USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=3 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 X(o=0,f=-0.047) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc=-0.00429 K(o=-0.0043,f=-0.74) USER MOD Single : A 21 THR OG1 : rot 8:sc= 0.257 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 -9.463 -6.962 -13.066 1.00 0.00 N ATOM 2 CA ASN A 1 -10.861 -7.151 -13.535 1.00 0.00 C ATOM 3 C ASN A 1 -11.511 -5.811 -13.898 1.00 0.00 C ATOM 4 O ASN A 1 -11.452 -5.416 -15.060 1.00 0.00 O ATOM 5 CB ASN A 1 -11.707 -8.020 -12.570 1.00 0.00 C ATOM 6 CG ASN A 1 -11.731 -9.477 -13.031 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.696 -10.094 -13.247 1.00 0.00 O ATOM 8 ND2 ASN A 1 -12.897 -10.067 -13.223 1.00 0.00 N ATOM 0 H1 ASN A 1 -9.049 -7.886 -12.828 1.00 0.00 H new ATOM 0 H2 ASN A 1 -8.902 -6.515 -13.819 1.00 0.00 H new ATOM 0 H3 ASN A 1 -9.459 -6.353 -12.223 1.00 0.00 H new ATOM 0 HA ASN A 1 -10.822 -7.730 -14.457 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.295 -7.959 -11.563 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.725 -7.632 -12.522 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -12.932 -11.033 -13.550 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.762 -9.557 -13.044 1.00 0.00 H new ATOM 17 N GLU A 2 -12.131 -5.092 -12.952 1.00 0.00 N ATOM 18 CA GLU A 2 -12.782 -3.795 -13.217 1.00 0.00 C ATOM 19 C GLU A 2 -11.769 -2.657 -13.434 1.00 0.00 C ATOM 20 O GLU A 2 -11.139 -2.181 -12.486 1.00 0.00 O ATOM 21 CB GLU A 2 -13.758 -3.412 -12.087 1.00 0.00 C ATOM 22 CG GLU A 2 -15.188 -3.885 -12.377 1.00 0.00 C ATOM 23 CD GLU A 2 -16.190 -3.370 -11.323 1.00 0.00 C ATOM 24 OE1 GLU A 2 -16.318 -2.134 -11.145 1.00 0.00 O ATOM 25 OE2 GLU A 2 -16.882 -4.199 -10.682 1.00 0.00 O ATOM 0 H GLU A 2 -12.197 -5.391 -11.979 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.342 -3.926 -14.143 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.415 -3.848 -11.149 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.754 -2.330 -11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.491 -3.539 -13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.212 -4.975 -12.399 1.00 0.00 H new ATOM 32 N GLN A 3 -11.643 -2.183 -14.678 1.00 0.00 N ATOM 33 CA GLN A 3 -10.801 -1.031 -15.033 1.00 0.00 C ATOM 34 C GLN A 3 -11.201 0.263 -14.290 1.00 0.00 C ATOM 35 O GLN A 3 -10.352 1.113 -14.026 1.00 0.00 O ATOM 36 CB GLN A 3 -10.805 -0.820 -16.560 1.00 0.00 C ATOM 37 CG GLN A 3 -12.202 -0.597 -17.173 1.00 0.00 C ATOM 38 CD GLN A 3 -12.121 -0.152 -18.631 1.00 0.00 C ATOM 39 OE1 GLN A 3 -12.305 -0.926 -19.563 1.00 0.00 O ATOM 40 NE2 GLN A 3 -11.851 1.112 -18.890 1.00 0.00 N ATOM 0 H GLN A 3 -12.127 -2.592 -15.477 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.787 -1.263 -14.707 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.177 0.039 -16.797 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.349 -1.688 -17.035 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.779 -1.520 -17.107 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.737 0.155 -16.593 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.696 1.768 -18.124 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.798 1.434 -19.856 1.00 0.00 H new ATOM 49 N GLU A 4 -12.475 0.407 -13.908 