USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 244 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 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 1 ASN N :NH3+ -164:sc= 0 (180deg=-0.272) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -63:sc= 0.546 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.150 -6.693 -14.843 1.00 0.00 N ATOM 2 CA ASN A 1 -13.615 -6.401 -13.459 1.00 0.00 C ATOM 3 C ASN A 1 -12.468 -5.831 -12.616 1.00 0.00 C ATOM 4 O ASN A 1 -12.490 -4.646 -12.290 1.00 0.00 O ATOM 5 CB ASN A 1 -14.318 -7.606 -12.780 1.00 0.00 C ATOM 6 CG ASN A 1 -15.275 -8.343 -13.718 1.00 0.00 C ATOM 7 OD1 ASN A 1 -14.970 -9.415 -14.220 1.00 0.00 O ATOM 8 ND2 ASN A 1 -16.423 -7.783 -14.046 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.973 -6.816 -15.467 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.569 -5.903 -15.188 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.583 -7.565 -14.842 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.388 -5.636 -13.533 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.563 -8.304 -12.418 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.870 -7.254 -11.909 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -17.044 -8.244 -14.711 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -16.690 -6.889 -13.635 1.00 0.00 H new ATOM 17 N GLU A 2 -11.437 -6.626 -12.297 1.00 0.00 N ATOM 18 CA GLU A 2 -10.289 -6.197 -11.471 1.00 0.00 C ATOM 19 C GLU A 2 -9.514 -5.012 -12.077 1.00 0.00 C ATOM 20 O GLU A 2 -9.193 -4.066 -11.361 1.00 0.00 O ATOM 21 CB GLU A 2 -9.346 -7.393 -11.210 1.00 0.00 C ATOM 22 CG GLU A 2 -9.094 -7.599 -9.709 1.00 0.00 C ATOM 23 CD GLU A 2 -8.094 -8.741 -9.423 1.00 0.00 C ATOM 24 OE1 GLU A 2 -8.201 -9.834 -10.034 1.00 0.00 O ATOM 25 OE2 GLU A 2 -7.202 -8.565 -8.556 1.00 0.00 O ATOM 0 H GLU A 2 -11.372 -7.596 -12.606 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.696 -5.841 -10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.780 -8.298 -11.634 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.397 -7.226 -11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.714 -6.673 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.040 -7.817 -9.213 1.00 0.00 H new ATOM 32 N GLN A 3 -9.253 -5.022 -13.394 1.00 0.00 N ATOM 33 CA GLN A 3 -8.515 -3.952 -14.088 1.00 0.00 C ATOM 34 C GLN A 3 -9.185 -2.570 -13.979 1.00 0.00 C ATOM 35 O GLN A 3 -8.494 -1.562 -13.834 1.00 0.00 O ATOM 36 CB GLN A 3 -8.296 -4.298 -15.570 1.00 0.00 C ATOM 37 CG GLN A 3 -7.334 -5.479 -15.777 1.00 0.00 C ATOM 38 CD GLN A 3 -6.820 -5.546 -17.217 1.00 0.00 C ATOM 39 OE1 GLN A 3 -5.649 -5.323 -17.501 1.00 0.00 O ATOM 40 NE2 GLN A 3 -7.661 -5.843 -18.187 1.00 0.00 N ATOM 0 H GLN A 3 -9.550 -5.777 -14.012 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.554 -3.887 -13.577 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -9.257 -4.535 -16.028 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.904 -3.422 -16.087 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.490 -5.385 -15.094 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.843 -6.410 -15.529 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.640 -6.032 -17.973 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.333 -5.884 -19.152 1.00 0.00 H new ATOM 49 N GLU A 4 -10.522 -2.503 -14.018 1.00 0.00 N ATOM 50 CA GLU A 4 -11.257 -1.236 -13.857 1.00 0.00 C ATOM 51 C GLU A 4 -11.219 -0.703 -12.413 1.00 0.00 C ATOM 52 O GLU A 4 -11.333 0.505 -12.204 1.00 0.00 O ATOM 53 CB GLU A 4 -12.713 -1.370 -14.332 1.00 0.00 C ATOM 54 CG GLU A 4 -12.816 -1.757 -15.815 1.00 0.00 C ATOM 55 CD GLU A 4 -14.148 -1.281 -16.430 1.00 0.00 C ATOM 56 OE1 GLU A 4 -15.218 -1.844 -16.090 1.00 0.00 O ATOM 57 OE2 GLU A 4 -14.135 -0.343 -17.266 1.00 0.00 O ATOM 0 H GLU A 4 -11.122 -3.315 -14.160 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.744 -0.509 -14.486 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.221 -2.122 -13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.233 -0.426 -14.169 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.983 -1.320 -16.365 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.733 -2.839 -15.917 1.00 0.00 H new ATOM 64 N LEU A 5 -11.023 -1.577 -11.415 1.00 0.00 N ATOM 65 CA LEU A 5 -10.859 -1.201 -10.004 1.00 0.00 C ATOM 66 C LEU A 5 -9.391 -0.894 -9.634 1.00 0.00 C ATOM 67 O LEU A 5 -9.128 -0.160 -8.679 1.00 0.00 O ATOM 68 CB LEU A 5 -11.429 -2.326 -9.114 1.00 0.00 C ATOM 69 CG LEU A 5 -12.203 -1.762 -7.907 1.00 0.00 C ATOM 70 CD1 LEU A 5 -13.624 -1.356 -8.315 1.00 0.00 C ATOM 71 CD2 LEU A 5 -12.309 -2.803 -6.793 1.00 0.00 C ATOM 0 H LEU A 5 -10.973 -2.584 -11.569 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.411 -0.277 -9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.090 -2.959 -9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.614 -2.958 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.653 -0.891 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.153 -0.961 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.575 -0.591 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.156 -2.227 -8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.859 -2.381 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.834 -3.683 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.309 -3.089 -6.466 1.00 0.00 H new ATOM 83 N LEU A 6 -8.432 -1.418 -10.408 1.00 0.00 N ATOM 84 CA LEU A 6 -6.978 -1.282 -10.223 1.00 0.00 C ATOM 85 C LEU A 6 -6.509 0.189 -10.191 1.00 0.00 C ATOM 86 O LEU A 6 -5.521 0.521 -9.536 1.00 0.00 O ATOM 87 CB LEU A 6 -6.258 -2.097 -11.321 1.00 0.00 C ATOM 88 CG LEU A 6 -5.114 -2.999 -10.819 1.00 0.00 C ATOM 89 CD1 LEU A 6 -4.656 -3.918 -11.955 1.00 0.00 C ATOM 90 CD2 LEU A 6 -3.895 -2.217 -10.334 1.00 0.00 C ATOM 0 H LEU A 6 -8.661 -1.981 -11.227 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.716 -1.682 -9.243 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.993 -2.719 -11.832 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.857 -1.405 -12.061 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.514 -3.559 -9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.847 -4.557 -11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.491 -4.537 -12.281 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.303 -3.315 -12.791 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.128 -2.913 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.501 -1.613 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.185 -1.566 -9.509 1.00 0.00 H new ATOM 102 N GLU A 7 -7.247 1.089 -10.848 1.00 0.00 N ATOM 103 CA GLU A 7 -7.002 2.540 -10.832 1.00 0.00 C ATOM 104 C GLU A 7 -7.048 3.132 -9.406 1.00 0.00 C ATOM 105 O GLU A 7 -6.266 4.030 -9.077 1.00 0.00 O ATOM 106 CB GLU A 7 -7.986 3.239 -11.794 1.00 0.00 C ATOM 107 CG GLU A 7 -9.479 3.178 -11.401 1.00 0.00 C ATOM 108 CD GLU A 7 -10.032 4.479 -10.772 1.00 0.00 C ATOM 109 OE1 GLU A 7 -9.303 5.195 -10.046 1.00 0.00 O ATOM 110 OE2 GLU A 7 -11.226 4.798 -11.001 1.00 0.00 O ATOM 0 H GLU A 7 -8.050 0.826 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.987 2.722 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.696 4.286 -11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.873 2.795 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.066 2.941 -12.289 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.623 2.359 -10.696 1.00 0.00 H new ATOM 117 N LEU A 8 -7.904 2.575 -8.538 1.00 0.00 N ATOM 118 CA LEU A 8 -8.052 2.936 -7.123 1.00 0.00 C ATOM 119 C LEU A 8 -7.179 2.044 -6.213 1.00 0.00 C ATOM 120 O LEU A 8 -6.703 2.494 -5.172 1.00 0.00 O ATOM 121 CB LEU A 8 -9.552 2.865 -6.759 1.00 0.00 C ATOM 122 CG LEU A 8 -10.043 4.014 -5.856 1.00 0.00 C ATOM 123 CD1 LEU A 8 -11.561 3.929 -5.695 1.00 0.00 C ATOM 124 CD2 LEU A 8 -9.429 3.998 -4.456 1.00 0.00 C ATOM 0 H LEU A 8 -8.540 1.828 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.695 3.953 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.137 2.866 -7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.747 1.917 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.733 4.935 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.905 4.742 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.036 4.010 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.826 2.974 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.820 4.835 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.683 3.062 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.345 4.086 -4.533 1.00 0.00 H new ATOM 136 N ASP A 9 -6.890 0.803 -6.622 1.00 0.00 N ATOM 137 CA ASP A 9 -5.983 -0.103 -5.895 1.00 0.00 C ATOM 138 C ASP A 9 -4.580 0.509 -5.683 1.00 0.00 C ATOM 139 O ASP A 9 -3.946 0.251 -4.659 1.00 0.00 O ATOM 140 CB ASP A 9 -5.906 -1.455 -6.612 1.00 0.00 C ATOM 141 CG ASP A 9 -5.142 -2.505 -5.787 1.00 0.00 C ATOM 142 OD1 ASP A 9 -5.695 -2.994 -4.772 1.00 0.00 O ATOM 143 OD2 ASP A 9 -4.005 -2.867 -6.170 1.00 0.00 O ATOM 0 H ASP A 9 -7.279 0.394 -7.471 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.397 -0.258 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.915 -1.816 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.416 -1.326 -7.577 1.00 0.00 H new ATOM 148 N LYS A 10 -4.110 1.370 -6.602 1.00 0.00 N ATOM 149 CA LYS A 10 -2.835 2.111 -6.474 1.00 0.00 C ATOM 150 C LYS A 10 -2.826 2.980 -5.205 1.00 0.00 C ATOM 151 O LYS A 10 -1.858 2.980 -4.447 1.00 0.00 O ATOM 152 CB LYS A 10 -2.590 2.999 -7.713 1.00 0.00 C ATOM 153 CG LYS A 10 -1.477 2.499 -8.654 1.00 0.00 C ATOM 154 CD LYS A 10 -2.000 1.690 -9.851 1.00 0.00 C ATOM 155 CE LYS A 10 -0.846 1.277 -10.782 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.533 2.313 -11.806 1.00 0.00 N ATOM 0 H LYS A 10 -4.609 1.576 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.034 1.376 -6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.519 3.074 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.339 4.005 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.913 3.356 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.782 1.882 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.521 0.801 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.726 2.283 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.045 1.082 -10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.105 0.344 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.251 1.983 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.372 2.483 -12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.258 3.197 -11.333 1.00 0.00 H new ATOM 170 N TRP A 11 -3.907 3.721 -4.960 1.00 0.00 N ATOM 171 CA TRP A 11 -4.094 4.525 -3.742 1.00 0.00 C ATOM 172 C TRP A 11 -4.222 3.648 -2.484 1.00 0.00 C ATOM 173 O TRP A 11 -3.693 4.003 -1.428 1.00 0.00 O ATOM 174 CB TRP A 11 -5.317 5.436 -3.896 1.00 0.00 C ATOM 175 CG TRP A 11 -5.118 6.622 -4.788 1.00 0.00 C ATOM 176 CD1 TRP A 11 -5.146 6.615 -6.143 1.00 0.00 C ATOM 177 CD2 TRP A 11 -4.856 8.006 -4.397 1.00 0.00 C ATOM 178 NE1 TRP A 11 -4.911 7.896 -6.613 1.00 0.00 N ATOM 179 CE2 TRP A 11 -4.730 8.793 -5.582 1.00 0.00 C ATOM 180 CE3 TRP A 11 -4.717 8.677 -3.161 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -4.480 10.173 -5.542 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -4.470 10.063 -3.111 1.00 0.00 C ATOM 183 CH2 TRP A 11 -4.350 10.811 -4.295 1.00 0.00 C ATOM 0 H TRP A 11 -4.691 3.784 -5.609 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.204 5.141 -3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -6.145 4.844 -4.285 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.614 5.789 -2.909 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.324 5.746 -6.760 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.876 8.146 -7.601 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.801 8.119 -2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.388 10.739 -6.