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+ 174:sc= -0.0105 (180deg=-0.0566) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 K(o=0,f=-1.6!) USER MOD Single : A 9 THR OG1 : rot -9:sc= 0.171 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.43) 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 -171:sc= 0 (180deg=-0.09) 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 -14.628 8.561 -10.928 1.00 0.00 N ATOM 2 CA LYS A 1 -13.738 8.526 -12.124 1.00 0.00 C ATOM 3 C LYS A 1 -12.849 7.278 -12.106 1.00 0.00 C ATOM 4 O LYS A 1 -12.172 7.016 -11.110 1.00 0.00 O ATOM 5 CB LYS A 1 -12.930 9.841 -12.291 1.00 0.00 C ATOM 6 CG LYS A 1 -11.958 10.184 -11.139 1.00 0.00 C ATOM 7 CD LYS A 1 -11.611 11.683 -11.061 1.00 0.00 C ATOM 8 CE LYS A 1 -10.644 12.195 -12.140 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.238 11.780 -11.877 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.147 9.462 -10.908 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.305 7.773 -10.975 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.054 8.473 -10.065 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.370 8.456 -13.009 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.358 9.779 -13.217 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.634 10.666 -12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.401 9.871 -10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -11.039 9.611 -11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.536 12.256 -11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.177 11.887 -10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.956 11.818 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.697 13.283 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.621 12.147 -12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.929 12.161 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.180 10.742 -11.858 1.00 0.00 H new ATOM 25 N LYS A 2 -12.864 6.490 -13.191 1.00 0.00 N ATOM 26 CA LYS A 2 -12.043 5.273 -13.391 1.00 0.00 C ATOM 27 C LYS A 2 -11.442 5.231 -14.803 1.00 0.00 C ATOM 28 O LYS A 2 -12.019 5.790 -15.738 1.00 0.00 O ATOM 29 CB LYS A 2 -12.875 4.018 -13.040 1.00 0.00 C ATOM 30 CG LYS A 2 -14.069 3.743 -13.978 1.00 0.00 C ATOM 31 CD LYS A 2 -15.057 2.716 -13.393 1.00 0.00 C ATOM 32 CE LYS A 2 -15.917 3.334 -12.279 1.00 0.00 C ATOM 33 NZ LYS A 2 -16.825 2.334 -11.657 1.00 0.00 N ATOM 0 H LYS A 2 -13.470 6.685 -13.988 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.190 5.294 -12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.216 3.149 -13.051 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.249 4.122 -12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.595 4.677 -14.174 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.698 3.379 -14.936 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.703 2.338 -14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.505 1.863 -12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.268 3.760 -11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.507 4.154 -12.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.387 2.792 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.462 1.946 -12.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.262 1.564 -11.243 1.00 0.00 H new ATOM 47 N LYS A 3 -10.275 4.594 -14.946 1.00 0.00 N ATOM 48 CA LYS A 3 -9.493 4.497 -16.197 1.00 0.00 C ATOM 49 C LYS A 3 -9.232 3.038 -16.572 1.00 0.00 C ATOM 50 O LYS A 3 -9.744 2.563 -17.586 1.00 0.00 O ATOM 51 CB LYS A 3 -8.182 5.314 -16.117 1.00 0.00 C ATOM 52 CG LYS A 3 -8.371 6.812 -16.418 1.00 0.00 C ATOM 53 CD LYS A 3 -8.865 7.656 -15.227 1.00 0.00 C ATOM 54 CE LYS A 3 -9.931 8.682 -15.641 1.00 0.00 C ATOM 55 NZ LYS A 3 -9.399 9.715 -16.572 1.00 0.00 N ATOM 0 H LYS A 3 -9.826 4.111 -14.167 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.091 4.938 -16.995 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.755 5.203 -15.120 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.461 4.898 -16.821 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.422 7.220 -16.765 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.082 6.916 -17.238 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.276 6.996 -14.463 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.019 8.176 -14.777 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.764 8.164 -16.116 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.326 9.170 -14.