USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 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+ -153:sc= -0.0895 (180deg=-0.69) 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= -0.0104 X(o=-0.01,f=-0.01) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.0027) 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 -146:sc= 0 (180deg=-0.428) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc=-0.00876 (180deg=-0.597) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.112 5.538 -10.115 1.00 0.00 N ATOM 2 CA LYS A 1 -15.803 6.266 -11.225 1.00 0.00 C ATOM 3 C LYS A 1 -14.819 6.707 -12.326 1.00 0.00 C ATOM 4 O LYS A 1 -14.990 6.313 -13.480 1.00 0.00 O ATOM 5 CB LYS A 1 -16.678 7.440 -10.712 1.00 0.00 C ATOM 6 CG LYS A 1 -17.753 6.993 -9.697 1.00 0.00 C ATOM 7 CD LYS A 1 -18.365 8.165 -8.911 1.00 0.00 C ATOM 8 CE LYS A 1 -18.906 7.649 -7.568 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.430 8.747 -6.714 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.781 4.885 -9.659 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.310 4.999 -10.500 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.764 6.223 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.489 5.554 -11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.036 8.188 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -17.165 7.921 -11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.546 6.465 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.310 6.285 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.613 8.936 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.168 8.624 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -19.699 6.924 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -18.112 7.125 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -19.784 8.352 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.668 9.426 -6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -20.205 9.232 -7.209 1.00 0.00 H new ATOM 25 N LYS A 2 -13.774 7.489 -11.992 1.00 0.00 N ATOM 26 CA LYS A 2 -12.758 8.060 -12.918 1.00 0.00 C ATOM 27 C LYS A 2 -11.311 7.574 -12.655 1.00 0.00 C ATOM 28 O LYS A 2 -10.351 8.189 -13.123 1.00 0.00 O ATOM 29 CB LYS A 2 -12.898 9.603 -12.894 1.00 0.00 C ATOM 30 CG LYS A 2 -14.097 10.101 -13.725 1.00 0.00 C ATOM 31 CD LYS A 2 -13.718 10.302 -15.205 1.00 0.00 C ATOM 32 CE LYS A 2 -14.926 10.555 -16.120 1.00 0.00 C ATOM 33 NZ LYS A 2 -15.665 11.799 -15.774 1.00 0.00 N ATOM 0 H LYS A 2 -13.601 7.757 -11.023 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.959 7.689 -13.923 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.011 9.938 -11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.982 10.053 -13.277 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.914 9.383 -13.652 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.461 11.041 -13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.030 11.144 -15.284 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.184 9.420 -15.558 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.586 10.616 -17.154 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.606 9.705 -16.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.468 11.918 -16.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.016 11.734 -14.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.028 12.616 -15.859 1.00 0.00 H new ATOM 47 N LYS A 3 -11.140 6.474 -11.908 1.00 0.00 N ATOM 48 CA LYS A 3 -9.842 5.838 -11.589 1.00 0.00 C ATOM 49 C LYS A 3 -9.433 4.834 -12.675 1.00 0.00 C ATOM 50 O LYS A 3 -10.204 3.935 -13.017 1.00 0.00 O ATOM 51 CB LYS A 3 -9.903 5.126 -10.222 1.00 0.00 C ATOM 52 CG LYS A 3 -9.799 6.065 -9.007 1.00 0.00 C ATOM 53 CD LYS A 3 -11.067 6.889 -8.729 1.00 0.00 C ATOM 54 CE LYS A 3 -10.998 7.596 -7.367 1.00 0.00 C ATOM 55 NZ LYS A 3 -10.065 8.756 -7.375 1.00 0.00 N ATOM 0 H LYS A 3 -11.929 5.980 -11.491 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.093 6.629 -11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.839 4.571 -10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.095 4.396 -10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.566 5.471 -8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.964 6.748 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.200 7.630 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.939 6.235 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.995 7.937 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.680 6.883 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.054 9.199 -6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.107 8.430 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.381 9.451 -8.081 1.00 0.00 H new ATOM 69 N ASN A 4 -8.216 4.975 -13.203 1.00 0.00 N ATOM 70 CA ASN A 4 -7.625 4.045 -14.173 1.00 0.00 C ATOM 71 C ASN A 4 -7.298 2.693 -13.506 1.00 0.00 C ATOM 72 O ASN A 4 -6.730 2.664 -12.412 1.00 0.00 O ATOM 73 CB ASN A 4 -6.347 4.673 -14.767 1.00 0.00 C ATOM 74 CG ASN A 4 -6.583 6.046 -15.377 1.00 0.00 C ATOM 75 OD1 ASN A 4 -7.322 6.210 -16.337 1.00 0.00 O ATOM 76 ND2 ASN A 4 -5.970 7.078 -14.837 1.00 0.00 N ATOM 0 H ASN A 4 -7.600 5.753 -12.965 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.344 3.860 -14.971 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.592 4.755 -13.985 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.944 4.008 -15.530 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.112 8.013 -15.220 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.353 6.943 -14.036 1.00 0.00 H new ATOM 83 N TRP A 5 -7.569 1.570 -14.180 1.00 0.00 N ATOM 84 CA TRP A 5 -7.216 0.217 -13.705 1.00 0.00 C ATOM 85 C TRP A 5 -5.708 0.041 -13.434 1.00 0.00 C ATOM 86 O TRP A 5 -5.311 -0.701 -12.536 1.00 0.00 O ATOM 87 CB TRP A 5 -7.711 -0.828 -14.713 1.00 0.00 C ATOM 88 CG TRP A 5 -6.913 -0.927 -15.979 1.00 0.00 C ATOM 89 CD1 TRP A 5 -6.968 -0.069 -17.025 1.00 0.00 C ATOM 90 CD2 TRP A 5 -5.906 -1.927 -16.333 1.00 0.00 C ATOM 91 NE1 TRP A 5 -6.054 -0.458 -17.989 1.00 0.00 N ATOM 92 CE2 TRP A 5 -5.377 -1.599 -17.616 1.00 0.00 C ATOM 93 CE3 TRP A 5 -5.387 -3.078 -15.698 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -4.385 -2.371 -18.240 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -4.397 -3.866 -16.319 1.00 0.00 C ATOM 96 CH2 TRP A 5 -3.896 -3.514 -17.586 1.00 0.00 C ATOM 0 H TRP A 5 -8.045 1.569 -15.082 1.00 0.00 H new ATOM 0 HA TRP A 5 -7.713 0.073 -12.746 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.714 -1.804 -14.228 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.745 -0.598 -14.972 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -7.623 0.786 -17.096 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.901 0.038 -18.867 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.755 -3.358 -14.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.003 -2.090 -19.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -4.020 -4.746 -15.819 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.136 -4.122 -18.055 1.00 0.00 H new ATOM 107 N PHE A 6 -4.866 0.777 -14.169 1.00 0.00 N ATOM 108 CA PHE A 6 -3.414 0.824 -13.986 1.00 0.00 C ATOM 109 C PHE A 6 -3.000 1.406 -12.618 1.00 0.00 C ATOM 110 O PHE A 6 -1.959 1.043 -12.077 1.00 0.00 O ATOM 111 CB PHE A 6 -2.806 1.636 -15.141 1.00 0.00 C ATOM 112 CG PHE A 6 -1.341 1.340 -15.395 1.00 0.00 C ATOM 113 CD1 PHE A 6 -0.986 0.263 -16.230 1.00 0.00 C ATOM 114 CD2 PHE A 6 -0.333 2.126 -14.803 1.00 0.00 C ATOM 115 CE1 PHE A 6 0.369 -0.029 -16.472 1.00 0.00 C ATOM 116 CE2 PHE A 6 1.022 1.834 -15.045 1.00 0.00 C ATOM 117 CZ PHE A 6 1.373 0.757 -15.878 1.00 0.00 C ATOM 0 H PHE A 6 -5.188 1.374 -14.931 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.031 -0.196 -13.998 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.371 1.434 -16.051 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.920 2.698 -14.925 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.756 -0.341 -16.686 