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.372 10.555 -2.155 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.158 11.873 -4.247 1.00 0.00 H new ATOM 194 N ALA A 12 -4.879 2.486 -2.586 1.00 0.00 N ATOM 195 CA ALA A 12 -4.970 1.525 -1.485 1.00 0.00 C ATOM 196 C ALA A 12 -3.599 0.921 -1.107 1.00 0.00 C ATOM 197 O ALA A 12 -3.332 0.693 0.077 1.00 0.00 O ATOM 198 CB ALA A 12 -5.989 0.440 -1.851 1.00 0.00 C ATOM 0 H ALA A 12 -5.361 2.188 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.310 2.053 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.063 -0.280 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.964 0.898 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.666 -0.071 -2.758 1.00 0.00 H new ATOM 204 N SER A 13 -2.704 0.699 -2.081 1.00 0.00 N ATOM 205 CA SER A 13 -1.347 0.187 -1.833 1.00 0.00 C ATOM 206 C SER A 13 -0.512 1.146 -0.974 1.00 0.00 C ATOM 207 O SER A 13 0.133 0.698 -0.028 1.00 0.00 O ATOM 208 CB SER A 13 -0.628 -0.208 -3.134 1.00 0.00 C ATOM 209 OG SER A 13 0.099 0.860 -3.720 1.00 0.00 O ATOM 0 H SER A 13 -2.901 0.870 -3.067 1.00 0.00 H new ATOM 0 HA SER A 13 -1.461 -0.728 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.054 -1.033 -2.928 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.363 -0.574 -3.851 1.00 0.00 H new ATOM 0 HG SER A 13 -0.520 1.577 -3.973 1.00 0.00 H new ATOM 215 N LEU A 14 -0.588 2.462 -1.221 1.00 0.00 N ATOM 216 CA LEU A 14 0.062 3.519 -0.428 1.00 0.00 C ATOM 217 C LEU A 14 -0.338 3.482 1.058 1.00 0.00 C ATOM 218 O LEU A 14 0.527 3.613 1.928 1.00 0.00 O ATOM 219 CB LEU A 14 -0.269 4.894 -1.048 1.00 0.00 C ATOM 220 CG LEU A 14 0.795 5.377 -2.054 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.144 5.990 -3.295 1.00 0.00 C ATOM 222 CD2 LEU A 14 1.700 6.434 -1.413 1.00 0.00 C ATOM 0 H LEU A 14 -1.122 2.834 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 14 1.138 3.344 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.235 4.836 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.367 5.631 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 14 1.383 4.506 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.919 6.322 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.483 5.244 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.469 6.842 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.445 6.763 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.098 7.286 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.202 6.005 -0.546 1.00 0.00 H new ATOM 234 N TRP A 15 -1.626 3.269 1.355 1.00 0.00 N ATOM 235 CA TRP A 15 -2.141 3.152 2.726 1.00 0.00 C ATOM 236 C TRP A 15 -1.451 2.016 3.502 1.00 0.00 C ATOM 237 O TRP A 15 -1.005 2.207 4.636 1.00 0.00 O ATOM 238 CB TRP A 15 -3.666 2.976 2.692 1.00 0.00 C ATOM 239 CG TRP A 15 -4.348 3.185 4.010 1.00 0.00 C ATOM 240 CD1 TRP A 15 -4.589 2.229 4.936 1.00 0.00 C ATOM 241 CD2 TRP A 15 -4.870 4.431 4.569 1.00 0.00 C ATOM 242 NE1 TRP A 15 -5.217 2.797 6.030 1.00 0.00 N ATOM 243 CE2 TRP A 15 -5.412 4.151 5.860 1.00 0.00 C ATOM 244 CE3 TRP A 15 -4.939 5.769 4.120 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -5.986 5.148 6.666 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -5.516 6.776 4.919 1.00 0.00 C ATOM 247 CH2 TRP A 15 -6.037 6.469 6.189 1.00 0.00 C ATOM 0 H TRP A 15 -2.349 3.172 0.642 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.910 4.072 3.263 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.083 3.675 1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.895 1.972 2.335 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.331 1.185 4.837 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.501 2.278 6.861 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.543 6.024 3.