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.157 10.382 -16.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.622 10.230 -16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.046 9.255 -17.435 1.00 0.00 H new ATOM 69 N ASN A 4 -8.448 2.330 -15.758 1.00 0.00 N ATOM 70 CA ASN A 4 -8.133 0.911 -15.937 1.00 0.00 C ATOM 71 C ASN A 4 -7.901 0.206 -14.587 1.00 0.00 C ATOM 72 O ASN A 4 -7.644 0.862 -13.574 1.00 0.00 O ATOM 73 CB ASN A 4 -6.902 0.801 -16.866 1.00 0.00 C ATOM 74 CG ASN A 4 -7.130 -0.219 -17.966 1.00 0.00 C ATOM 75 OD1 ASN A 4 -7.391 -1.384 -17.709 1.00 0.00 O ATOM 76 ND2 ASN A 4 -7.063 0.182 -19.215 1.00 0.00 N ATOM 0 H ASN A 4 -8.003 2.737 -14.935 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.980 0.402 -16.397 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.689 1.774 -17.308 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.027 0.519 -16.281 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.229 -0.480 -19.973 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.845 1.156 -19.427 1.00 0.00 H new ATOM 83 N TRP A 5 -7.921 -1.131 -14.572 1.00 0.00 N ATOM 84 CA TRP A 5 -7.656 -1.941 -13.369 1.00 0.00 C ATOM 85 C TRP A 5 -6.247 -1.712 -12.790 1.00 0.00 C ATOM 86 O TRP A 5 -6.052 -1.771 -11.576 1.00 0.00 O ATOM 87 CB TRP A 5 -7.874 -3.428 -13.689 1.00 0.00 C ATOM 88 CG TRP A 5 -6.872 -4.036 -14.627 1.00 0.00 C ATOM 89 CD1 TRP A 5 -6.959 -4.046 -15.976 1.00 0.00 C ATOM 90 CD2 TRP A 5 -5.611 -4.704 -14.302 1.00 0.00 C ATOM 91 NE1 TRP A 5 -5.830 -4.639 -16.510 1.00 0.00 N ATOM 92 CE2 TRP A 5 -4.966 -5.063 -15.523 1.00 0.00 C ATOM 93 CE3 TRP A 5 -4.943 -5.037 -13.103 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -3.722 -5.711 -15.557 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.698 -5.696 -13.124 1.00 0.00 C ATOM 96 CH2 TRP A 5 -3.085 -6.030 -14.345 1.00 0.00 C ATOM 0 H TRP A 5 -8.123 -1.691 -15.401 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.359 -1.621 -12.600 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.860 -3.990 -12.755 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.869 -3.548 -14.118 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -7.785 -3.651 -16.549 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.658 -4.749 -17.509 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.394 -4.782 -12.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -3.260 -5.961 -16.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.210 -5.947 -12.194 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.128 -6.530 -14.351 1.00 0.00 H new ATOM 107 N PHE A 6 -5.276 -1.385 -13.652 1.00 0.00 N ATOM 108 CA PHE A 6 -3.906 -1.030 -13.273 1.00 0.00 C ATOM 109 C PHE A 6 -3.830 0.226 -12.381 1.00 0.00 C ATOM 110 O PHE A 6 -2.934 0.342 -11.547 1.00 0.00 O ATOM 111 CB PHE A 6 -3.068 -0.864 -14.547 1.00 0.00 C ATOM 112 CG PHE A 6 -1.589 -0.653 -14.284 1.00 0.00 C ATOM 113 CD1 PHE A 6 -0.801 -1.725 -13.823 1.00 0.00 C ATOM 114 CD2 PHE A 6 -1.000 0.613 -14.480 1.00 0.00 C ATOM 115 CE1 PHE A 6 0.567 -1.533 -13.556 1.00 0.00 C ATOM 116 CE2 PHE A 6 0.369 0.803 -14.215 1.00 0.00 C ATOM 117 CZ PHE A 6 1.152 -0.269 -13.751 1.00 0.00 C ATOM 0 H PHE A 6 -5.428 -1.360 -14.660 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.502 -1.839 -12.665 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.194 -1.749 -15.171 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.451 -0.016 -15.115 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.248 -2.697 -13.674 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.600 