USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 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 LYS N :NH3+ 154:sc= 0.0161 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00799) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.2) USER MOD Single : A 9 THR OG1 : rot -35:sc= 1.01 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.121 8.061 -12.580 1.00 0.00 N ATOM 2 CA LYS A 1 -14.399 7.724 -13.841 1.00 0.00 C ATOM 3 C LYS A 1 -13.458 6.532 -13.613 1.00 0.00 C ATOM 4 O LYS A 1 -12.881 6.412 -12.529 1.00 0.00 O ATOM 5 CB LYS A 1 -13.614 8.938 -14.401 1.00 0.00 C ATOM 6 CG LYS A 1 -14.050 9.369 -15.816 1.00 0.00 C ATOM 7 CD LYS A 1 -15.325 10.238 -15.864 1.00 0.00 C ATOM 8 CE LYS A 1 -16.571 9.550 -16.445 1.00 0.00 C ATOM 9 NZ LYS A 1 -16.424 9.237 -17.894 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.391 9.065 -12.592 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.976 7.474 -12.502 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.500 7.880 -11.765 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.146 7.450 -14.586 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.737 9.781 -13.722 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.552 8.694 -14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.233 9.921 -16.280 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.213 8.475 -16.419 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -15.554 10.573 -14.852 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.114 11.130 -16.455 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.764 8.629 -15.895 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.438 10.194 -16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.324 8.868 -18.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.166 10.101 -18.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -15.679 8.522 -18.021 1.00 0.00 H new ATOM 25 N LYS A 2 -13.287 5.651 -14.612 1.00 0.00 N ATOM 26 CA LYS A 2 -12.479 4.415 -14.529 1.00 0.00 C ATOM 27 C LYS A 2 -11.438 4.352 -15.661 1.00 0.00 C ATOM 28 O LYS A 2 -11.735 3.874 -16.757 1.00 0.00 O ATOM 29 CB LYS A 2 -13.428 3.196 -14.472 1.00 0.00 C ATOM 30 CG LYS A 2 -12.784 2.000 -13.751 1.00 0.00 C ATOM 31 CD LYS A 2 -13.741 0.807 -13.587 1.00 0.00 C ATOM 32 CE LYS A 2 -14.906 1.124 -12.636 1.00 0.00 C ATOM 33 NZ LYS A 2 -15.768 -0.065 -12.401 1.00 0.00 N ATOM 0 H LYS A 2 -13.718 5.779 -15.528 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.891 4.407 -13.611 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.348 3.476 -13.959 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.704 2.903 -15.485 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.904 1.678 -14.308 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.439 2.319 -12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.137 0.524 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.187 -0.051 -13.207 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.511 1.480 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.507 1.931 -13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.542 0.190 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.165 -0.390 -13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.201 -0.827 -11.978 1.00 0.00 H new ATOM 47 N LYS A 3 -10.237 4.896 -15.413 1.00 0.00 N ATOM 48 CA LYS A 3 -9.150 5.027 -16.410 1.00 0.00 C ATOM 49 C LYS A 3 -8.614 3.667 -16.873 1.00 0.00 C ATOM 50 O LYS A 3 -8.706 3.338 -18.056 1.00 0.00 O ATOM 51 CB LYS A 3 -8.012 5.926 -15.888 1.00 0.00 C ATOM 52 CG LYS A 3 -8.480 7.352 -15.539 1.00 0.00 C ATOM 53 CD LYS A 3 -7.496 8.453 -15.967 1.00 0.00 C ATOM 54 CE LYS A 3 -6.086 8.267 -15.388 1.00 0.00 C ATOM 55 NZ LYS A 3 -5.238 9.463 -15.636 1.00 0.00 N ATOM 0 H LYS A 3 -9.984 5.266 -14.497 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.586 5.510 -17.285 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.572 5.468 -15.002 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.227 5.982 -16.642 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.443 7.534 -16.015 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.639 7.419 -14.463 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.435 8.473 -17.055 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.886 9.421 -15.652 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.152 8.082 -14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.620 7.389 -15.