1.00 0.00 N ATOM 50 CA GLU A 4 -12.978 1.535 -13.104 1.00 0.00 C ATOM 51 C GLU A 4 -12.527 1.478 -11.633 1.00 0.00 C ATOM 52 O GLU A 4 -12.355 2.524 -11.008 1.00 0.00 O ATOM 53 CB GLU A 4 -14.514 1.582 -13.159 1.00 0.00 C ATOM 54 CG GLU A 4 -15.026 2.077 -14.517 1.00 0.00 C ATOM 55 CD GLU A 4 -16.556 2.265 -14.493 1.00 0.00 C ATOM 56 OE1 GLU A 4 -17.300 1.281 -14.727 1.00 0.00 O ATOM 57 OE2 GLU A 4 -17.029 3.403 -14.250 1.00 0.00 O ATOM 0 H GLU A 4 -13.201 -0.267 -14.151 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.552 2.438 -13.541 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.914 0.588 -12.961 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.885 2.237 -12.371 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.544 3.021 -14.770 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.756 1.363 -15.295 1.00 0.00 H new ATOM 64 N LEU A 5 -12.310 0.279 -11.080 1.00 0.00 N ATOM 65 CA LEU A 5 -11.849 0.069 -9.699 1.00 0.00 C ATOM 66 C LEU A 5 -10.312 0.083 -9.572 1.00 0.00 C ATOM 67 O LEU A 5 -9.780 0.233 -8.470 1.00 0.00 O ATOM 68 CB LEU A 5 -12.474 -1.238 -9.159 1.00 0.00 C ATOM 69 CG LEU A 5 -13.042 -1.131 -7.731 1.00 0.00 C ATOM 70 CD1 LEU A 5 -14.242 -0.177 -7.654 1.00 0.00 C ATOM 71 CD2 LEU A 5 -13.533 -2.506 -7.271 1.00 0.00 C ATOM 0 H LEU A 5 -12.453 -0.593 -11.590 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.186 0.906 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.273 -1.549 -9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.718 -2.023 -9.178 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.238 -0.752 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.608 -0.134 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.935 0.820 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.036 -0.538 -8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.935 -2.430 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.313 -2.858 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.701 -3.211 -7.278 1.00 0.00 H new ATOM 83 N LEU A 6 -9.595 -0.005 -10.700 1.00 0.00 N ATOM 84 CA LEU A 6 -8.131 0.038 -10.798 1.00 0.00 C ATOM 85 C LEU A 6 -7.519 1.302 -10.161 1.00 0.00 C ATOM 86 O LEU A 6 -6.424 1.250 -9.602 1.00 0.00 O ATOM 87 CB LEU A 6 -7.741 -0.069 -12.287 1.00 0.00 C ATOM 88 CG LEU A 6 -6.274 -0.479 -12.518 1.00 0.00 C ATOM 89 CD1 LEU A 6 -6.095 -1.990 -12.371 1.00 0.00 C ATOM 90 CD2 LEU A 6 -5.826 -0.080 -13.925 1.00 0.00 C ATOM 0 H LEU A 6 -10.041 -0.113 -11.611 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.726 -0.802 -10.233 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.392 -0.796 -12.772 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.920 0.892 -12.770 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.671 0.034 -11.769 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.050 -2.251 -12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.388 -2.295 -11.366 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.719 -2.503 -13.102 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.788 -0.376 -14.074 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.455 -0.579 -14.662 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.916 1.000 -14.043 1.00 0.00 H new ATOM 102 N GLU A 7 -8.240 2.427 -10.197 1.00 0.00 