1.438 -14.834 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.168 -2.357 -13.201 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.819 1.773 -14.368 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.202 -0.122 -13.545 1.00 0.00 H new ATOM 127 N ASP A 7 -4.776 1.168 -12.510 1.00 0.00 N ATOM 128 CA ASP A 7 -4.830 2.340 -11.627 1.00 0.00 C ATOM 129 C ASP A 7 -5.131 1.906 -10.180 1.00 0.00 C ATOM 130 O ASP A 7 -4.481 2.362 -9.240 1.00 0.00 O ATOM 131 CB ASP A 7 -5.867 3.353 -12.134 1.00 0.00 C ATOM 132 CG ASP A 7 -5.671 4.726 -11.469 1.00 0.00 C ATOM 133 OD1 ASP A 7 -4.881 5.540 -12.004 1.00 0.00 O ATOM 134 OD2 ASP A 7 -6.302 5.000 -10.420 1.00 0.00 O ATOM 0 H ASP A 7 -5.512 1.140 -13.216 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.857 2.831 -11.636 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.782 3.454 -13.216 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.872 2.985 -11.926 1.00 0.00 H new ATOM 139 N ILE A 8 -6.063 0.959 -10.005 1.00 0.00 N ATOM 140 CA ILE A 8 -6.456 0.392 -8.706 1.00 0.00 C ATOM 141 C ILE A 8 -5.291 -0.347 -8.029 1.00 0.00 C ATOM 142 O ILE A 8 -5.046 -0.143 -6.837 1.00 0.00 O ATOM 143 CB ILE A 8 -7.697 -0.520 -8.846 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.856 0.118 -9.651 1.00 0.00 C ATOM 145 CG2 ILE A 8 -8.200 -0.963 -7.460 1.00 0.00 C ATOM 146 CD1 ILE A 8 -9.302 1.512 -9.181 1.00 0.00 C ATOM 0 H ILE A 8 -6.580 0.554 -10.786 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.727 1.225 -8.058 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.366 -1.387 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.554 0.186 -10.696 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.715 -0.552 -9.610 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.074 -1.604 -7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.412 -1.514 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.471 -0.085 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.117 1.865 -9.812 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.642 1.456 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.463 2.205 -9.250 1.00 0.00 H new ATOM 158 N THR A 9 -4.541 -1.178 -8.764 1.00 0.00 N ATOM 159 CA THR A 9 -3.392 -1.910 -8.194 1.00 0.00 C ATOM 160 C THR A 9 -2.273 -0.984 -7.697 1.00 0.00 C ATOM 161 O THR A 9 -1.593 -1.329 -6.727 1.00 0.00 O ATOM 162 CB THR A 9 -2.822 -2.981 -9.136 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.410 -2.429 -10.363 1.00 0.00 O ATOM 164 CG2 THR A 9 -3.849 -4.074 -9.436 1.00 0.00 C ATOM 0 H THR A 9 -4.705 -1.363 -9.754 1.00 0.00 H new ATOM 0 HA THR A 9 -3.805 -2.425 -7.327 1.00 0.00 H new ATOM 0 HB THR A 9 -1.965 -3.410 -8.616 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.708 -1.497 -10.419 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.409 -4.813 -10.105 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.147 -4.558 -8.506 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.724 -3.630 -9.911 1.00 0.00 H new ATOM 172 N ASN A 10 -2.111 0.213 -8.279 1.00 0.00 N ATOM 173 CA ASN A 10 -1.142 1.212 -7.804 1.00 0.00 C ATOM 174 C ASN A 10 -1.513 1.715 -6.392 1.00 0.00 C ATOM 175 O ASN A 10 -0.636 1.839 -5.534 1.00 0.00 O ATOM 176 CB ASN A 10 -1.025 2.380 -8.798 1.00 0.00 C ATOM 177 CG ASN A 10 -0.424 1.994 -10.142 1.00 0.00 C ATOM 178 OD1 ASN A 10 0.447 1.139 -10.250 1.00 0.00 O ATOM 179 ND2 ASN A 10 -0.823 2.654 -11.207 1.00 0.00 N ATOM 0 H ASN A 10 -2.648 0.516 -9.092 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.166 0.731 -7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.016 2.803 -8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.414 3.164 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.408 2.453 -12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.548 3.367 -11.123 1.00 0.00 H new ATOM 186 N TRP A 11 -2.801 1.969 -6.126 1.00 0.00 N ATOM 187 CA TRP A 11 -3.296 2.363 -4.799 1.00 0.00 C ATOM 188 C TRP A 11 -3.174 1.222 -3.772 1.00 0.00 C ATOM 189 O TRP A 