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.292 9.307 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.156 9.624 -16.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.672 10.295 -15.188 1.00 0.00 H new ATOM 69 N ASN A 4 -8.054 2.886 -15.946 1.00 0.00 N ATOM 70 CA ASN A 4 -7.579 1.516 -16.169 1.00 0.00 C ATOM 71 C ASN A 4 -7.621 0.697 -14.862 1.00 0.00 C ATOM 72 O ASN A 4 -7.606 1.267 -13.769 1.00 0.00 O ATOM 73 CB ASN A 4 -6.147 1.579 -16.748 1.00 0.00 C ATOM 74 CG ASN A 4 -5.704 0.268 -17.383 1.00 0.00 C ATOM 75 OD1 ASN A 4 -6.501 -0.522 -17.867 1.00 0.00 O ATOM 76 ND2 ASN A 4 -4.423 -0.017 -17.392 1.00 0.00 N ATOM 0 H ASN A 4 -7.913 3.200 -14.986 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.234 1.011 -16.879 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.097 2.373 -17.494 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.451 1.845 -15.953 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.098 -0.893 -17.801 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.752 0.638 -16.990 1.00 0.00 H new ATOM 83 N TRP A 5 -7.611 -0.636 -14.956 1.00 0.00 N ATOM 84 CA TRP A 5 -7.593 -1.537 -13.791 1.00 0.00 C ATOM 85 C TRP A 5 -6.334 -1.364 -12.919 1.00 0.00 C ATOM 86 O TRP A 5 -6.407 -1.443 -11.692 1.00 0.00 O ATOM 87 CB TRP A 5 -7.729 -2.993 -14.265 1.00 0.00 C ATOM 88 CG TRP A 5 -6.511 -3.567 -14.929 1.00 0.00 C ATOM 89 CD1 TRP A 5 -6.215 -3.494 -16.247 1.00 0.00 C ATOM 90 CD2 TRP A 5 -5.391 -4.268 -14.302 1.00 0.00 C ATOM 91 NE1 TRP A 5 -4.988 -4.088 -16.477 1.00 0.00 N ATOM 92 CE2 TRP A 5 -4.430 -4.571 -15.313 1.00 0.00 C ATOM 93 CE3 TRP A 5 -5.080 -4.659 -12.981 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -3.222 -5.227 -15.028 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.873 -5.324 -12.685 1.00 0.00 C ATOM 96 CH2 TRP A 5 -2.945 -5.605 -13.703 1.00 0.00 C ATOM 0 H TRP A 5 -7.615 -1.128 -15.849 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.441 -1.273 -13.159 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.982 -3.615 -13.407 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.565 -3.055 -14.961 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.840 -3.042 -17.003 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.550 -4.160 -17.395 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.778 -4.445 -12.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.515 -5.438 -15.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.659 -5.620 -11.669 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.020 -6.111 -13.467 1.00 0.00 H new ATOM 107 N PHE A 6 -5.183 -1.079 -13.541 1.00 0.00 N ATOM 108 CA PHE A 6 -3.901 -0.873 -12.858 1.00 0.00 C ATOM 109 C PHE A 6 -3.928 0.326 -11.893 1.00 0.00 C ATOM 110 O PHE A 6 -3.288 0.295 -10.840 1.00 0.00 O ATOM 111 CB PHE A 6 -2.802 -0.708 -13.915 1.00 0.00 C ATOM 112 CG PHE A 6 -1.398 -0.696 -13.339 1.00 0.00 C ATOM 113 CD1 PHE A 6 -0.726 -1.911 -13.106 1.00 0.00 C ATOM 114 CD2 PHE A 6 -0.767 0.522 -13.017 1.00 0.00 C ATOM 115 CE1 PHE A 6 0.567 -1.909 -12.553 1.00 0.00 C ATOM 116 CE2 PHE A 6 0.524 0.524 -12.459 1.00 0.00 C ATOM 117 CZ PHE A 6 1.192 -0.693 -12.228 1.00 0.00 C ATOM 0 H PHE A 6 -5.116 -0.983 -14.554 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.696 -1.747 -12.240 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.881 -1.519 -14.638 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.970 0.222 -14.459 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.205 -2.847 -13.353 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.276 1.457 -13.199 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.080 -2.843 -12.378 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.003 1.459 -12.208 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.184 -0.692 -11.801 1.00 0.00 H new ATOM 127 N ASP A 7 -4.722 1.359 -12.200 1.00 0.00 N ATOM 128 CA ASP A 7 -4.914 2.543 -11.352 1.00 0.00 C ATOM 129 C ASP A 7 -5.486 2.173 -9.963 1.00 0.00 C ATOM 130 O ASP A 7 -5.206 2.840 -8.966 1.00 0.00 O ATOM 131 CB ASP A 7 -5.817 3.548 -12.100 1.00 0.00 C ATOM 132 CG ASP A 7 -5.499 5.031 -11.824 1.00 0.00 C ATOM 133 OD1 ASP A 7 -4.917 5.376 -10.768 1.00 0.00 O ATOM 134 OD2 ASP A 7 -5.830 5.874 -12.691 1.00 0.00 O ATOM 0 H ASP A 7 -5.262 1.396 -13.065 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.946 3.006 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.731 3.365 -13.171 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.855 3.356 -11.827 1.00 0.00 H new ATOM 139 N ILE A 8 -6.237 1.066 -9.868 1.00 0.00 N ATOM 140 CA ILE A 8 -6.761 0.526 -8.603 1.00 0.00 C ATOM 141 C ILE A 8 -5.627 -0.096 -7.770 1.00 0.00 C ATOM 142 O ILE A 8 -5.506 0.184 -6.575 1.00 0.00 O ATOM 143 CB ILE A 8 -7.899 -0.491 -8.855 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.999 0.035 -9.809 1.00 0.00 C ATOM 145 CG2 ILE A 8 -8.521 -0.943 -7.521 1.00 0.00 C ATOM 146 CD1 ILE A 8 -9.683 1.340 -9.374 1.00 0.00 C ATOM 0 H ILE A 8 -6.502 0.511 -10.681 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.186 1.351 -8.032 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.440 -1.344 -9.356 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.559 0.187 -10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.762 -0.736 -9.916 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.320 -1.658 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.756 -1.413 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.928 -0.078 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.436 1.620 -10.111 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.161 1.195 -8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.939 2.133 -9.297 1.00 0.00 H new ATOM 158 N THR A 9 -4.756 -0.905 -8.392 1.00 0.00 N ATOM 159 CA THR A 9 -3.602 -1.537 -7.715 1.00 0.00 C ATOM 160 C THR A 9 -2.575 -0.532 -7.187 1.00 0.00 C ATOM 161 O THR A 9 -1.839 -0.831 -6.243 1.00 0.00 O ATOM 162 CB THR A 9 -2.887 -2.583 -8.598 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.175 -2.002 -9.665 1.00 0.00 O ATOM 164 CG2 THR A 9 -3.855 -3.615 -9.173 1.00 0.00 C ATOM 0 H THR A 9 -4.828 -1.143 -9.381 1.00 0.00 H new ATOM 0 HA THR A 9 -4.045 -2.045 -6.859 1.00 0.00 H new ATOM 0 HB THR A 9 -2.183 -3.076 -7.928 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.659 -1.214 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.304 -4.328 -9.786 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.350 -4.143 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.603 -3.111 -9.786 1.00 0.00 H new ATOM 172 N ASN A 10 -2.563 0.691 -7.735 1.00 0.00 N ATOM 173 CA ASN A 10 -1.725 1.801 -7.288 1.00 0.00 C ATOM 174 C ASN A 10 -1.988 2.138 -5.806 1.00 0.00 C ATOM 175 O ASN A 10 -1.057 2.415 -5.042 1.00 0.00 O ATOM 176 CB ASN A 10 -1.985 2.994 -8.231 1.00 0.00 C ATOM 177 CG ASN A 10 -0.777 3.899 -8.379 1.00 0.00 C ATOM 178 OD1 ASN A 10 -0.351 4.583 -7.458 1.00 0.00 O ATOM 179 ND2 ASN A 10 -0.183 3.944 -9.554 1.00 0.00 N ATOM 0 H ASN A 10 -3.157 0.938 -8.527 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.670 1.533 -7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.275 2.619 -9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.825 3.576 -7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.628 4.547 -9.693 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.534 3.376 -10.325 1.00 0.00 H new ATOM 186 N TRP A 11 -3.256 2.047 -5.364 1.00 0.00 N ATOM 187 CA TRP A 11 -3.677 2.227 -3.967 1.00 0.00 C ATOM 188 C TRP A 11 -3.330 1.029 -3.071 1.00 0.00 C ATOM 189 O TRP A 11 -2.919 1.231 -1.927 1.00 0.00 