N ATOM 103 CA GLU A 7 -7.844 3.696 -9.568 1.00 0.00 C ATOM 104 C GLU A 7 -7.588 3.569 -8.054 1.00 0.00 C ATOM 105 O GLU A 7 -6.679 4.212 -7.524 1.00 0.00 O ATOM 106 CB GLU A 7 -8.886 4.788 -9.887 1.00 0.00 C ATOM 107 CG GLU A 7 -10.249 4.592 -9.195 1.00 0.00 C ATOM 108 CD GLU A 7 -11.326 5.613 -9.633 1.00 0.00 C ATOM 109 OE1 GLU A 7 -11.189 6.278 -10.690 1.00 0.00 O ATOM 110 OE2 GLU A 7 -12.330 5.774 -8.895 1.00 0.00 O ATOM 0 H GLU A 7 -9.139 2.484 -10.676 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.885 3.988 -9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.480 5.756 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.041 4.820 -10.965 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.610 3.585 -9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.112 4.664 -8.116 1.00 0.00 H new ATOM 117 N LEU A 8 -8.362 2.720 -7.363 1.00 0.00 N ATOM 118 CA LEU A 8 -8.196 2.394 -5.942 1.00 0.00 C ATOM 119 C LEU A 8 -7.332 1.140 -5.717 1.00 0.00 C ATOM 120 O LEU A 8 -6.711 1.001 -4.665 1.00 0.00 O ATOM 121 CB LEU A 8 -9.585 2.278 -5.270 1.00 0.00 C ATOM 122 CG LEU A 8 -9.849 3.285 -4.130 1.00 0.00 C ATOM 123 CD1 LEU A 8 -8.815 3.199 -3.005 1.00 0.00 C ATOM 124 CD2 LEU A 8 -9.917 4.728 -4.639 1.00 0.00 C ATOM 0 H LEU A 8 -9.145 2.227 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.648 3.208 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.352 2.408 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.697 1.268 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.820 3.002 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.055 3.931 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.830 2.198 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.823 3.406 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.104 5.401 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.971 4.992 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.724 4.820 -5.366 1.00 0.00 H new ATOM 136 N ASP A 9 -7.230 0.245 -6.705 1.00 0.00 N ATOM 137 CA ASP A 9 -6.353 -0.936 -6.647 1.00 0.00 C ATOM 138 C ASP A 9 -4.864 -0.544 -6.524 1.00 0.00 C ATOM 139 O ASP A 9 -4.090 -1.227 -5.853 1.00 0.00 O ATOM 140 CB ASP A 9 -6.590 -1.819 -7.879 1.00 0.00 C ATOM 141 CG ASP A 9 -5.934 -3.205 -7.739 1.00 0.00 C ATOM 142 OD1 ASP A 9 -6.263 -3.937 -6.775 1.00 0.00 O ATOM 143 OD2 ASP A 9 -5.118 -3.579 -8.614 1.00 0.00 O ATOM 0 H ASP A 9 -7.757 0.318 -7.576 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.604 -1.501 -5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.662 -1.941 -8.035 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.194 -1.319 -8.763 1.00 0.00 H new ATOM 148 N LYS A 10 -4.468 0.595 -7.109 1.00 0.00 N ATOM 149 CA LYS A 10 -3.115 1.174 -7.007 1.00 0.00 C ATOM 150 C LYS A 10 -2.732 1.502 -5.557 1.00 0.00 C ATOM 151 O LYS A 10 -1.597 1.265 -5.141 1.00 0.00 O ATOM 152 CB LYS A 10 -3.066 2.440 -7.875 1.00 0.00 C ATOM 153 CG LYS A 10 -3.023 2.086 -9.373 1.00 0.00 C ATOM 154 CD LYS A 10 -3.598 3.218 -10.231 1.00 0.00 C ATOM 155 CE LYS A 10 -3.579 2.868 -11.726 1.00 0.00 C ATOM 156 NZ LYS A 10 -2.215 2.972 -12.315 1.00 0.00 N ATOM 0 H LYS A 10 -5.096 1.157 -7.683 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.391 0.439 -7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.939 