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.383 4.903 7.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.559 7.791 4.554 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.475 7.247 6.796 1.00 0.00 H new ATOM 258 N ASN A 16 -1.321 0.839 2.877 1.00 0.00 N ATOM 259 CA ASN A 16 -0.598 -0.310 3.431 1.00 0.00 C ATOM 260 C ASN A 16 0.924 -0.059 3.485 1.00 0.00 C ATOM 261 O ASN A 16 1.565 -0.360 4.492 1.00 0.00 O ATOM 262 CB ASN A 16 -0.944 -1.552 2.592 1.00 0.00 C ATOM 263 CG ASN A 16 -0.153 -2.773 3.033 1.00 0.00 C ATOM 264 OD1 ASN A 16 -0.380 -3.344 4.090 1.00 0.00 O ATOM 265 ND2 ASN A 16 0.803 -3.211 2.244 1.00 0.00 N ATOM 0 H ASN A 16 -1.722 0.657 1.957 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.909 -0.471 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.011 -1.761 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.741 -1.348 1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.354 -4.026 2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.994 -2.736 1.362 1.00 0.00 H new ATOM 272 N TRP A 17 1.508 0.509 2.426 1.00 0.00 N ATOM 273 CA TRP A 17 2.948 0.774 2.304 1.00 0.00 C ATOM 274 C TRP A 17 3.483 1.674 3.427 1.00 0.00 C ATOM 275 O TRP A 17 4.587 1.442 3.915 1.00 0.00 O ATOM 276 CB TRP A 17 3.261 1.356 0.920 1.00 0.00 C ATOM 277 CG TRP A 17 4.709 1.323 0.541 1.00 0.00 C ATOM 278 CD1 TRP A 17 5.389 0.208 0.188 1.00 0.00 C ATOM 279 CD2 TRP A 17 5.669 2.424 0.461 1.00 0.00 C ATOM 280 NE1 TRP A 17 6.700 0.536 -0.103 1.00 0.00 N ATOM 281 CE2 TRP A 17 6.926 1.889 0.044 1.00 0.00 C ATOM 282 CE3 TRP A 17 5.610 3.817 0.688 1.00 0.00 C ATOM 283 CZ2 TRP A 17 8.064 2.690 -0.140 1.00 0.00 C ATOM 284 CZ3 TRP A 17 6.745 4.633 0.504 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.969 4.073 0.091 1.00 0.00 C ATOM 0 H TRP A 17 0.979 0.806 1.606 1.00 0.00 H new ATOM 0 HA TRP A 17 3.467 -0.179 2.411 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.691 0.805 0.172 1.00 0.00 H new ATOM 0 HB3 TRP A 17 2.914 2.389 0.888 1.00 0.00 H new ATOM 0 HD1 TRP A 17 4.971 -0.787 0.141 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.410 -0.137 -0.390 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.680 4.264 1.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.999 2.250 -0.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 6.675 5.696 0.681 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.833 4.705 -0.048 1.00 0.00 H new ATOM 296 N PHE A 18 2.688 2.646 3.893 1.00 0.00 N ATOM 297 CA PHE A 18 3.033 3.507 5.033 1.00 0.00 C ATOM 298 C PHE A 18 3.262 2.692 6.325 1.00 0.00 C ATOM 299 O PHE A 18 4.092 3.049 7.164 1.00 0.00 O ATOM 300 CB PHE A 18 1.918 4.542 5.239 1.00 0.00 C ATOM 301 CG PHE A 18 2.184 5.494 6.391 1.00 0.00 C ATOM 302 CD1 PHE A 18 3.107 6.545 6.234 1.00 0.00 C ATOM 303 CD2 PHE A 18 1.550 5.302 7.636 1.00 0.00 C ATOM 304 CE1 PHE A 18 3.399 7.398 7.313 1.00 0.00 C ATOM 305 CE2 PHE A 18 1.844 6.155 8.716 1.00 0.00 C ATOM 306 CZ PHE A 18 2.769 7.201 8.555 1.00 0.00 C ATOM 0 H PHE A 18 1.778 2.859 3.485 1.00 0.00 H new ATOM 0 HA PHE A 18 3.971 4.014 4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.794 5.119 4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.977 4.021 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.593 6.697 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.838 4.499 