11 -2.859 1.481 -2.610 1.00 0.00 O ATOM 190 CB TRP A 11 -4.744 2.866 -4.892 1.00 0.00 C ATOM 191 CG TRP A 11 -4.938 4.046 -5.799 1.00 0.00 C ATOM 192 CD1 TRP A 11 -5.623 4.031 -6.963 1.00 0.00 C ATOM 193 CD2 TRP A 11 -4.422 5.407 -5.660 1.00 0.00 C ATOM 194 NE1 TRP A 11 -5.534 5.262 -7.580 1.00 0.00 N ATOM 195 CE2 TRP A 11 -4.820 6.158 -6.810 1.00 0.00 C ATOM 196 CE3 TRP A 11 -3.653 6.082 -4.686 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -4.470 7.506 -6.983 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -3.301 7.436 -4.847 1.00 0.00 C ATOM 199 CH2 TRP A 11 -3.707 8.149 -5.991 1.00 0.00 C ATOM 0 H TRP A 11 -3.535 1.906 -6.831 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.665 3.178 -4.444 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.377 2.049 -5.239 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.087 3.132 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.161 3.180 -7.354 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.943 5.482 -8.488 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.330 5.551 -3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.782 8.043 -7.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.715 7.931 -4.087 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.433 9.187 -6.107 1.00 0.00 H new ATOM 210 N LEU A 12 -3.360 -0.039 -4.184 1.00 0.00 N ATOM 211 CA LEU A 12 -3.205 -1.214 -3.309 1.00 0.00 C ATOM 212 C LEU A 12 -1.782 -1.326 -2.732 1.00 0.00 C ATOM 213 O LEU A 12 -1.604 -1.791 -1.605 1.00 0.00 O ATOM 214 CB LEU A 12 -3.601 -2.501 -4.075 1.00 0.00 C ATOM 215 CG LEU A 12 -4.832 -3.243 -3.518 1.00 0.00 C ATOM 216 CD1 LEU A 12 -4.584 -3.840 -2.125 1.00 0.00 C ATOM 217 CD2 LEU A 12 -6.078 -2.356 -3.508 1.00 0.00 C ATOM 0 H LEU A 12 -3.624 -0.277 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.876 -1.088 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.794 -2.241 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.752 -3.184 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.012 -4.074 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.484 -4.350 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.760 -4.552 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.331 -3.042 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.922 -2.918 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.897 -1.481 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.305 -2.036 -4.525 1.00 0.00 H new ATOM 229 N TRP A 13 -0.767 -0.840 -3.454 1.00 0.00 N ATOM 230 CA TRP A 13 0.625 -0.804 -2.989 1.00 0.00 C ATOM 231 C TRP A 13 0.815 0.044 -1.715 1.00 0.00 C ATOM 232 O TRP A 13 1.645 -0.291 -0.870 1.00 0.00 O ATOM 233 CB TRP A 13 1.536 -0.333 -4.135 1.00 0.00 C ATOM 234 CG TRP A 13 2.881 -0.994 -4.184 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.101 -2.256 -4.622 1.00 0.00 C ATOM 236 CD2 TRP A 13 4.195 -0.456 -3.833 1.00 0.00 C ATOM 237 NE1 TRP A 13 4.452 -2.538 -4.561 1.00 0.00 N ATOM 238 CE2 TRP A 13 5.172 -1.470 -4.073 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.668 0.788 -3.359 1.00 0.00 C ATOM 240 CZ2 TRP A 13 6.541 -1.271 -3.837 1.00 0.00 C ATOM 241 CZ3 TRP A 13 6.044 1.006 -3.141 1.00 0.00 C ATOM 242 CH2 TRP A 13 6.978 -0.021 -3.365 1.00 0.00 C ATOM 0 H TRP A 13 -0.890 -0.455 -4.391 1.00 0.00 H new ATOM 0 HA TRP A 13 0.908 -1.817 -2.702 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.026 -0.510 -5.082 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.679 0.744 -4.047 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.337 -2.938 -4.966 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.865 -3.427 -4.843 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.965 1.584 -3.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.249 -2.067 -4.