3.059 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.188 3.030 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.994 1.887 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.588 1.171 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.622 3.426 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.023 4.129 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.955 1.854 -11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.255 3.535 -12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.253 2.726 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.864 3.945 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.574 2.317 -11.824 1.00 0.00 H new ATOM 170 N TRP A 11 -3.688 1.995 -4.768 1.00 0.00 N ATOM 171 CA TRP A 11 -3.519 2.264 -3.333 1.00 0.00 C ATOM 172 C TRP A 11 -3.230 1.003 -2.500 1.00 0.00 C ATOM 173 O TRP A 11 -2.559 1.112 -1.477 1.00 0.00 O ATOM 174 CB TRP A 11 -4.734 3.031 -2.781 1.00 0.00 C ATOM 175 CG TRP A 11 -4.492 4.484 -2.505 1.00 0.00 C ATOM 176 CD1 TRP A 11 -4.473 5.052 -1.276 1.00 0.00 C ATOM 177 CD2 TRP A 11 -4.231 5.567 -3.452 1.00 0.00 C ATOM 178 NE1 TRP A 11 -4.220 6.406 -1.396 1.00 0.00 N ATOM 179 CE2 TRP A 11 -4.058 6.777 -2.714 1.00 0.00 C ATOM 180 CE3 TRP A 11 -4.122 5.654 -4.858 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -3.788 8.006 -3.334 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -3.847 6.884 -5.492 1.00 0.00 C ATOM 183 CH2 TRP A 11 -3.681 8.057 -4.734 1.00 0.00 C ATOM 0 H TRP A 11 -4.621 2.224 -5.112 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.631 2.889 -3.238 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.555 2.943 -3.493 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.060 2.550 -1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.631 4.528 -0.345 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.161 7.050 -0.607 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.251 4.765 -5.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.664 8.901 -2.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.763 6.925 -6.568 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.472 8.995 -5.227 1.00 0.00 H new ATOM 194 N ALA A 12 -3.652 -0.193 -2.930 1.00 0.00 N ATOM 195 CA ALA A 12 -3.337 -1.452 -2.237 1.00 0.00 C ATOM 196 C ALA A 12 -1.822 -1.752 -2.208 1.00 0.00 C ATOM 197 O ALA A 12 -1.300 -2.241 -1.203 1.00 0.00 O ATOM 198 CB ALA A 12 -4.129 -2.598 -2.880 1.00 0.00 C ATOM 0 H ALA A 12 -4.221 -0.317 -3.767 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.637 -1.350 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.897 -3.532 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.197 -2.394 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.856 -2.683 -3.932 1.00 0.00 H new ATOM 204 N SER A 13 -1.101 -1.424 -3.290 1.00 0.00 N ATOM 205 CA SER A 13 0.365 -1.546 -3.380 1.00 0.00 C ATOM 206 C SER A 13 1.046 -0.615 -2.364 1.00 0.00 C ATOM 207 O SER A 13 1.885 -1.049 -1.568 1.00 0.00 O ATOM 208 CB SER A 13 0.817 -1.244 -4.818 1.00 0.00 C ATOM 209 OG SER A 13 2.231 -1.185 -4.934 1.00 0.00 O ATOM 0 H SER A 13 -1.526 -1.060 -4.143 1.00 0.00 H new ATOM 0 HA SER A 13 0.662 -2.566 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.431 -2.013 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.388 -0.295 -5.140 1.00 0.00 H new ATOM 0 HG SER A 13 2.475 -0.993 -5.863 1.00 0.00 H new ATOM 215 N LEU A 14 0.633 0.658 -2.340 1.00 0.00 N ATOM 216 CA LEU A 14 1.087 1.664 -1.372 1.00 0.00 C ATOM 217 C LEU A 14 0.780 1.259 0.078 1.00 0.00 C ATOM 218 O LEU A 14 1.629 1.447 0.946 1.00 0.00 O ATOM 219 CB LEU A 14 0.450 3.022 -1.722 1.00 0.00 C ATOM 220 CG LEU A 14 1.237 3.764 -2.819 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.316 4.674 -3.632 1.00 0.00 C ATOM 222 CD2 LEU A 14 2.347 4.619 -2.200 1.00 0.00 C ATOM 0 H LEU A 14 -0.043 1.026 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 14 2.172 1.743 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.576 2.866 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.404 3.642 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 14 1.673 3.010 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.896 5.186 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.463 4.075 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.143 5.410 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.892 5.135 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.907 5.352 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.033 3.979 -1.645 1.00 0.00 H new ATOM 234 N TRP A 15 -0.387 0.664 0.347 1.00 0.00 N ATOM 235 CA TRP A 15 -0.798 0.190 1.676 1.00 0.00 C ATOM 236 C TRP A 15 0.186 -0.826 2.273 1.00 0.00 C ATOM 237 O TRP A 15 0.559 -0.727 3.445 1.00 0.00 O ATOM 238 CB TRP A 15 -2.209 -0.411 1.601 1.00 0.00 C ATOM 239 CG TRP A 15 -2.936 -0.442 2.907 1.00 0.00 C ATOM 240 CD1 TRP A 15 -2.895 -1.435 3.825 1.00 0.00 C ATOM 241 CD2 TRP A 15 -3.815 0.583 3.458 1.00 0.00 C ATOM 242 NE1 TRP A 15 -3.688 -1.091 4.906 1.00 0.00 N ATOM 243 CE2 TRP A 15 -4.278 0.143 4.733 1.00 0.00 C ATOM 244 CE3 TRP A 15 -4.261 1.845 3.005 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -5.145 0.917 5.520 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -5.134 2.627 3.785 1.00 0.00 C ATOM 247 CH2 TRP A 15 -5.576 2.167 5.040 1.00 0.00 C ATOM 0 H TRP A 15 -1.091 0.494 -0.371 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.800 1.053 2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.798 0.162 0.885 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.138 -1.428 1.214 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.332 -2.352 3.729 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.820 -1.678 5.729 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.927 2.215 2.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.477 0.557 6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.467 3.587 3.418 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.245 2.773 5.633 1.00 0.00 H new ATOM 258 N ASN A 16 0.641 -1.788 1.462 1.00 0.00 N ATOM 259 CA ASN A 16 1.641 -2.777 1.866 1.00 0.00 C ATOM 260 C ASN A 16 2.982 -2.108 2.228 1.00 0.00 C ATOM 261 O ASN A 16 3.499 -2.323 3.325 1.00 0.00 O ATOM 262 CB ASN A 16 1.785 -3.833 0.758 1.00 0.00 C ATOM 263 CG ASN A 16 2.572 -5.038 1.243 1.00 0.00 C ATOM 264 OD1 ASN A 16 3.759 -5.182 0.991 1.00 0.00 O ATOM 265 ND2 ASN A 16 1.937 -5.937 1.963 1.00 0.00 N ATOM 0 H ASN A 16 0.322 -1.901 0.500 1.00 0.00 H new ATOM 0 HA ASN A 16 1.307 -3.281 2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.797 -4.151 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.285 -3.392 -0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.435 -6.756 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.946 -5.815 2.173 1.00 0.00 H new ATOM 272 N TRP A 17 3.519 -1.258 1.343 1.00 0.00 N ATOM 273 CA TRP A 17 4.763 -0.515 1.592 1.00 0.00 C ATOM 274 C TRP A 17 4.675 0.407 2.819 1.00 0.00 C ATOM 275 O TRP A 17 5.611 0.449 3.615 1.00 0.00 O ATOM 276 CB TRP A 17 5.170 0.276 0.345 1.00 0.00 C ATOM 277 CG TRP A 17 6.513 0.941 0.446 1.00 0.00 C ATOM 278 CD1 TRP A 17 7.702 0.293 0.441 1.00 0.00 C ATOM 279 CD2 TRP A 17 6.831 2.362 0.593 1.00 0.00 C ATOM 280 NE1 TRP A 17 8.730 1.210 0.562 1.00 0.00 N ATOM 281 CE2 TRP A 17 8.252 2.500 0.648 1.00 0.00 C ATOM 282 CE3 TRP A 17 6.070 3.549 0.684 1.00 0.00 C ATOM 283 CZ2 TRP A 17 8.886 3.747 0.772 1.00 0.00 C ATOM 284 CZ3 TRP A 17 6.696 4.806 0.814 1.00 0.00 C ATOM 285 CH2 TRP A 17 8.099 4.907 0.855 1.00 0.00 C ATOM 0 H TRP A 17 3.103 -1.065 0.432 1.00 0.00 H new ATOM 0 HA TRP A 17 5.533 -1.253 1.816 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.174 -0.397 -0.512 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.415 1.037 0.149 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.828 -0.776 0.356 1.00 0.00 H new ATOM 0 HE1 TRP A 17 9.719 0.962 0.585 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.992 3.493 0.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.964 3.813 0.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 6.093 5.699 0.883 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.569 5.875 0.950 1.00 0.00 H new ATOM 296 N PHE A 18 3.541 1.089 3.019 1.00 0.00 N ATOM 297 CA PHE A 18 3.272 1.939 4.183 1.00 0.00 C ATOM 298 C PHE A 18 3.401 1.173 5.509 1.00 0.00 C ATOM 299 O PHE A 18 3.987 1.678 6.470 1.00 0.00 O ATOM 300 CB PHE A 18 1.876 2.569 4.046 1.00 0.00 C ATOM 301 CG PHE A 18 1.565 3.613 5.102 1.00 0.00 C ATOM 302 CD1 PHE A 18 2.107 4.906 4.983 1.00 0.00 C ATOM 303 CD2 PHE A 18 0.740 3.299 6.201 1.00 0.00 C ATOM 304 CE1 PHE A 18 1.826 5.884 5.954 1.00 0.00 C ATOM 305 CE2 PHE A 18 0.460 4.277 7.173 1.00 0.00 C ATOM 306 CZ PHE A 18 1.001 5.569 7.049 1.00 0.00 C ATOM 0 H PHE A 18 2.765 1.064 2.358 1.00 0.00 H new ATOM 0 HA PHE A 18 4.026 2.726 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.790 3.027 3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.126 1.780 4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.741 5.148 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.323 2.307 6.297 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.243 6.876 5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.171 4.035 8.015 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.783 6.319 7.794 1.00 0.00 H new ATOM 316 N ASN A 19 2.897 -0.066 5.564 1.00 0.00 N ATOM 317 CA ASN A 19 3.057 -0.927 6.736 1.00 0.00 C ATOM 318 C ASN A 19 4.540 -1.268 6.982 1.00 0.00 C ATOM 319 O ASN A 19 5.008 -1.165 8.114 1.00 0.00 O ATOM 320 CB ASN A 19 2.172 -2.178 6.583 1.00 0.00 C ATOM 321 CG ASN A 19 1.995 -2.933 7.895 1.00 0.00 C ATOM 322 OD1 ASN A 19 1.910 -2.363 8.974 1.00 0.00 O ATOM 323 ND2 ASN A 19 1.897 -4.243 7.854 1.00 0.00 N ATOM 0 H ASN A 19 2.371 -0.495 4.802 1.00 0.00 H new ATOM 0 HA ASN A 19 2.723 -0.393 