7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.107 8.204 7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.359 6.006 9.669 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.996 7.854 9.385 1.00 0.00 H new ATOM 316 N ASN A 19 2.535 1.580 6.490 1.00 0.00 N ATOM 317 CA ASN A 19 2.719 0.657 7.607 1.00 0.00 C ATOM 318 C ASN A 19 4.041 -0.117 7.430 1.00 0.00 C ATOM 319 O ASN A 19 4.848 -0.177 8.355 1.00 0.00 O ATOM 320 CB ASN A 19 1.490 -0.267 7.710 1.00 0.00 C ATOM 321 CG ASN A 19 1.260 -0.754 9.132 1.00 0.00 C ATOM 322 OD1 ASN A 19 2.118 -1.351 9.766 1.00 0.00 O ATOM 323 ND2 ASN A 19 0.091 -0.515 9.686 1.00 0.00 N ATOM 0 H ASN A 19 1.798 1.297 5.845 1.00 0.00 H new ATOM 0 HA ASN A 19 2.796 1.201 8.548 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.605 0.266 7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.625 -1.124 7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.095 -0.827 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.629 -0.017 9.163 1.00 0.00 H new ATOM 330 N ILE A 20 4.301 -0.643 6.223 1.00 0.00 N ATOM 331 CA ILE A 20 5.538 -1.360 5.859 1.00 0.00 C ATOM 332 C ILE A 20 6.801 -0.513 6.083 1.00 0.00 C ATOM 333 O ILE A 20 7.731 -0.986 6.736 1.00 0.00 O ATOM 334 CB ILE A 20 5.471 -1.911 4.414 1.00 0.00 C ATOM 335 CG1 ILE A 20 4.249 -2.829 4.170 1.00 0.00 C ATOM 336 CG2 ILE A 20 6.762 -2.664 4.039 1.00 0.00 C ATOM 337 CD1 ILE A 20 4.089 -4.007 5.143 1.00 0.00 C ATOM 0 H ILE A 20 3.639 -0.581 5.450 1.00 0.00 H new ATOM 0 HA ILE A 20 5.613 -2.211 6.535 1.00 0.00 H new ATOM 0 HB ILE A 20 5.361 -1.037 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.346 -2.220 4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.314 -3.226 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.682 -3.038 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.613 -1.986 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.906 -3.501 4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.201 -4.581 4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.967 -4.650 5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.985 -3.628 6.160 1.00 0.00 H new ATOM 349 N THR A 21 6.856 0.734 5.596 1.00 0.00 N ATOM 350 CA THR A 21 8.022 1.627 5.783 1.00 0.00 C ATOM 351 C THR A 21 8.357 1.862 7.259 1.00 0.00 C ATOM 352 O THR A 21 9.535 1.897 7.622 1.00 0.00 O ATOM 353 CB THR A 21 7.852 2.986 5.087 1.00 0.00 C ATOM 354 OG1 THR A 21 6.623 3.585 5.430 1.00 0.00 O ATOM 355 CG2 THR A 21 7.913 2.863 3.566 1.00 0.00 C ATOM 0 H THR A 21 6.098 1.158 5.061 1.00 0.00 H new ATOM 0 HA THR A 21 8.851 1.097 5.314 1.00 0.00 H new ATOM 0 HB THR A 21 8.680 3.606 5.431 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.542 4.449 4.974 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.788 3.848 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.878 2.450 3.273 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.116 2.203 3.222 1.00 0.00 H new ATOM 363 N ASN A 22 7.347 1.986 8.128 1.00 0.00 N ATOM 364 CA ASN A 22 7.543 2.106 9.573 1.00 0.00 C ATOM 365 C ASN A 22 7.922 0.753 10.215 1.00 0.00 C ATOM 366 O ASN A 22 8.787 0.704 11.088 1.00 0.00 O ATOM 367 CB ASN A 22 6.274 2.702 10.202 1.00 0.00 C ATOM 368 CG ASN A 22 6.469 2.970 11.686 1.00 0.00 C ATOM 369 OD1 ASN A 22 7.184 3.878 12.088 1.00 0.00 O ATOM 370 ND2 ASN A 22 5.851 2.197 12.550 1.00 0.00 N ATOM 0 H ASN A 22 6.367 2.006 7.845 1.00 0.00 H new ATOM 0 HA ASN A 22 8.382 2.775 9.764 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.014 3.630 9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.438 2.017 10.060 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.968 2.355 13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.254 1.439 12.220 1.00 0.00 H new ATOM 377 N TRP A 23 7.309 -0.352 9.778 1.00 0.00 N ATOM 378 CA TRP A 23 7.581 -1.710 