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.600 2.954 -14.163 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.638 -0.856 -17.113 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.793 2.438 -14.590 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.413 0.533 -16.062 1.00 0.00 H new ATOM 127 N ASP A 7 -3.828 2.274 -12.023 1.00 0.00 N ATOM 128 CA ASP A 7 -3.616 2.828 -10.680 1.00 0.00 C ATOM 129 C ASP A 7 -4.069 1.847 -9.577 1.00 0.00 C ATOM 130 O ASP A 7 -3.444 1.773 -8.521 1.00 0.00 O ATOM 131 CB ASP A 7 -4.353 4.174 -10.565 1.00 0.00 C ATOM 132 CG ASP A 7 -3.695 5.116 -9.543 1.00 0.00 C ATOM 133 OD1 ASP A 7 -2.611 5.669 -9.848 1.00 0.00 O ATOM 134 OD2 ASP A 7 -4.281 5.348 -8.458 1.00 0.00 O ATOM 0 H ASP A 7 -4.679 2.617 -12.469 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.548 2.989 -10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.374 4.659 -11.541 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.389 3.995 -10.276 1.00 0.00 H new ATOM 139 N ILE A 8 -5.106 1.033 -9.829 1.00 0.00 N ATOM 140 CA ILE A 8 -5.612 0.008 -8.893 1.00 0.00 C ATOM 141 C ILE A 8 -4.514 -0.995 -8.509 1.00 0.00 C ATOM 142 O ILE A 8 -4.303 -1.256 -7.322 1.00 0.00 O ATOM 143 CB ILE A 8 -6.852 -0.721 -9.466 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.007 0.231 -9.858 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.370 -1.804 -8.500 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.525 1.153 -8.747 1.00 0.00 C ATOM 0 H ILE A 8 -5.628 1.067 -10.704 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.921 0.526 -7.985 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.504 -1.194 -10.384 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.674 0.850 -10.691 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.840 -0.371 -10.221 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.241 -2.294 -8.936 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.587 -2.542 -8.327 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.650 -1.343 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.332 1.774 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.898 0.551 -7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.714 1.791 -8.396 1.00 0.00 H new ATOM 158 N THR A 9 -3.773 -1.532 -9.488 1.00 0.00 N ATOM 159 CA THR A 9 -2.642 -2.438 -9.201 1.00 0.00 C ATOM 160 C THR A 9 -1.519 -1.747 -8.416 1.00 0.00 C ATOM 161 O THR A 9 -0.836 -2.407 -7.630 1.00 0.00 O ATOM 162 CB THR A 9 -2.124 -3.150 -10.464 1.00 0.00 C ATOM 163 OG1 THR A 9 -1.313 -4.254 -10.115 1.00 0.00 O ATOM 164 CG2 THR A 9 -1.330 -2.262 -11.419 1.00 0.00 C ATOM 0 H THR A 9 -3.931 -1.359 -10.481 1.00 0.00 H new ATOM 0 HA THR A 9 -3.035 -3.218 -8.548 1.00 0.00 H new ATOM 0 HB THR A 9 -3.026 -3.463 -10.990 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.994 -4.696 -10.929 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.007 -2.850 -12.278 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.959 -1.439 -11.758 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.457 -1.863 -10.903 1.00 0.00 H new ATOM 172 N ASN A 10 -1.330 -0.426 -8.566 1.00 0.00 N ATOM 173 CA ASN A 10 -0.350 0.320 -7.770 1.00 0.00 C ATOM 174 C ASN A 10 -0.783 0.389 -6.290 1.00 0.00 C ATOM 175 O ASN A 10 0.066 0.326 -5.403 1.00 0.00 O ATOM 176 CB ASN A 10 -0.090 1.732 -8.339 1.00 0.00 C ATOM 177 CG ASN A 10 0.528 1.802 -9.732 1.00 0.00 C ATOM 178 OD1 ASN A 10 0.246 2.704 -10.507 1.00 0.00 O ATOM 179 ND2 ASN A 10 1.442 0.924 -10.087 1.00 0.00 N ATOM 0 H ASN A 10 -1.846 0.146 -9.234 1.00 0.00 H new ATOM 0 HA ASN A 10 0.593 -0.224 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.037 2.272 -8.359 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.565 2.263 -7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.901 1.004 -10.995 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.692 0.164 -9.455 1.00 0.00 H new ATOM 186 N TRP A 11 -2.087 0.468 -5.995 1.00 0.00 N ATOM 187 CA TRP A 11 -2.588 0.428 -4.614 1.00 0.00 C