7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.194 -1.883 6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.614 -2.843 5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.752 -4.771 8.715 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.966 -4.732 6.961 1.00 0.00 H new ATOM 330 N ILE A 20 5.304 -1.607 5.933 1.00 0.00 N ATOM 331 CA ILE A 20 6.755 -1.864 6.020 1.00 0.00 C ATOM 332 C ILE A 20 7.545 -0.630 6.490 1.00 0.00 C ATOM 333 O ILE A 20 8.366 -0.759 7.400 1.00 0.00 O ATOM 334 CB ILE A 20 7.315 -2.436 4.695 1.00 0.00 C ATOM 335 CG1 ILE A 20 6.628 -3.756 4.272 1.00 0.00 C ATOM 336 CG2 ILE A 20 8.838 -2.658 4.772 1.00 0.00 C ATOM 337 CD1 ILE A 20 6.614 -4.879 5.321 1.00 0.00 C ATOM 0 H ILE A 20 4.931 -1.712 4.989 1.00 0.00 H new ATOM 0 HA ILE A 20 6.891 -2.627 6.787 1.00 0.00 H new ATOM 0 HB ILE A 20 7.096 -1.684 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.598 -3.533 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.125 -4.129 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.195 -3.060 3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.334 -1.709 4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.063 -3.362 5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.107 -5.753 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.638 -5.144 5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.087 -4.538 6.212 1.00 0.00 H new ATOM 349 N THR A 21 7.308 0.566 5.937 1.00 0.00 N ATOM 350 CA THR A 21 8.000 1.798 6.375 1.00 0.00 C ATOM 351 C THR A 21 7.724 2.136 7.840 1.00 0.00 C ATOM 352 O THR A 21 8.642 2.545 8.553 1.00 0.00 O ATOM 353 CB THR A 21 7.686 3.025 5.502 1.00 0.00 C ATOM 354 OG1 THR A 21 6.302 3.223 5.311 1.00 0.00 O ATOM 355 CG2 THR A 21 8.316 2.902 4.118 1.00 0.00 C ATOM 0 H THR A 21 6.640 0.713 5.181 1.00 0.00 H new ATOM 0 HA THR A 21 9.059 1.567 6.257 1.00 0.00 H new ATOM 0 HB THR A 21 8.103 3.872 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.801 2.606 5.885 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.074 3.786 3.528 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.398 2.817 4.217 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.927 2.015 3.619 1.00 0.00 H new ATOM 363 N ASN A 22 6.488 1.943 8.319 1.00 0.00 N ATOM 364 CA ASN A 22 6.160 2.138 9.734 1.00 0.00 C ATOM 365 C ASN A 22 6.777 1.038 10.623 1.00 0.00 C ATOM 366 O ASN A 22 7.255 1.332 11.719 1.00 0.00 O ATOM 367 CB ASN A 22 4.633 2.256 9.922 1.00 0.00 C ATOM 368 CG ASN A 22 4.261 3.580 10.568 1.00 0.00 C ATOM 369 OD1 ASN A 22 3.989 3.669 11.757 1.00 0.00 O ATOM 370 ND2 ASN A 22 4.257 4.655 9.812 1.00 0.00 N ATOM 0 H ASN A 22 5.698 1.651 7.744 1.00 0.00 H new ATOM 0 HA ASN A 22 6.607 3.077 10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.137 2.168 8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.275 1.433 10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.027 5.562 10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.484 4.582 8.820 1.00 0.00 H new ATOM 377 N TRP A 23 6.819 -0.214 10.148 1.00 0.00 N ATOM 378 CA TRP A 23 7.434 -1.347 10.850 1.00 0.00 C ATOM 379 C TRP A 23 8.958 -1.206 11.010 1.00 0.00 C ATOM 380 O TRP A 23 9.500 -1.566 12.057 1.00 0.00 O ATOM 381 CB TRP A 23 7.074 -2.661 10.141 1.00 0.00 C ATOM 382 CG TRP A 23 7.497 -3.926 