10.269 1.00 0.00 C ATOM 379 C TRP A 23 8.999 -2.203 9.944 1.00 0.00 C ATOM 380 O TRP A 23 9.576 -2.950 10.735 1.00 0.00 O ATOM 381 CB TRP A 23 6.528 -2.676 9.714 1.00 0.00 C ATOM 382 CG TRP A 23 6.540 -4.064 10.285 1.00 0.00 C ATOM 383 CD1 TRP A 23 6.573 -4.370 11.603 1.00 0.00 C ATOM 384 CD2 TRP A 23 6.494 -5.345 9.579 1.00 0.00 C ATOM 385 NE1 TRP A 23 6.553 -5.743 11.762 1.00 0.00 N ATOM 386 CE2 TRP A 23 6.489 -6.393 10.547 1.00 0.00 C ATOM 387 CE3 TRP A 23 6.441 -5.730 8.220 1.00 0.00 C ATOM 388 CZ2 TRP A 23 6.429 -7.748 10.192 1.00 0.00 C ATOM 389 CZ3 TRP A 23 6.386 -7.089 7.851 1.00 0.00 C ATOM 390 CH2 TRP A 23 6.377 -8.097 8.832 1.00 0.00 C ATOM 0 H TRP A 23 6.591 -0.328 9.054 1.00 0.00 H new ATOM 0 HA TRP A 23 7.520 -1.678 11.357 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.542 -2.243 9.884 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.663 -2.748 8.635 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.609 -3.651 12.408 1.00 0.00 H new ATOM 0 HE1 TRP A 23 6.582 -6.216 12.665 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.443 -4.971 7.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.423 -8.513 10.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.350 -7.359 6.806 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.330 -9.136 8.541 1.00 0.00 H new ATOM 401 N LEU A 24 9.601 -1.737 8.840 1.00 0.00 N ATOM 402 CA LEU A 24 10.989 -2.036 8.456 1.00 0.00 C ATOM 403 C LEU A 24 11.985 -1.809 9.611 1.00 0.00 C ATOM 404 O LEU A 24 12.891 -2.619 9.796 1.00 0.00 O ATOM 405 CB LEU A 24 11.410 -1.203 7.220 1.00 0.00 C ATOM 406 CG LEU A 24 11.651 -2.039 5.945 1.00 0.00 C ATOM 407 CD1 LEU A 24 10.374 -2.179 5.117 1.00 0.00 C ATOM 408 CD2 LEU A 24 12.716 -1.384 5.063 1.00 0.00 C ATOM 0 H LEU A 24 9.126 -1.128 8.174 1.00 0.00 H new ATOM 0 HA LEU A 24 11.020 -3.096 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.637 -0.463 7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.321 -0.655 7.459 1.00 0.00 H new ATOM 0 HG LEU A 24 11.983 -3.024 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.581 -2.773 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.606 -2.673 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.023 -1.191 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.871 -1.989 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.385 -0.387 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.652 -1.309 5.617 1.00 0.00 H new ATOM 420 N TRP A 25 11.792 -0.756 10.417 1.00 0.00 N ATOM 421 CA TRP A 25 12.591 -0.459 11.617 1.00 0.00 C ATOM 422 C TRP A 25 12.549 -1.565 12.685 1.00 0.00 C ATOM 423 O TRP A 25 13.553 -1.811 13.355 1.00 0.00 O ATOM 424 CB TRP A 25 12.129 0.869 12.236 1.00 0.00 C ATOM 425 CG TRP A 25 12.929 2.072 11.851 1.00 0.00 C ATOM 426 CD1 TRP A 25 12.700 2.882 10.792 1.00 0.00 C ATOM 427 CD2 TRP A 25 14.090 2.620 12.542 1.00 0.00 C ATOM 428 NE1 TRP A 25 13.640 3.899 10.785 1.00 0.00 N ATOM 429 CE2 TRP A 25 14.516 3.790 11.847 1.00 0.00 C ATOM 430 CE3 TRP A 25 14.820 2.250 13.694 1.00 0.00 C ATOM 431 CZ2 TRP A 25 15.609 4.560 12.276 1.00 0.00 C ATOM 432 CZ3 TRP A 25 15.919 3.014 14.133 1.00 0.00 C ATOM 433 CH2 TRP A 25 16.312 4.167 13.429 1.00 0.00 C ATOM 0 H TRP A 25 11.057 -0.069 10.249 1.00 0.00 H new ATOM 0 HA TRP A 25 13.626 -0.392 11.282 1.00 0.00 H new ATOM 0 HB2 TRP A 25 11.090 1.039 11.953 1.00 0.00 H new ATOM 0 HB3 TRP A 25 12.152 0.771 13.321 1.00 0.00 H new ATOM 0 HD1 TRP A 25 11.910 2.756 10.067 1.00 0.00 H new ATOM 0 HE1 TRP A 25 13.680 4.637 10.082 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.531 1.368 14.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 15.906 5.442 11.