O ATOM 190 CB TRP A 11 -5.185 2.505 -3.908 1.00 0.00 C ATOM 191 CG TRP A 11 -5.663 3.642 -4.760 1.00 0.00 C ATOM 192 CD1 TRP A 11 -6.390 3.509 -5.892 1.00 0.00 C ATOM 193 CD2 TRP A 11 -5.450 5.079 -4.589 1.00 0.00 C ATOM 194 NE1 TRP A 11 -6.630 4.754 -6.442 1.00 0.00 N ATOM 195 CE2 TRP A 11 -6.076 5.758 -5.678 1.00 0.00 C ATOM 196 CE3 TRP A 11 -4.793 5.880 -3.629 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -6.047 7.154 -5.814 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -4.761 7.284 -3.751 1.00 0.00 C ATOM 199 CH2 TRP A 11 -5.384 7.922 -4.841 1.00 0.00 C ATOM 0 H TRP A 11 -4.036 1.840 -5.988 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.121 3.080 -3.579 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.716 1.601 -4.207 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.460 2.708 -2.873 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.732 2.571 -6.304 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -7.151 4.910 -7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.307 5.409 -2.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.527 7.632 -6.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.255 7.875 -3.002 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.353 8.998 -4.929 1.00 0.00 H new ATOM 210 N LEU A 12 -3.443 -0.219 -3.564 1.00 0.00 N ATOM 211 CA LEU A 12 -3.073 -1.430 -2.808 1.00 0.00 C ATOM 212 C LEU A 12 -1.626 -1.377 -2.297 1.00 0.00 C ATOM 213 O LEU A 12 -1.358 -1.744 -1.151 1.00 0.00 O ATOM 214 CB LEU A 12 -3.284 -2.713 -3.642 1.00 0.00 C ATOM 215 CG LEU A 12 -4.645 -3.392 -3.410 1.00 0.00 C ATOM 216 CD1 LEU A 12 -5.775 -2.700 -4.171 1.00 0.00 C ATOM 217 CD2 LEU A 12 -4.576 -4.851 -3.864 1.00 0.00 C ATOM 0 H LEU A 12 -3.795 -0.416 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.738 -1.460 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.188 -2.467 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.491 -3.422 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.860 -3.325 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.715 -3.216 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.854 -1.664 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.563 -2.726 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.541 -5.330 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.328 -4.891 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.809 -5.374 -3.293 1.00 0.00 H new ATOM 229 N TRP A 13 -0.701 -0.893 -3.130 1.00 0.00 N ATOM 230 CA TRP A 13 0.713 -0.748 -2.775 1.00 0.00 C ATOM 231 C TRP A 13 0.921 0.159 -1.548 1.00 0.00 C ATOM 232 O TRP A 13 1.731 -0.158 -0.680 1.00 0.00 O ATOM 233 CB TRP A 13 1.503 -0.266 -4.003 1.00 0.00 C ATOM 234 CG TRP A 13 2.906 -0.788 -4.090 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.231 -2.094 -4.233 1.00 0.00 C ATOM 236 CD2 TRP A 13 4.175 -0.058 -4.081 1.00 0.00 C ATOM 237 NE1 TRP A 13 4.606 -2.228 -4.291 1.00 0.00 N ATOM 238 CE2 TRP A 13 5.237 -1.006 -4.205 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.543 1.303 -3.993 1.00 0.00 C ATOM 240 CZ2 TRP A 13 6.587 -0.629 -4.230 1.00 0.00 C ATOM 241 CZ3 TRP A 13 5.897 1.695 -4.020 1.00 0.00 C ATOM 242 CH2 TRP A 13 6.918 0.734 -4.135 1.00 0.00 C ATOM 0 H TRP A 13 -0.915 -0.588 -4.079 1.00 0.00 H new ATOM 0 HA TRP A 13 1.097 -1.724 -2.478 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.964 -0.560 -4.903 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.535 0.823 -3.993 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.524 -2.908 -4.293 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.092 -3.120 -4.386 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.774 2.056 -3.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.362 -1.375 -4.