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.384 1.972 -2.798 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.027 0.150 -3.175 1.00 0.00 H new ATOM 253 N TYR A 14 0.005 1.094 -1.517 1.00 0.00 N ATOM 254 CA TYR A 14 0.017 1.929 -0.306 1.00 0.00 C ATOM 255 C TYR A 14 -0.374 1.135 0.953 1.00 0.00 C ATOM 256 O TYR A 14 0.175 1.363 2.032 1.00 0.00 O ATOM 257 CB TYR A 14 -0.920 3.131 -0.504 1.00 0.00 C ATOM 258 CG TYR A 14 -0.871 4.151 0.620 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.142 5.129 0.639 1.00 0.00 C ATOM 260 CD2 TYR A 14 -1.836 4.118 1.648 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.192 6.075 1.682 1.00 0.00 C ATOM 262 CE2 TYR A 14 -1.788 5.061 2.694 1.00 0.00 C ATOM 263 CZ TYR A 14 -0.772 6.043 2.713 1.00 0.00 C ATOM 264 OH TYR A 14 -0.718 6.961 3.717 1.00 0.00 O ATOM 0 H TYR A 14 -0.688 1.392 -2.204 1.00 0.00 H new ATOM 0 HA TYR A 14 1.036 2.281 -0.149 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.664 3.627 -1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.943 2.767 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.882 5.154 -0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.613 3.368 1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.969 6.825 1.693 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.527 5.033 3.481 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.453 6.802 4.345 1.00 0.00 H new ATOM 274 N ILE A 15 -1.280 0.158 0.820 1.00 0.00 N ATOM 275 CA ILE A 15 -1.665 -0.743 1.919 1.00 0.00 C ATOM 276 C ILE A 15 -0.461 -1.598 2.344 1.00 0.00 C ATOM 277 O ILE A 15 -0.180 -1.725 3.537 1.00 0.00 O ATOM 278 CB ILE A 15 -2.882 -1.619 1.528 1.00 0.00 C ATOM 279 CG1 ILE A 15 -4.060 -0.816 0.926 1.00 0.00 C ATOM 280 CG2 ILE A 15 -3.368 -2.442 2.736 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.547 0.376 1.764 1.00 0.00 C ATOM 0 H ILE A 15 -1.769 -0.032 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.972 -0.140 2.773 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.528 -2.286 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.762 -0.449 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.898 -1.495 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.223 -3.051 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.563 -3.090 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.662 -1.768 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.374 0.868 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.884 0.022 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.730 1.085 1.898 1.00 0.00 H new ATOM 293 N LYS A 16 0.302 -2.132 1.379 1.00 0.00 N ATOM 294 CA LYS A 16 1.540 -2.889 1.634 1.00 0.00 C ATOM 295 C LYS A 16 2.645 -2.031 2.264 1.00 0.00 C ATOM 296 O LYS A 16 3.335 -2.513 3.163 1.00 0.00 O ATOM 297 CB LYS A 16 1.981 -3.612 0.345 1.00 0.00 C ATOM 298 CG LYS A 16 3.191 -4.541 0.576 1.00 0.00 C ATOM 299 CD LYS A 16 3.035 -5.928 -0.060 1.00 0.00 C ATOM 300 CE LYS A 16 3.043 -5.873 -1.592 1.00 0.00 C ATOM 301 NZ LYS A 16 4.414 -5.725 -2.150 1.00 0.00 N ATOM 0 H LYS A 16 0.076 -2.050 0.388 1.00 0.00 H new ATOM 0 HA LYS A 16 1.331 -3.649 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.147 -4.196 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.234 -2.872 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.085 -4.065 0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.348 -4.658 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.843 -6.574 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.102 -6.378 0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.590 -6.782 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.426 -5.038 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.365 -5.693 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.840 -4.845 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.998 -6.534 -1.856 1.00 0.00 H new ATOM 315 N LEU A 17 2.789 -0.761 1.869 1.00 0.00 N ATOM 316 CA LEU A 17 3.757 0.166 2.482 1.00 0.00 C ATOM 317 C LEU A 17 3.556 0.268 3.999 1.00 0.00 C ATOM 318 O LEU A 17 4.520 0.145 4.752 1.00 0.00 O ATOM 319 CB LEU A 17 3.678 1.568 1.846 1.00 0.00 C ATOM 320 CG LEU A 17 4.274 1.693 0.434 1.00 0.00 C ATOM 321 CD1 LEU A 17 4.080 3.126 -0.067 1.00 0.00 C ATOM 322 CD2 