C ATOM 0 H TRP A 5 -7.003 -5.051 -1.122 1.00 0.00 H new ATOM 0 HA TRP A 5 -5.578 -5.497 0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -4.465 -6.920 -1.774 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -3.539 -6.982 -0.288 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.293 -8.689 -2.008 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.585 -10.283 -0.436 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.466 -7.046 2.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -7.773 -10.755 2.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -5.217 -8.084 4.590 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -6.868 -9.934 4.565 1.00 0.00 H new ATOM 109 N PRO A 6 -4.027 -3.627 0.809 1.00 0.00 N ATOM 110 CA PRO A 6 -2.991 -2.589 1.022 1.00 0.00 C ATOM 111 C PRO A 6 -1.693 -3.223 1.527 1.00 0.00 C ATOM 112 O PRO A 6 -1.422 -3.251 2.710 1.00 0.00 O ATOM 113 CB PRO A 6 -3.605 -1.683 2.083 1.00 0.00 C ATOM 114 CG PRO A 6 -4.586 -2.546 2.811 1.00 0.00 C ATOM 115 CD PRO A 6 -5.079 -3.581 1.831 1.00 0.00 C ATOM 0 HA PRO A 6 -2.729 -2.052 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.843 -1.295 2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.097 -0.822 1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.116 -3.023 3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.415 -1.950 3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.215 -4.551 2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.041 -3.299 1.402 1.00 0.00 H new ATOM 123 N TRP A 7 -0.892 -3.728 0.634 1.00 0.00 N ATOM 124 CA TRP A 7 0.391 -4.363 1.054 1.00 0.00 C ATOM 125 C TRP A 7 1.560 -3.754 0.285 1.00 0.00 C ATOM 126 O TRP A 7 2.308 -4.441 -0.384 1.00 0.00 O ATOM 127 CB TRP A 7 0.237 -5.838 0.705 1.00 0.00 C ATOM 128 CG TRP A 7 0.142 -6.641 1.961 1.00 0.00 C ATOM 129 CD1 TRP A 7 -1.013 -7.056 2.531 1.00 0.00 C ATOM 130 CD2 TRP A 7 1.219 -7.133 2.811 1.00 0.00 C ATOM 131 NE1 TRP A 7 -0.714 -7.771 3.677 1.00 0.00 N ATOM 132 CE2 TRP A 7 0.649 -7.847 3.891 1.00 0.00 C ATOM 133 CE3 TRP A 7 2.620 -7.030 2.748 1.00 0.00 C ATOM 134 CZ2 TRP A 7 1.441 -8.437 4.876 1.00 0.00 C ATOM 135 CZ3 TRP A 7 3.421 -7.623 3.739 1.00 0.00 C ATOM 136 CH2 TRP A 7 2.832 -8.325 4.800 1.00 0.00 C ATOM 0 H TRP A 7 -1.068 -3.730 -0.371 1.00 0.00 H new ATOM 0 HA TRP A 7 0.595 -4.213 2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.655 -5.987 0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.087 -6.172 0.111 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.006 -6.861 2.153 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.414 -8.191 4.289 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.083 -6.492 1.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.983 -8.977 5.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.496 -7.537 3.683 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.453 -8.779 5.558 1.00 0.00 H new ATOM 147 N TRP A 8 1.721 -2.470 0.378 1.00 0.00 N ATOM 148 CA TRP A 8 2.838 -1.798 -0.342 1.00 0.00 C ATOM 149 C TRP A 8 3.988 -1.505 0.625 1.00 0.00 C ATOM 150 O TRP A 8 3.868 -0.666 1.497 1.00 0.00 O ATOM 151 CB TRP A 8 2.243 -0.497 -0.876 1.00 0.00 C ATOM 152 CG TRP A 8 3.046 -0.024 -2.044 1.00 0.00 C ATOM 153 CD1 TRP A 8 3.879 1.040 -2.033 1.00 0.00 C ATOM 154 CD2 TRP A 8 3.107 -0.579 -3.390 1.00 0.00 C ATOM 155 NE1 TRP A 8 4.446 1.177 -3.288 1.00 0.00 N ATOM 156 CE2 TRP A 8 4.001 0.201 -4.159 1.00 0.00 C ATOM 157 CE3 TRP A 8 2.479 -1.673 -4.012 1.00 0.00 C ATOM 158 CZ2 TRP A 8 4.264 -0.091 -5.498 1.00 0.00 C ATOM 159 CZ3 TRP A 8 2.740 -1.971 -5.358 1.00 0.00 C ATOM 160 CH2 TRP A 8 3.631 -1.182 -6.101 1.00 0.00 C ATOM 0 H TRP A 8 1.124 -1.849 0.925 1.00 0.00 H new ATOM 0 HA TRP A 8 3.244 -2.417 -1.142 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.206 -0.654 -1.174 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.238 0.261 -0.093 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.071 1.679 -1.184 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.111 1.909 -3.539 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.791 -2.288 -3.