ATOM 188 C TRP A 11 -2.482 -0.965 -3.983 1.00 0.00 C ATOM 189 O TRP A 11 -2.164 -1.060 -2.800 1.00 0.00 O ATOM 190 CB TRP A 11 -4.018 0.971 -4.528 1.00 0.00 C ATOM 191 CG TRP A 11 -4.087 2.448 -4.741 1.00 0.00 C ATOM 192 CD1 TRP A 11 -4.544 3.060 -5.854 1.00 0.00 C ATOM 193 CD2 TRP A 11 -3.609 3.514 -3.862 1.00 0.00 C ATOM 194 NE1 TRP A 11 -4.332 4.421 -5.754 1.00 0.00 N ATOM 195 CE2 TRP A 11 -3.774 4.761 -4.539 1.00 0.00 C ATOM 196 CE3 TRP A 11 -3.031 3.552 -2.574 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -3.379 5.982 -3.969 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -2.642 4.773 -1.988 1.00 0.00 C ATOM 199 CH2 TRP A 11 -2.812 5.985 -2.682 1.00 0.00 C ATOM 0 H TRP A 11 -2.819 0.561 -6.699 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.940 1.081 -4.029 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.638 0.471 -5.273 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.436 0.729 -3.551 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.005 2.562 -6.694 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.560 5.092 -6.488 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.885 2.631 -2.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.509 6.907 -4.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.210 4.779 -0.998 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.508 6.916 -2.227 1.00 0.00 H new ATOM 210 N LEU A 12 -2.682 -2.042 -4.754 1.00 0.00 N ATOM 211 CA LEU A 12 -2.630 -3.431 -4.265 1.00 0.00 C ATOM 212 C LEU A 12 -1.357 -3.742 -3.456 1.00 0.00 C ATOM 213 O LEU A 12 -1.445 -4.262 -2.341 1.00 0.00 O ATOM 214 CB LEU A 12 -2.794 -4.418 -5.441 1.00 0.00 C ATOM 215 CG LEU A 12 -4.060 -5.294 -5.412 1.00 0.00 C ATOM 216 CD1 LEU A 12 -4.185 -6.119 -4.128 1.00 0.00 C ATOM 217 CD2 LEU A 12 -5.330 -4.468 -5.614 1.00 0.00 C ATOM 0 H LEU A 12 -2.888 -1.974 -5.751 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.464 -3.554 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.790 -3.849 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.923 -5.073 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.950 -5.987 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.096 -6.716 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.323 -6.779 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.225 -5.450 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.199 -5.125 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.411 -3.725 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.286 -3.964 -6.579 1.00 0.00 H new ATOM 229 N TRP A 13 -0.178 -3.404 -3.991 1.00 0.00 N ATOM 230 CA TRP A 13 1.094 -3.567 -3.274 1.00 0.00 C ATOM 231 C TRP A 13 1.329 -2.475 -2.214 1.00 0.00 C ATOM 232 O TRP A 13 1.909 -2.765 -1.169 1.00 0.00 O ATOM 233 CB TRP A 13 2.265 -3.666 -4.264 1.00 0.00 C ATOM 234 CG TRP A 13 2.712 -2.387 -4.908 1.00 0.00 C ATOM 235 CD1 TRP A 13 2.224 -1.870 -6.058 1.00 0.00 C ATOM 236 CD2 TRP A 13 3.750 -1.460 -4.460 1.00 0.00 C ATOM 237 NE1 TRP A 13 2.852 -0.665 -6.322 1.00 0.00 N ATOM 238 CE2 TRP A 13 3.781 -0.352 -5.358 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.674 -1.441 -3.394 1.00 0.00 C ATOM 240 CZ2 TRP A 13 4.639 0.743 -5.183 1.00 0.00 C ATOM 241 CZ3 TRP A 13 5.575 -0.370 -3.235 1.00 0.00 C ATOM 242 CH2 TRP A 13 5.544 0.732 -4.108 1.00 0.00 C ATOM 0 H TRP A 13 -0.078 -3.012 -4.927 1.00 0.00 H new ATOM 0 HA TRP A 13 1.033 -4.505 -2.723 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.117 -4.100 -3.741 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.986 -4.365 -5.053 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.463 -2.326 -6.674 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.650 -0.080 -7.133 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.691 -2.260 -2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.605 1.581 -5.