LEU A 17 5.771 1.376 0.431 1.00 0.00 C ATOM 0 H LEU A 17 2.240 -0.344 1.117 1.00 0.00 H new ATOM 0 HA LEU A 17 4.749 -0.244 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.632 1.871 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.190 2.273 2.501 1.00 0.00 H new ATOM 0 HG LEU A 17 3.764 0.980 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.501 3.222 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.016 3.360 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.585 3.818 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.162 1.474 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.292 2.072 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.928 0.357 0.784 1.00 0.00 H new ATOM 334 N PHE A 18 2.312 0.429 4.462 1.00 0.00 N ATOM 335 CA PHE A 18 1.978 0.454 5.893 1.00 0.00 C ATOM 336 C PHE A 18 2.468 -0.806 6.631 1.00 0.00 C ATOM 337 O PHE A 18 3.057 -0.694 7.706 1.00 0.00 O ATOM 338 CB PHE A 18 0.467 0.658 6.067 1.00 0.00 C ATOM 339 CG PHE A 18 0.010 0.792 7.509 1.00 0.00 C ATOM 340 CD1 PHE A 18 -0.014 2.057 8.129 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.407 -0.344 8.230 1.00 0.00 C ATOM 342 CE1 PHE A 18 -0.471 2.187 9.453 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.861 -0.214 9.556 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.904 1.053 10.164 1.00 0.00 C ATOM 0 H PHE A 18 1.503 0.546 3.852 1.00 0.00 H new ATOM 0 HA PHE A 18 2.503 1.293 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.169 1.553 5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.055 -0.183 5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.319 2.929 7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.378 -1.318 7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.489 3.159 9.924 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.176 -1.088 10.107 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.269 1.155 11.175 1.00 0.00 H new ATOM 354 N ILE A 19 2.293 -1.997 6.041 1.00 0.00 N ATOM 355 CA ILE A 19 2.782 -3.272 6.597 1.00 0.00 C ATOM 356 C ILE A 19 4.311 -3.257 6.759 1.00 0.00 C ATOM 357 O ILE A 19 4.808 -3.658 7.809 1.00 0.00 O ATOM 358 CB ILE A 19 2.318 -4.495 5.764 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.781 -4.514 5.589 1.00 0.00 C ATOM 360 CG2 ILE A 19 2.777 -5.804 6.439 1.00 0.00 C ATOM 361 CD1 ILE A 19 0.277 -5.573 4.599 1.00 0.00 C ATOM 0 H ILE A 19 1.802 -2.106 5.153 1.00 0.00 H new ATOM 0 HA ILE A 19 2.337 -3.377 7.587 1.00 0.00 H new ATOM 0 HB ILE A 19 2.773 -4.412 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.318 -4.690 6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.452 -3.531 5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.445 -6.655 5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.865 -5.814 6.512 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.346 -5.869 7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.810 -5.521 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.710 -5.387 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.573 -6.564 4.944 1.00 0.00 H new ATOM 373 N MET A 20 5.068 -2.764 5.769 1.00 0.00 N ATOM 374 CA MET A 20 6.532 -2.628 5.882 1.00 0.00 C ATOM 375 C MET A 20 6.936 -1.649 6.997 1.00 0.00 C ATOM 376 O MET A 20 7.779 -1.976 7.837 1.00 0.00 O ATOM 377 CB MET A 20 7.174 -2.161 4.565 1.00 0.00 C ATOM 378 CG MET A 20 6.850 -3.037 3.354 1.00 0.00 C ATOM 379 SD MET A 20 7.858 -2.608 1.907 1.00 0.00 S ATOM 380 CE MET A 20 6.791 -3.241 0.588 1.00 0.00 C ATOM 0 H MET A 20 4.690 -2.450 4.875 1.00 0.00 H new ATOM 0 HA MET A 20 6.899 -3.625 6.126 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.847 -1.142 4.358 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.256 -2.129 4.695 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.013 -4.084 3.611 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.794 -2.931 3.103 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.326 -3.206 -0.361 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.511 -4.271 0.809 