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.153 2.742 -3.952 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.953 1.042 -4.150 1.00 0.00 H new ATOM 253 N TYR A 14 0.137 1.236 -1.416 1.00 0.00 N ATOM 254 CA TYR A 14 0.156 2.149 -0.265 1.00 0.00 C ATOM 255 C TYR A 14 -0.200 1.450 1.063 1.00 0.00 C ATOM 256 O TYR A 14 0.457 1.676 2.082 1.00 0.00 O ATOM 257 CB TYR A 14 -0.783 3.331 -0.548 1.00 0.00 C ATOM 258 CG TYR A 14 -0.615 4.516 0.385 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.530 5.330 0.281 1.00 0.00 C ATOM 260 CD2 TYR A 14 -1.615 4.826 1.329 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.679 6.453 1.116 1.00 0.00 C ATOM 262 CE2 TYR A 14 -1.469 5.950 2.166 1.00 0.00 C ATOM 263 CZ TYR A 14 -0.323 6.768 2.061 1.00 0.00 C ATOM 264 OH TYR A 14 -0.196 7.859 2.867 1.00 0.00 O ATOM 0 H TYR A 14 -0.546 1.504 -2.125 1.00 0.00 H new ATOM 0 HA TYR A 14 1.176 2.513 -0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.622 3.667 -1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.813 2.981 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.296 5.091 -0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.493 4.202 1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.559 7.074 1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.235 6.186 2.889 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.978 7.924 3.455 1.00 0.00 H new ATOM 274 N ILE A 15 -1.201 0.560 1.058 1.00 0.00 N ATOM 275 CA ILE A 15 -1.576 -0.257 2.229 1.00 0.00 C ATOM 276 C ILE A 15 -0.474 -1.281 2.553 1.00 0.00 C ATOM 277 O ILE A 15 -0.063 -1.405 3.706 1.00 0.00 O ATOM 278 CB ILE A 15 -2.945 -0.943 2.005 1.00 0.00 C ATOM 279 CG1 ILE A 15 -4.082 0.091 1.791 1.00 0.00 C ATOM 280 CG2 ILE A 15 -3.321 -1.841 3.200 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.974 -0.279 0.602 1.00 0.00 C ATOM 0 H ILE A 15 -1.780 0.382 0.237 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.677 0.402 3.092 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.839 -1.549 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.689 0.155 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.649 1.078 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.287 -2.309 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.562 -2.613 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.379 -1.237 4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.757 0.471 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.372 -0.317 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.428 -1.254 0.778 1.00 0.00 H new ATOM 293 N LYS A 16 0.054 -1.986 1.543 1.00 0.00 N ATOM 294 CA LYS A 16 1.187 -2.923 1.681 1.00 0.00 C ATOM 295 C LYS A 16 2.440 -2.273 2.284 1.00 0.00 C ATOM 296 O LYS A 16 3.094 -2.882 3.131 1.00 0.00 O ATOM 297 CB LYS A 16 1.471 -3.582 0.320 1.00 0.00 C ATOM 298 CG LYS A 16 0.916 -5.017 0.241 1.00 0.00 C ATOM 299 CD LYS A 16 0.425 -5.344 -1.176 1.00 0.00 C ATOM 300 CE LYS A 16 0.253 -6.858 -1.358 1.00 0.00 C ATOM 301 NZ LYS A 16 0.326 -7.241 -2.792 1.00 0.00 N ATOM 0 H LYS A 16 -0.298 -1.923 0.588 1.00 0.00 H new ATOM 0 HA LYS A 16 0.901 -3.693 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.029 -2.979 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.547 -3.600 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.691 -5.726 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.095 -5.132 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.524 -4.841 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.136 -4.964 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.027 -7.384 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.706 -7.170 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.206 -8.270 -2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.428 -6.757 -3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.251 -6.965 -3.178 1.00 0.00 H new ATOM 315 N LEU A 17 2.751 -1.031 1.905 1.00 0.00 N ATOM 316 CA LEU A 17 3.858 -0.258 2.483 1.00 0.00 C ATOM 317 C LEU A 17 3.670 -0.047 3.996 1.00 0.00 C ATOM 318 O LEU A 17 4.619 -0.245 4.747 1.00 0.00 O ATOM 319 CB LEU A 17 4.008 1.093 1.760 1.00 0.00 C ATOM 320 CG LEU A 17 4.651 1.009 0.362 1.00 0.00 C ATOM 321 CD1 LEU A 17 4.490 2.355 -0.346 1.00 0.00 C ATOM 322 CD2 LEU