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.298 -0.395 -2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.213 1.566 -3.953 1.00 0.00 H new ATOM 253 N TYR A 14 0.841 -1.246 -2.428 1.00 0.00 N ATOM 254 CA TYR A 14 0.986 -0.114 -1.495 1.00 0.00 C ATOM 255 C TYR A 14 0.285 -0.354 -0.144 1.00 0.00 C ATOM 256 O TYR A 14 0.799 0.028 0.908 1.00 0.00 O ATOM 257 CB TYR A 14 0.450 1.161 -2.159 1.00 0.00 C ATOM 258 CG TYR A 14 0.776 2.457 -1.438 1.00 0.00 C ATOM 259 CD1 TYR A 14 -0.024 2.897 -0.364 1.00 0.00 C ATOM 260 CD2 TYR A 14 1.856 3.248 -1.877 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.248 4.127 0.266 1.00 0.00 C ATOM 262 CE2 TYR A 14 2.125 4.485 -1.258 1.00 0.00 C ATOM 263 CZ TYR A 14 1.318 4.931 -0.189 1.00 0.00 C ATOM 264 OH TYR A 14 1.569 6.139 0.389 1.00 0.00 O ATOM 0 H TYR A 14 0.323 -1.003 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 14 2.048 -0.005 -1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.849 1.218 -3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.633 1.077 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.849 2.289 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.479 2.906 -2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.360 4.456 1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.949 5.092 -1.602 1.00 0.00 H new ATOM 0 HH TYR A 14 2.341 6.556 -0.047 1.00 0.00 H new ATOM 274 N ILE A 15 -0.875 -1.023 -0.150 1.00 0.00 N ATOM 275 CA ILE A 15 -1.611 -1.393 1.068 1.00 0.00 C ATOM 276 C ILE A 15 -0.739 -2.295 1.960 1.00 0.00 C ATOM 277 O ILE A 15 -0.498 -1.970 3.123 1.00 0.00 O ATOM 278 CB ILE A 15 -2.967 -2.046 0.712 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.891 -1.073 -0.062 1.00 0.00 C ATOM 280 CG2 ILE A 15 -3.688 -2.509 1.991 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.840 -1.809 -1.016 1.00 0.00 C ATOM 0 H ILE A 15 -1.334 -1.326 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.837 -0.492 1.638 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.752 -2.901 0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.475 -0.487 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.281 -0.370 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.641 -2.967 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.069 -3.237 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.865 -1.651 2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.467 -1.085 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.258 -2.374 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.470 -2.492 -0.447 1.00 0.00 H new ATOM 293 N LYS A 16 -0.211 -3.399 1.409 1.00 0.00 N ATOM 294 CA LYS A 16 0.727 -4.306 2.101 1.00 0.00 C ATOM 295 C LYS A 16 2.078 -3.655 2.431 1.00 0.00 C ATOM 296 O LYS A 16 2.663 -3.976 3.466 1.00 0.00 O ATOM 297 CB LYS A 16 0.889 -5.598 1.284 1.00 0.00 C ATOM 298 CG LYS A 16 -0.334 -6.527 1.452 1.00 0.00 C ATOM 299 CD LYS A 16 -1.027 -6.945 0.148 1.00 0.00 C ATOM 300 CE LYS A 16 -0.071 -7.673 -0.810 1.00 0.00 C ATOM 301 NZ LYS A 16 -0.781 -8.687 -1.634 1.00 0.00 N ATOM 0 H LYS A 16 -0.425 -3.694 0.456 1.00 0.00 H new ATOM 0 HA LYS A 16 0.294 -4.550 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.018 -5.350 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.791 -6.121 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.016 -7.427 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.065 -6.027 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.871 -7.595 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.431 -6.061 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.411 -6.946 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.718 -8.159 -0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.103 -9.156 -2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.220 -9.395 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.517 -8.220 -2.201 1.00 0.00 H new ATOM 315 N LEU A 17 2.556 -2.716 1.608 1.00 0.00 N ATOM 316 CA LEU A 17 3.778 -1.938 1.855 1.00 0.00 C ATOM 317 C LEU A 17 3.667 -1.177 3.185 1.00 0.00 C ATOM 318 O LEU A 17 4.594 -1.207 3.994 1.00 0.00 O ATOM 319 CB LEU A 17 4.041 -0.986 0.673 1.00 