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.893 -2.628 0.521 1.00 0.00 H new ATOM 390 N ILE A 21 6.339 -0.450 7.004 1.00 0.00 N ATOM 391 CA ILE A 21 6.668 0.646 7.929 1.00 0.00 C ATOM 392 C ILE A 21 6.359 0.239 9.377 1.00 0.00 C ATOM 393 O ILE A 21 7.249 0.246 10.229 1.00 0.00 O ATOM 394 CB ILE A 21 5.895 1.925 7.508 1.00 0.00 C ATOM 395 CG1 ILE A 21 6.362 2.437 6.123 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.062 3.048 8.546 1.00 0.00 C ATOM 397 CD1 ILE A 21 5.336 3.358 5.447 1.00 0.00 C ATOM 0 H ILE A 21 5.594 -0.208 6.350 1.00 0.00 H new ATOM 0 HA ILE A 21 7.735 0.861 7.879 1.00 0.00 H new ATOM 0 HB ILE A 21 4.842 1.650 7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.303 2.974 6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.559 1.584 5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.509 3.929 8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.678 2.713 9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.118 3.299 8.644 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.721 3.684 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.401 2.817 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.157 4.228 6.078 1.00 0.00 H new ATOM 409 N VAL A 22 5.128 -0.199 9.661 1.00 0.00 N ATOM 410 CA VAL A 22 4.726 -0.658 11.001 1.00 0.00 C ATOM 411 C VAL A 22 5.419 -1.963 11.369 1.00 0.00 C ATOM 412 O VAL A 22 5.808 -2.123 12.520 1.00 0.00 O ATOM 413 CB VAL A 22 3.199 -0.790 11.122 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.752 -1.243 12.519 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.549 0.576 10.861 1.00 0.00 C ATOM 0 H VAL A 22 4.379 -0.247 8.970 1.00 0.00 H new ATOM 0 HA VAL A 22 5.046 0.103 11.712 1.00 0.00 H new ATOM 0 HB VAL A 22 2.892 -1.540 10.393 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.665 -1.319 12.546 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.190 -2.216 12.743 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.084 -0.516 13.261 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.466 0.486 10.946 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.912 1.297 11.593 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.807 0.916 9.858 1.00 0.00 H new ATOM 425 N GLY A 23 5.678 -2.861 10.415 1.00 0.00 N ATOM 426 CA GLY A 23 6.392 -4.117 10.658 1.00 0.00 C ATOM 427 C GLY A 23 7.788 -3.941 11.282 1.00 0.00 C ATOM 428 O GLY A 23 8.275 -4.850 11.957 1.00 0.00 O ATOM 0 H GLY A 23 5.395 -2.735 9.443 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.789 -4.743 11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.494 -4.652 9.714 1.00 0.00 H new ATOM 432 N GLY A 24 8.416 -2.771 11.095 1.00 0.00 N ATOM 433 CA GLY A 24 9.699 -2.386 11.698 1.00 0.00 C ATOM 434 C GLY A 24 9.576 -1.382 12.856 1.00 0.00 C ATOM 435 O GLY A 24 10.420 -1.386 13.753 1.00 0.00 O ATOM 0 H GLY A 24 8.029 -2.040 10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.200 -3.283 12.062 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.336 -1.956 10.925 1.00 0.00 H new ATOM 439 N LEU A 25 8.532 -0.541 12.881 1.00 0.00 N ATOM 440 CA LEU A 25 8.293 0.456 13.940 1.00 0.00 C ATOM 441 C LEU A 25 7.469 -0.063 15.135 1.00 0.00 C ATOM 442 O LEU A 25 7.527 0.531 16.211 1.00 0.00 O ATOM 443 CB LEU A 25 7.620 1.706 13.340 1.00 0.00 C ATOM 444 CG LEU A 25 8.484 2.508 12.348 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.680 3.705 11.841 1.00 0.00 C ATOM 446 CD2 LEU A 25 9.772 3.048 12.977 1.00 0.00 C ATOM 0 H LEU A 25 7.816 -0.533 12.154 1.00 0.00 H new ATOM 0 HA LEU A 25 9.275 0.701 14.344 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.706 1.398 12.833 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.325 2.366 14.156 1.00 0.00 H new ATOM 0 HG LEU A 25 8.757 1.824 11.544 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.285 4.278 11.138 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.778 3.352 11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.403 4.340 12.683 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.337 