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 4.951 0.521 -6.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.252 -2.813 -5.825 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.827 -1.417 -7.137 1.00 0.00 H new ATOM 171 N PRO A 9 5.070 -2.211 0.437 1.00 0.00 N ATOM 172 CA PRO A 9 6.258 -2.034 1.295 1.00 0.00 C ATOM 173 C PRO A 9 7.145 -0.905 0.766 1.00 0.00 C ATOM 174 O PRO A 9 8.346 -0.904 0.949 1.00 0.00 O ATOM 175 CB PRO A 9 6.966 -3.377 1.189 1.00 0.00 C ATOM 176 CG PRO A 9 6.531 -3.964 -0.125 1.00 0.00 C ATOM 177 CD PRO A 9 5.286 -3.238 -0.581 1.00 0.00 C ATOM 0 HA PRO A 9 6.011 -1.762 2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.048 -3.253 1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.694 -4.030 2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.323 -3.862 -0.867 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.331 -5.030 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.423 -2.796 -1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.434 -3.915 -0.650 1.00 0.00 H new ATOM 185 N TRP A 10 6.558 0.048 0.110 1.00 0.00 N ATOM 186 CA TRP A 10 7.346 1.181 -0.442 1.00 0.00 C ATOM 187 C TRP A 10 7.108 2.444 0.386 1.00 0.00 C ATOM 188 O TRP A 10 8.031 3.150 0.745 1.00 0.00 O ATOM 189 CB TRP A 10 6.814 1.362 -1.859 1.00 0.00 C ATOM 190 CG TRP A 10 7.954 1.422 -2.816 1.00 0.00 C ATOM 191 CD1 TRP A 10 8.858 2.423 -2.902 1.00 0.00 C ATOM 192 CD2 TRP A 10 8.320 0.450 -3.825 1.00 0.00 C ATOM 193 NE1 TRP A 10 9.761 2.121 -3.908 1.00 0.00 N ATOM 194 CE2 TRP A 10 9.467 0.910 -4.507 1.00 0.00 C ATOM 195 CE3 TRP A 10 7.764 -0.776 -4.203 1.00 0.00 C ATOM 196 CZ2 TRP A 10 10.047 0.171 -5.538 1.00 0.00 C ATOM 197 CZ3 TRP A 10 8.340 -1.528 -5.241 1.00 0.00 C ATOM 198 CH2 TRP A 10 9.482 -1.055 -5.908 1.00 0.00 C ATOM 0 H TRP A 10 5.555 0.093 -0.071 1.00 0.00 H new ATOM 0 HA TRP A 10 8.419 0.992 -0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.152 0.536 -2.118 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.224 2.276 -1.923 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.874 3.311 -2.288 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.545 2.717 -4.174 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.887 -1.147 -3.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 10.925 0.542 -6.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 7.903 -2.473 -5.527 1.00 0.00 H new ATOM 0 HH2 TRP A 10 9.923 -1.636 -6.704 1.00 0.00 H new ATOM 209 N ARG A 11 5.875 2.731 0.687 1.00 0.00 N ATOM 210 CA ARG A 11 5.562 3.945 1.488 1.00 0.00 C ATOM 211 C ARG A 11 4.810 3.551 2.757 1.00 0.00 C ATOM 212 O ARG A 11 3.677 3.939 2.971 1.00 0.00 O ATOM 213 CB ARG A 11 4.680 4.799 0.580 1.00 0.00 C ATOM 214 CG ARG A 11 5.530 5.875 -0.097 1.00 0.00 C ATOM 215 CD ARG A 11 5.793 7.015 0.890 1.00 0.00 C ATOM 216 NE ARG A 11 6.382 8.107 0.068 1.00 0.00 N ATOM 217 CZ ARG A 11 7.482 8.694 0.455 1.00 0.00 C ATOM 218 NH1 ARG A 11 8.552 7.986 0.690 1.00 0.00 N ATOM 219 NH2 ARG A 11 7.511 9.991 0.607 1.00 0.00 N ATOM 