0.00 C ATOM 320 CG LEU A 17 5.195 0.013 0.878 1.00 0.00 C ATOM 321 CD1 LEU A 17 6.548 -0.696 0.934 1.00 0.00 C ATOM 322 CD2 LEU A 17 5.185 1.084 -0.220 1.00 0.00 C ATOM 0 H LEU A 17 2.095 -2.469 0.732 1.00 0.00 H new ATOM 0 HA LEU A 17 4.628 -2.615 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.253 -1.584 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.129 -0.425 0.469 1.00 0.00 H new ATOM 0 HG LEU A 17 5.042 0.503 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.339 0.040 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.554 -1.404 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.718 -1.231 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.008 1.780 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.300 0.608 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.240 1.626 -0.191 1.00 0.00 H new ATOM 334 N PHE A 18 2.522 -0.536 3.441 1.00 0.00 N ATOM 335 CA PHE A 18 2.261 0.132 4.717 1.00 0.00 C ATOM 336 C PHE A 18 2.435 -0.834 5.903 1.00 0.00 C ATOM 337 O PHE A 18 3.138 -0.515 6.860 1.00 0.00 O ATOM 338 CB PHE A 18 0.871 0.784 4.695 1.00 0.00 C ATOM 339 CG PHE A 18 0.707 1.853 5.759 1.00 0.00 C ATOM 340 CD1 PHE A 18 1.106 3.175 5.486 1.00 0.00 C ATOM 341 CD2 PHE A 18 0.196 1.527 7.031 1.00 0.00 C ATOM 342 CE1 PHE A 18 0.994 4.168 6.476 1.00 0.00 C ATOM 343 CE2 PHE A 18 0.082 2.522 8.021 1.00 0.00 C ATOM 344 CZ PHE A 18 0.483 3.841 7.745 1.00 0.00 C ATOM 0 H PHE A 18 1.755 -0.467 2.773 1.00 0.00 H new ATOM 0 HA PHE A 18 2.998 0.923 4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.697 1.225 3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.112 0.015 4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.500 3.428 4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.108 0.514 7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.300 5.181 6.262 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.314 2.271 8.994 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.399 4.602 8.506 1.00 0.00 H new ATOM 354 N ILE A 19 1.867 -2.044 5.816 1.00 0.00 N ATOM 355 CA ILE A 19 1.980 -3.086 6.853 1.00 0.00 C ATOM 356 C ILE A 19 3.444 -3.482 7.098 1.00 0.00 C ATOM 357 O ILE A 19 3.888 -3.455 8.246 1.00 0.00 O ATOM 358 CB ILE A 19 1.120 -4.338 6.544 1.00 0.00 C ATOM 359 CG1 ILE A 19 -0.318 -3.973 6.109 1.00 0.00 C ATOM 360 CG2 ILE A 19 1.080 -5.233 7.799 1.00 0.00 C ATOM 361 CD1 ILE A 19 -1.176 -5.177 5.698 1.00 0.00 C ATOM 0 H ILE A 19 1.308 -2.334 5.014 1.00 0.00 H new ATOM 0 HA ILE A 19 1.584 -2.644 7.768 1.00 0.00 H new ATOM 0 HB ILE A 19 1.578 -4.867 5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.812 -3.452 6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.267 -3.276 5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.478 -6.118 7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.093 -5.536 8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.641 -4.678 8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.169 -4.834 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.708 -5.687 4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.262 -5.866 6.538 1.00 0.00 H new ATOM 373 N MET A 20 4.211 -3.837 6.057 1.00 0.00 N ATOM 374 CA MET A 20 5.616 -4.259 6.225 1.00 0.00 C ATOM 375 C MET A 20 6.510 -3.159 6.833 1.00 0.00 C ATOM 376 O MET A 20 7.423 -3.472 7.600 1.00 0.00 O ATOM 377 CB MET A 20 6.201 -4.835 4.921 1.00 0.00 C ATOM 378 CG MET A 20 6.393 -3.812 3.804 1.00 0.00 C ATOM 379 SD MET A 20 7.178 -4.448 2.295 1.00 0.00 S ATOM 380 CE MET A 20 5.787 -5.311 1.508 1.00 0.00 C ATOM 0 H MET A 20 3.886 -3.842 5.090 1.00 0.00 H new ATOM 0 HA MET A 20 5.606 -5.067 6.956 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.163 -5.296 5.143 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.543 -5.627 4.562 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.419 -3.399 3.541 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.995 -2.988 4.188 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.156 -6.190 0.980 