A 17 6.145 0.683 0.430 1.00 0.00 C ATOM 0 H LEU A 17 2.238 -0.527 1.182 1.00 0.00 H new ATOM 0 HA LEU A 17 4.774 -0.832 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.023 1.550 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.608 1.757 2.382 1.00 0.00 H new ATOM 0 HG LEU A 17 4.148 0.208 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.943 2.302 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.430 2.590 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.982 3.134 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.553 0.634 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.662 1.460 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.286 -0.278 0.925 1.00 0.00 H new ATOM 334 N PHE A 18 2.462 0.285 4.462 1.00 0.00 N ATOM 335 CA PHE A 18 2.162 0.433 5.898 1.00 0.00 C ATOM 336 C PHE A 18 2.493 -0.835 6.705 1.00 0.00 C ATOM 337 O PHE A 18 3.084 -0.736 7.781 1.00 0.00 O ATOM 338 CB PHE A 18 0.697 0.852 6.088 1.00 0.00 C ATOM 339 CG PHE A 18 0.323 1.178 7.523 1.00 0.00 C ATOM 340 CD1 PHE A 18 0.464 2.492 8.009 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.172 0.169 8.374 1.00 0.00 C ATOM 342 CE1 PHE A 18 0.100 2.799 9.333 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.535 0.477 9.698 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.405 1.793 10.175 1.00 0.00 C ATOM 0 H PHE A 18 1.660 0.460 3.857 1.00 0.00 H new ATOM 0 HA PHE A 18 2.808 1.218 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.497 1.724 5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.052 0.050 5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.853 3.266 7.364 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.273 -0.842 8.009 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.209 3.808 9.703 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.914 -0.298 10.348 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.693 2.031 11.188 1.00 0.00 H new ATOM 354 N ILE A 19 2.179 -2.026 6.175 1.00 0.00 N ATOM 355 CA ILE A 19 2.526 -3.320 6.795 1.00 0.00 C ATOM 356 C ILE A 19 4.046 -3.442 6.989 1.00 0.00 C ATOM 357 O ILE A 19 4.496 -3.839 8.062 1.00 0.00 O ATOM 358 CB ILE A 19 1.970 -4.522 5.987 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.444 -4.405 5.760 1.00 0.00 C ATOM 360 CG2 ILE A 19 2.291 -5.844 6.714 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.121 -5.443 4.781 1.00 0.00 C ATOM 0 H ILE A 19 1.672 -2.123 5.295 1.00 0.00 H new ATOM 0 HA ILE A 19 2.050 -3.347 7.775 1.00 0.00 H new ATOM 0 HB ILE A 19 2.455 -4.514 5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.065 -4.509 6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.218 -3.406 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.896 -6.681 6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.371 -5.951 6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.833 -5.836 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.196 -5.296 4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.359 -5.326 3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.072 -6.446 5.162 1.00 0.00 H new ATOM 373 N MET A 20 4.846 -3.071 5.985 1.00 0.00 N ATOM 374 CA MET A 20 6.316 -3.071 6.069 1.00 0.00 C ATOM 375 C MET A 20 6.857 -2.011 7.042 1.00 0.00 C ATOM 376 O MET A 20 7.745 -2.316 7.844 1.00 0.00 O ATOM 377 CB MET A 20 6.919 -2.884 4.667 1.00 0.00 C ATOM 378 CG MET A 20 6.660 -4.104 3.767 1.00 0.00 C ATOM 379 SD MET A 20 8.149 -5.058 3.352 1.00 0.00 S ATOM 380 CE MET A 20 8.757 -4.086 1.944 1.00 0.00 C ATOM 0 H MET A 20 4.492 -2.759 5.081 1.00 0.00 H new ATOM 0 HA MET A 20 6.619 -4.038 6.470 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.493 -1.994 4.204 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.993 -2.717 4.752 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.948 -4.763 4.264 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.190 -3.766 2.843 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.674 -4.534 1.561 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.003 -4.075 1.157 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.959 -3.065 2.267 1.00 0.00 H new ATOM 390 N ILE A 21 6.319 -0.783 7.013 1.00 0.00 N ATOM 391 CA ILE A 21 6.727 0.324 7.896 1.00 0.00 C ATOM 392 C ILE A 21 6.469 -0.042 9.365 1.00 0.00 C ATOM 393 O ILE A 21 7.399 -0.058 10.171 1.00 0.00 O ATOM 394 CB ILE A 21 5.987 1.629 7.497 1.00 0.00 C ATOM 395 CG1 ILE A 21 6.420 2.124 6.097 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.239 2.748 8.524 1.00 0.00 C ATOM 397 CD1 ILE A 21 5.432 3.127 5.477 1.00 0.00 C ATOM 0 H ILE A 21 5.575 -0.525 6.365 1.00 0.00 H new ATOM 0 HA ILE A 21 7.797 0.497 7.780 1.00 0.00 H new ATOM 0 HB ILE A 21 4.924 1.391 7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.402 2.590 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.523 1.267 5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.708 3.649 8.218 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.880 2.431 9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.307 2.957 8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.794 3.435 4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.454 2.657 5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.347 4.001 6.123 1.00 0.00 H new ATOM 409 N VAL A 22 5.238 -0.426 9.721 1.00 0.00 N ATOM 410 CA VAL A 22 4.895 -0.821 11.099 1.00 0.00 C ATOM 411 C VAL A 22 5.535 -2.154 11.466 1.00 0.00 C ATOM 412 O VAL A 22 5.997 -2.299 12.593 1.00 0.00 O ATOM 413 CB VAL A 22 3.373 -0.858 11.326 1.00 0.00 C ATOM 414 CG1 VAL A 22 3.009 -1.209 12.776 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.774 0.526 11.040 1.00 0.00 C ATOM 0 H VAL A 22 4.454 -0.473 9.070 1.00 0.00 H new ATOM 0 HA VAL A 22 5.302 -0.057 11.761 1.00 0.00 H new ATOM 0 HB VAL A 22 2.977 -1.622 10.657 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.925 -1.223 12.886 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.411 -2.191 13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.432 -0.463 13.448 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.696 0.497 11.202 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.221 1.261 11.709 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.978 0.804 10.006 1.00 0.00 H new ATOM 425 N GLY A 23 5.672 -3.095 10.530 1.00 0.00 N ATOM 426 CA GLY A 23 6.327 -4.383 10.763 1.00 0.00 C ATOM 427 C GLY A 23 7.773 -4.275 11.279 1.00 0.00 C ATOM 428 O GLY A 23 8.255 -5.195 11.945 1.00 0.00 O ATOM 0 H GLY A 23 5.327 -2.982 9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.738 -4.952 11.483 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.327 -4.951 9.832 1.00 0.00 H new ATOM 432 N GLY A 24 8.450 -3.149 11.011 1.00 0.00 N ATOM 433 CA GLY A 24 9.794 -2.826 11.506 1.00 0.00 C ATOM 434 C GLY A 24 9.823 -1.750 12.600 1.00 0.00 C ATOM 435 O GLY A 24 10.758 -1.728 13.403 1.00 0.00 O ATOM 0 H GLY A 24 8.062 -2.412 10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.253 -3.735 11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.406 -2.492 10.668 1.00 0.00 H new ATOM 439 N LEU A 25 8.813 -0.869 12.685 1.00 0.00 N ATOM 440 CA LEU A 25 8.707 0.181 13.715 1.00 0.00 C ATOM 441 C LEU A 25 7.961 -0.250 14.991 1.00 0.00 C ATOM 442 O LEU A 25 8.160 0.359 16.041 1.00 0.00 O ATOM 443 CB LEU A 25 8.044 1.439 13.126 1.00 0.00 C ATOM 444 CG LEU A 25 8.878 2.199 12.076 1.00 0.00 C ATOM 445 CD1 LEU A 25 8.103 3.440 11.634 1.00 0.00 C ATOM 446 CD2 LEU A 25 10.234 2.661 12.615 1.00 0.00 C ATOM 0 H LEU A 25 8.032 -0.865 12.029 1.00 0.00 H new ATOM 0 HA LEU A 25 9.731 0.393 14.021 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.096 1.150 12.672 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.811 2.122 13.943 1.00 0.00 H new ATOM 0 HG LEU A 25 9.058 1.510 11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.684 3.986 10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.150 3.138 11.200 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.922 4.082 12.496 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.776 