3.604 12.229 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.522 3.709 13.807 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.374 2.217 13.343 1.00 0.00 H new ATOM 458 N VAL A 26 6.730 -1.169 14.992 1.00 0.00 N ATOM 459 CA VAL A 26 5.955 -1.795 16.083 1.00 0.00 C ATOM 460 C VAL A 26 6.857 -2.374 17.181 1.00 0.00 C ATOM 461 O VAL A 26 6.505 -2.332 18.362 1.00 0.00 O ATOM 462 CB VAL A 26 4.980 -2.857 15.524 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.659 -4.140 15.021 1.00 0.00 C ATOM 464 CG2 VAL A 26 3.902 -3.242 16.539 1.00 0.00 C ATOM 0 H VAL A 26 6.649 -1.666 14.105 1.00 0.00 H new ATOM 0 HA VAL A 26 5.364 -1.010 16.554 1.00 0.00 H new ATOM 0 HB VAL A 26 4.527 -2.364 14.664 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.902 -4.829 14.647 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.354 -3.893 14.218 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.203 -4.609 15.841 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.241 -3.990 16.102 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.373 -3.652 17.432 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.323 -2.359 16.807 1.00 0.00 H new ATOM 474 N LYS A 27 8.040 -2.884 16.803 1.00 0.00 N ATOM 475 CA LYS A 27 9.009 -3.518 17.714 1.00 0.00 C ATOM 476 C LYS A 27 9.961 -2.526 18.409 1.00 0.00 C ATOM 477 O LYS A 27 10.347 -2.786 19.550 1.00 0.00 O ATOM 478 CB LYS A 27 9.735 -4.660 16.974 1.00 0.00 C ATOM 479 CG LYS A 27 10.752 -4.240 15.893 1.00 0.00 C ATOM 480 CD LYS A 27 12.202 -4.417 16.364 1.00 0.00 C ATOM 481 CE LYS A 27 13.190 -4.134 15.225 1.00 0.00 C ATOM 482 NZ LYS A 27 14.541 -4.672 15.535 1.00 0.00 N ATOM 0 H LYS A 27 8.357 -2.867 15.834 1.00 0.00 H new ATOM 0 HA LYS A 27 8.454 -3.948 18.548 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.254 -5.270 17.713 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.983 -5.296 16.507 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.589 -4.833 14.993 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.584 -3.197 15.623 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.401 -3.745 17.198 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.347 -5.433 16.732 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.821 -4.581 14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.254 -3.059 15.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.186 -4.465 14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.901 -4.227 16.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.482 -5.701 15.673 1.00 0.00 H new ATOM 496 N LYS A 28 10.243 -1.385 17.754 1.00 0.00 N ATOM 497 CA LYS A 28 11.144 -0.262 18.114 1.00 0.00 C ATOM 498 C LYS A 28 12.615 -0.601 18.440 1.00 0.00 C ATOM 499 O LYS A 28 13.480 0.228 18.074 1.00 0.00 O ATOM 500 CB LYS A 28 10.492 0.647 19.178 1.00 0.00 C ATOM 501 CG LYS A 28 9.460 1.620 18.565 1.00 0.00 C ATOM 502 CD LYS A 28 9.641 3.055 19.088 1.00 0.00 C ATOM 503 CE LYS A 28 8.895 4.112 18.256 1.00 0.00 C ATOM 504 NZ LYS A 28 7.419 3.935 18.277 1.00 0.00 N ATOM 505 OXT LYS A 28 12.928 -1.657 19.031 1.00 0.00 O ATOM 0 H LYS A 28 9.796 -1.202 16.856 1.00 0.00 H new ATOM 0 HA LYS A 28 11.253 0.288 17.180 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.003 0.029 19.930 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.267 1.218 19.689 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.557 1.615 17.479 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.453 1.274 18.797 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.292 3.104 20.119 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.704 3.297 19.100 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.141 5.104 18.634 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.246 4.068 17.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.972 4.676 17.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.176 3.001 17.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.075 4.005 19.256 1.00 0.00 H new TER 519 LYS A 28