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.072 -5.620 2.271 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.297 -4.642 0.801 1.00 0.00 H new ATOM 390 N ILE A 21 6.232 -1.880 6.545 1.00 0.00 N ATOM 391 CA ILE A 21 6.933 -0.730 7.140 1.00 0.00 C ATOM 392 C ILE A 21 6.551 -0.589 8.624 1.00 0.00 C ATOM 393 O ILE A 21 7.424 -0.598 9.496 1.00 0.00 O ATOM 394 CB ILE A 21 6.633 0.565 6.349 1.00 0.00 C ATOM 395 CG1 ILE A 21 7.223 0.517 4.921 1.00 0.00 C ATOM 396 CG2 ILE A 21 7.201 1.780 7.104 1.00 0.00 C ATOM 397 CD1 ILE A 21 6.589 1.562 3.992 1.00 0.00 C ATOM 0 H ILE A 21 5.504 -1.610 5.883 1.00 0.00 H new ATOM 0 HA ILE A 21 8.008 -0.903 7.083 1.00 0.00 H new ATOM 0 HB ILE A 21 5.550 0.655 6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.299 0.683 4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.072 -0.478 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.987 2.690 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.739 1.844 8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.279 1.668 7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.037 1.488 3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.516 1.381 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.763 2.560 4.395 1.00 0.00 H new ATOM 409 N VAL A 22 5.251 -0.505 8.933 1.00 0.00 N ATOM 410 CA VAL A 22 4.730 -0.399 10.311 1.00 0.00 C ATOM 411 C VAL A 22 5.172 -1.578 11.172 1.00 0.00 C ATOM 412 O VAL A 22 5.486 -1.377 12.339 1.00 0.00 O ATOM 413 CB VAL A 22 3.196 -0.274 10.322 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.581 -0.232 11.727 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.763 1.040 9.658 1.00 0.00 C ATOM 0 H VAL A 22 4.516 -0.508 8.225 1.00 0.00 H new ATOM 0 HA VAL A 22 5.151 0.510 10.741 1.00 0.00 H new ATOM 0 HB VAL A 22 2.849 -1.163 9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.498 -0.143 11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.832 -1.148 12.261 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.976 0.625 12.272 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.676 1.114 9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.192 1.881 10.202 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.114 1.059 8.626 1.00 0.00 H new ATOM 425 N GLY A 23 5.307 -2.781 10.607 1.00 0.00 N ATOM 426 CA GLY A 23 5.793 -3.966 11.317 1.00 0.00 C ATOM 427 C GLY A 23 7.167 -3.789 11.992 1.00 0.00 C ATOM 428 O GLY A 23 7.468 -4.488 12.962 1.00 0.00 O ATOM 0 H GLY A 23 5.078 -2.961 9.629 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.062 -4.244 12.077 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.852 -4.796 10.613 1.00 0.00 H new ATOM 432 N GLY A 24 7.987 -2.843 11.509 1.00 0.00 N ATOM 433 CA GLY A 24 9.284 -2.456 12.080 1.00 0.00 C ATOM 434 C GLY A 24 9.305 -1.052 12.710 1.00 0.00 C ATOM 435 O GLY A 24 10.150 -0.790 13.565 1.00 0.00 O ATOM 0 H GLY A 24 7.753 -2.305 10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.566 -3.186 12.839 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.041 -2.501 11.297 1.00 0.00 H new ATOM 439 N LEU A 25 8.381 -0.152 12.338 1.00 0.00 N ATOM 440 CA LEU A 25 8.264 1.202 12.910 1.00 0.00 C ATOM 441 C LEU A 25 7.325 1.308 14.128 1.00 0.00 C ATOM 442 O LEU A 25 7.452 2.253 14.906 1.00 0.00 O ATOM 443 CB LEU A 25 7.821 2.204 11.826 1.00 0.00 C ATOM 444 CG LEU A 25 8.840 2.483 10.705 1.00 0.00 C ATOM 445 CD1 LEU A 25 8.307 3.624 9.836 1.00 0.00 C ATOM 446 CD2 LEU A 25 10.212 2.916 11.228 1.00 0.00 C ATOM 0 H LEU A 25 7.683 -0.346 11.620 1.00 0.00 H new ATOM 0 HA LEU A 25 9.261 1.445 13.277 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.903 1.833 11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.577 3.149 12.311 1.00 0.00 H new ATOM 0 HG LEU A 25 8.965 1.551 10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.017 3.835 9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.349 3.335 9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.175 4.516 