3.190 11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.080 3.328 13.463 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.813 1.795 12.935 1.00 0.00 H new ATOM 458 N VAL A 26 7.139 -1.305 14.953 1.00 0.00 N ATOM 459 CA VAL A 26 6.408 -1.831 16.125 1.00 0.00 C ATOM 460 C VAL A 26 7.351 -2.370 17.214 1.00 0.00 C ATOM 461 O VAL A 26 7.035 -2.300 18.404 1.00 0.00 O ATOM 462 CB VAL A 26 5.369 -2.884 15.683 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.985 -4.204 15.192 1.00 0.00 C ATOM 464 CG2 VAL A 26 4.348 -3.195 16.779 1.00 0.00 C ATOM 0 H VAL A 26 6.956 -1.829 14.097 1.00 0.00 H new ATOM 0 HA VAL A 26 5.873 -0.998 16.582 1.00 0.00 H new ATOM 0 HB VAL A 26 4.866 -2.414 14.838 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.190 -4.890 14.900 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.629 -4.008 14.334 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.574 -4.651 15.993 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.641 -3.941 16.416 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.864 -3.581 17.658 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.811 -2.285 17.045 1.00 0.00 H new ATOM 474 N LYS A 27 8.529 -2.866 16.810 1.00 0.00 N ATOM 475 CA LYS A 27 9.593 -3.390 17.687 1.00 0.00 C ATOM 476 C LYS A 27 10.646 -2.348 18.108 1.00 0.00 C ATOM 477 O LYS A 27 11.361 -2.575 19.087 1.00 0.00 O ATOM 478 CB LYS A 27 10.205 -4.638 17.015 1.00 0.00 C ATOM 479 CG LYS A 27 11.163 -4.342 15.843 1.00 0.00 C ATOM 480 CD LYS A 27 12.631 -4.171 16.286 1.00 0.00 C ATOM 481 CE LYS A 27 13.527 -5.239 15.644 1.00 0.00 C ATOM 482 NZ LYS A 27 14.833 -5.356 16.344 1.00 0.00 N ATOM 0 H LYS A 27 8.780 -2.916 15.823 1.00 0.00 H new ATOM 0 HA LYS A 27 9.142 -3.671 18.639 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.744 -5.211 17.769 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.395 -5.271 16.652 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.101 -5.154 15.118 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.836 -3.435 15.335 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.985 -3.179 16.008 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.697 -4.240 17.372 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.016 -6.202 15.664 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.697 -4.990 14.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.410 -6.087 15.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.331 -4.444 16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.672 -5.619 17.337 1.00 0.00 H new ATOM 496 N LYS A 28 10.754 -1.222 17.382 1.00 0.00 N ATOM 497 CA LYS A 28 11.657 -0.085 17.658 1.00 0.00 C ATOM 498 C LYS A 28 11.312 0.645 18.967 1.00 0.00 C ATOM 499 O LYS A 28 10.113 0.861 19.256 1.00 0.00 O ATOM 500 CB LYS A 28 11.662 0.889 16.458 1.00 0.00 C ATOM 501 CG LYS A 28 12.621 0.443 15.339 1.00 0.00 C ATOM 502 CD LYS A 28 14.054 0.921 15.619 1.00 0.00 C ATOM 503 CE LYS A 28 15.065 0.209 14.713 1.00 0.00 C ATOM 504 NZ LYS A 28 16.454 0.662 14.994 1.00 0.00 N ATOM 505 OXT LYS A 28 12.261 1.010 19.700 1.00 0.00 O ATOM 0 H LYS A 28 10.189 -1.070 16.547 1.00 0.00 H new ATOM 0 HA LYS A 28 12.660 -0.490 17.793 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.652 0.970 16.056 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.948 1.883 16.802 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.606 -0.644 15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.281 0.842 14.383 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.118 1.998 15.463 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.304 0.735 16.663 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.994 -0.868 14.862 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.821 0.403 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.116 0.163 14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.525 1.686 14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.693 0.454 15.984 1.00 0.00 H new TER 519 LYS A 28