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 16.463 2.713 15.016 1.00 0.00 H new ATOM 0 HH2 TRP A 25 17.153 4.750 13.774 1.00 0.00 H new ATOM 444 N TYR A 26 11.405 -2.234 12.866 1.00 0.00 N ATOM 445 CA TYR A 26 11.271 -3.366 13.787 1.00 0.00 C ATOM 446 C TYR A 26 12.026 -4.609 13.282 1.00 0.00 C ATOM 447 O TYR A 26 12.664 -5.317 14.064 1.00 0.00 O ATOM 448 CB TYR A 26 9.781 -3.674 14.019 1.00 0.00 C ATOM 449 CG TYR A 26 9.474 -3.996 15.468 1.00 0.00 C ATOM 450 CD1 TYR A 26 9.907 -5.211 16.036 1.00 0.00 C ATOM 451 CD2 TYR A 26 8.809 -3.047 16.266 1.00 0.00 C ATOM 452 CE1 TYR A 26 9.691 -5.470 17.403 1.00 0.00 C ATOM 453 CE2 TYR A 26 8.578 -3.307 17.632 1.00 0.00 C ATOM 454 CZ TYR A 26 9.026 -4.516 18.206 1.00 0.00 C ATOM 455 OH TYR A 26 8.826 -4.750 19.534 1.00 0.00 O ATOM 0 H TYR A 26 10.542 -2.003 12.374 1.00 0.00 H new ATOM 0 HA TYR A 26 11.727 -3.089 14.738 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.183 -2.818 13.706 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.485 -4.516 13.393 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.406 -5.945 15.421 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.475 -2.117 15.831 1.00 0.00 H new ATOM 0 HE1 TYR A 26 10.033 -6.397 17.838 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.058 -2.581 18.239 1.00 0.00 H new ATOM 0 HH TYR A 26 8.354 -3.989 19.933 1.00 0.00 H new ATOM 465 N ILE A 27 11.968 -4.868 11.969 1.00 0.00 N ATOM 466 CA ILE A 27 12.634 -6.000 11.302 1.00 0.00 C ATOM 467 C ILE A 27 14.164 -5.818 11.248 1.00 0.00 C ATOM 468 O ILE A 27 14.906 -6.762 11.540 1.00 0.00 O ATOM 469 CB ILE A 27 12.049 -6.203 9.883 1.00 0.00 C ATOM 470 CG1 ILE A 27 10.508 -6.315 9.866 1.00 0.00 C ATOM 471 CG2 ILE A 27 12.648 -7.436 9.180 1.00 0.00 C ATOM 472 CD1 ILE A 27 9.906 -7.489 10.660 1.00 0.00 C ATOM 0 H ILE A 27 11.442 -4.281 11.321 1.00 0.00 H new ATOM 0 HA ILE A 27 12.442 -6.895 11.893 1.00 0.00 H new ATOM 0 HB ILE A 27 12.329 -5.302 9.337 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.092 -5.387 10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.181 -6.398 8.829 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.208 -7.539 8.188 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.727 -7.314 9.088 1.00 0.00 H new ATOM 0 HG23 ILE A 27 12.433 -8.329 9.766 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.819 -7.466 10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.281 -8.430 10.258 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.191 -7.403 11.709 1.00 0.00 H new ATOM 484 N LYS A 28 14.635 -4.616 10.883 1.00 0.00 N ATOM 485 CA LYS A 28 16.051 -4.245 10.676 1.00 0.00 C ATOM 486 C LYS A 28 16.471 -3.042 11.538 1.00 0.00 C ATOM 487 O LYS A 28 17.086 -3.279 12.604 1.00 0.00 O ATOM 488 CB LYS A 28 16.317 -4.002 9.171 1.00 0.00 C ATOM 489 CG LYS A 28 16.204 -5.266 8.300 1.00 0.00 C ATOM 490 CD LYS A 28 17.410 -6.215 8.418 1.00 0.00 C ATOM 491 CE LYS A 28 18.463 -5.896 7.347 1.00 0.00 C ATOM 492 NZ LYS A 28 19.643 -6.794 7.448 1.00 0.00 N ATOM 493 OXT LYS A 28 16.223 -1.879 11.144 1.00 0.00 O ATOM 0 H LYS A 28 14.007 -3.830 10.714 1.00 0.00 H new ATOM 0 HA LYS A 28 16.672 -5.078 11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.611 -3.257 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.315 -3.581 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.300 -5.807 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.089 -4.968 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.854 -6.124 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.078 -7.248 8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.016 -5.993 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.785 -4.860 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.331 -6.547 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.085 -6.683 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.340 -7.781 7.323 1.00 0.00 H new TER 507 LYS A 28