10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.882 3.096 10.387 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.107 3.831 11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.626 2.129 11.859 1.00 0.00 H new ATOM 458 N VAL A 26 6.411 0.354 14.341 1.00 0.00 N ATOM 459 CA VAL A 26 5.478 0.333 15.489 1.00 0.00 C ATOM 460 C VAL A 26 6.209 0.224 16.836 1.00 0.00 C ATOM 461 O VAL A 26 5.786 0.819 17.829 1.00 0.00 O ATOM 462 CB VAL A 26 4.428 -0.788 15.313 1.00 0.00 C ATOM 463 CG1 VAL A 26 4.999 -2.210 15.427 1.00 0.00 C ATOM 464 CG2 VAL A 26 3.258 -0.647 16.289 1.00 0.00 C ATOM 0 H VAL A 26 6.292 -0.441 13.714 1.00 0.00 H new ATOM 0 HA VAL A 26 4.955 1.289 15.505 1.00 0.00 H new ATOM 0 HB VAL A 26 4.074 -0.654 14.291 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.197 -2.936 15.291 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.758 -2.360 14.659 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.447 -2.344 16.411 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.548 -1.458 16.125 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.630 -0.692 17.312 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.761 0.309 16.125 1.00 0.00 H new ATOM 474 N LYS A 27 7.334 -0.506 16.858 1.00 0.00 N ATOM 475 CA LYS A 27 8.202 -0.711 18.031 1.00 0.00 C ATOM 476 C LYS A 27 9.240 0.405 18.246 1.00 0.00 C ATOM 477 O LYS A 27 9.639 0.641 19.390 1.00 0.00 O ATOM 478 CB LYS A 27 8.881 -2.089 17.910 1.00 0.00 C ATOM 479 CG LYS A 27 9.996 -2.105 16.851 1.00 0.00 C ATOM 480 CD LYS A 27 10.472 -3.505 16.469 1.00 0.00 C ATOM 481 CE LYS A 27 11.077 -4.268 17.656 1.00 0.00 C ATOM 482 NZ LYS A 27 11.477 -5.649 17.277 1.00 0.00 N ATOM 0 H LYS A 27 7.679 -0.989 16.028 1.00 0.00 H new ATOM 0 HA LYS A 27 7.568 -0.675 18.917 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.298 -2.371 18.877 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.132 -2.839 17.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.639 -1.597 15.955 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.846 -1.533 17.224 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.633 -4.073 16.067 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.215 -3.428 15.675 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.946 -3.728 18.031 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.352 -4.309 18.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.881 -6.133 18.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.643 -6.173 16.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.187 -5.609 16.518 1.00 0.00 H new ATOM 496 N LYS A 28 9.690 1.057 17.162 1.00 0.00 N ATOM 497 CA LYS A 28 10.717 2.120 17.157 1.00 0.00 C ATOM 498 C LYS A 28 10.358 3.304 18.073 1.00 0.00 C ATOM 499 O LYS A 28 9.223 3.827 17.985 1.00 0.00 O ATOM 500 CB LYS A 28 10.996 2.606 15.717 1.00 0.00 C ATOM 501 CG LYS A 28 12.072 1.781 14.989 1.00 0.00 C ATOM 502 CD LYS A 28 13.520 2.066 15.440 1.00 0.00 C ATOM 503 CE LYS A 28 14.201 3.244 14.717 1.00 0.00 C ATOM 504 NZ LYS A 28 13.777 4.579 15.220 1.00 0.00 N ATOM 505 OXT LYS A 28 11.239 3.725 18.856 1.00 0.00 O ATOM 0 H LYS A 28 9.337 0.853 16.227 1.00 0.00 H new ATOM 0 HA LYS A 28 11.626 1.677 17.563 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.070 2.568 15.143 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.309 3.650 15.748 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.861 0.722 15.139 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.995 1.973 13.919 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.519 2.267 16.511 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.118 1.168 15.284 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.281 3.150 14.826 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.982 3.181 13.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.486 5.292 14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.859 4.832 14.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.689 4.548 16.256 1.00 0.00 H new TER 519 LYS A 28