0 H ARG A 11 5.066 2.174 0.412 1.00 0.00 H new ATOM 0 HA ARG A 11 6.457 4.481 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.201 4.172 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.884 5.263 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.474 5.448 -0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.017 6.256 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.872 7.338 1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.476 6.703 1.680 1.00 0.00 H new ATOM 0 HE ARG A 11 5.926 8.397 -0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.530 6.973 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.411 8.445 0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.674 10.545 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.370 10.450 0.909 1.00 0.00 H new ATOM 233 N ARG A 12 5.436 2.783 3.597 1.00 0.00 N ATOM 234 CA ARG A 12 4.772 2.351 4.859 1.00 0.00 C ATOM 235 C ARG A 12 4.415 3.570 5.713 1.00 0.00 C ATOM 236 O ARG A 12 5.212 4.471 5.891 1.00 0.00 O ATOM 237 CB ARG A 12 5.807 1.480 5.574 1.00 0.00 C ATOM 238 CG ARG A 12 5.146 0.772 6.757 1.00 0.00 C ATOM 239 CD ARG A 12 6.122 -0.247 7.352 1.00 0.00 C ATOM 240 NE ARG A 12 5.707 -0.393 8.774 1.00 0.00 N ATOM 241 CZ ARG A 12 6.309 -1.256 9.545 1.00 0.00 C ATOM 242 NH1 ARG A 12 7.545 -1.598 9.300 1.00 0.00 N ATOM 243 NH2 ARG A 12 5.678 -1.777 10.562 1.00 0.00 N ATOM 0 H ARG A 12 6.385 2.432 3.466 1.00 0.00 H new ATOM 0 HA ARG A 12 3.844 1.811 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.221 0.746 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.637 2.094 5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.857 1.500 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.234 0.271 6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.068 -1.200 6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.152 0.101 7.275 1.00 0.00 H new ATOM 0 HE ARG A 12 4.951 0.182 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.039 -1.190 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.016 -2.273 9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.713 -1.509 10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.150 -2.452 11.164 1.00 0.00 H new ATOM 257 N LYS A 13 3.222 3.607 6.242 1.00 0.00 N ATOM 258 CA LYS A 13 2.816 4.769 7.085 1.00 0.00 C ATOM 259 C LYS A 13 1.588 4.406 7.924 1.00 0.00 C ATOM 260 O LYS A 13 0.473 4.745 7.578 1.00 0.00 O ATOM 261 CB LYS A 13 2.478 5.880 6.092 1.00 0.00 C ATOM 262 CG LYS A 13 3.552 6.967 6.158 1.00 0.00 C ATOM 263 CD LYS A 13 2.908 8.300 6.548 1.00 0.00 C ATOM 264 CE LYS A 13 3.834 9.057 7.503 1.00 0.00 C ATOM 265 NZ LYS A 13 3.775 10.474 7.052 1.00 0.00 N ATOM 0 H LYS A 13 2.512 2.884 6.127 1.00 0.00 H new ATOM 0 HA LYS A 13 3.599 5.070 7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.418 5.474 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.501 6.304 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.316 6.694 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.050 7.060 5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.719 8.899 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.943 8.124 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.502 8.957 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.852 8.670 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.385 11.057 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.103 10.539 6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.795 10.818 7.114 1.00 0.00 H new HETATM 279 N NH2 A 14 1.746 3.723 9.025 1.00 0.00 N TER 282 NH2 A 14