10.828 1.00 0.00 C ATOM 383 CD1 TRP A 23 7.151 -4.289 12.086 1.00 0.00 C ATOM 384 CD2 TRP A 23 8.306 -5.028 10.308 1.00 0.00 C ATOM 385 NE1 TRP A 23 7.687 -5.527 12.381 1.00 0.00 N ATOM 386 CE2 TRP A 23 8.385 -6.042 11.312 1.00 0.00 C ATOM 387 CE3 TRP A 23 8.966 -5.290 9.085 1.00 0.00 C ATOM 388 CZ2 TRP A 23 9.063 -7.253 11.112 1.00 0.00 C ATOM 389 CZ3 TRP A 23 9.662 -6.497 8.878 1.00 0.00 C ATOM 390 CH2 TRP A 23 9.710 -7.479 9.885 1.00 0.00 C ATOM 0 H TRP A 23 6.418 -0.472 9.246 1.00 0.00 H new ATOM 0 HA TRP A 23 7.026 -1.357 11.861 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.993 -2.691 10.005 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.520 -2.646 9.147 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.546 -3.698 12.758 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.579 -6.000 13.278 1.00 0.00 H new ATOM 0 HE3 TRP A 23 8.936 -4.552 8.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.088 -8.002 11.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 10.164 -6.671 7.937 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.242 -8.403 9.715 1.00 0.00 H new ATOM 401 N LEU A 24 9.648 -0.625 10.020 1.00 0.00 N ATOM 402 CA LEU A 24 11.100 -0.392 10.026 1.00 0.00 C ATOM 403 C LEU A 24 11.602 0.347 11.279 1.00 0.00 C ATOM 404 O LEU A 24 12.709 0.071 11.744 1.00 0.00 O ATOM 405 CB LEU A 24 11.521 0.361 8.743 1.00 0.00 C ATOM 406 CG LEU A 24 12.555 -0.414 7.904 1.00 0.00 C ATOM 407 CD1 LEU A 24 11.908 -1.579 7.151 1.00 0.00 C ATOM 408 CD2 LEU A 24 13.212 0.508 6.875 1.00 0.00 C ATOM 0 H LEU A 24 9.199 -0.294 9.166 1.00 0.00 H new ATOM 0 HA LEU A 24 11.572 -1.374 10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.637 0.553 8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.936 1.331 9.017 1.00 0.00 H new ATOM 0 HG LEU A 24 13.300 -0.800 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.667 -2.103 6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.458 -2.268 7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.138 -1.196 6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.939 -0.057 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.449 0.913 6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.716 1.326 7.389 1.00 0.00 H new ATOM 420 N TRP A 25 10.789 1.233 11.862 1.00 0.00 N ATOM 421 CA TRP A 25 11.092 1.933 13.120 1.00 0.00 C ATOM 422 C TRP A 25 11.345 0.994 14.311 1.00 0.00 C ATOM 423 O TRP A 25 12.217 1.270 15.135 1.00 0.00 O ATOM 424 CB TRP A 25 9.954 2.903 13.467 1.00 0.00 C ATOM 425 CG TRP A 25 9.896 4.152 12.642 1.00 0.00 C ATOM 426 CD1 TRP A 25 8.885 4.517 11.822 1.00 0.00 C ATOM 427 CD2 TRP A 25 10.873 5.237 12.585 1.00 0.00 C ATOM 428 NE1 TRP A 25 9.170 5.747 11.256 1.00 0.00 N ATOM 429 CE2 TRP A 25 10.380 6.240 11.698 1.00 0.00 C ATOM 430 CE3 TRP A 25 12.119 5.479 13.204 1.00 0.00 C ATOM 431 CZ2 TRP A 25 11.085 7.427 11.441 1.00 0.00 C ATOM 432 CZ3 TRP A 25 12.838 6.664 12.951 1.00 0.00 C ATOM 433 CH2 TRP A 25 12.324 7.637 12.074 1.00 0.00 C ATOM 0 H TRP A 25 9.884 1.491 11.468 1.00 0.00 H new ATOM 0 HA TRP A 25 12.023 2.473 12.947 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.006 2.375 13.363 1.00 0.00 H new ATOM 0 HB3 TRP A 25 10.048 3.185 14.516 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.992 3.938 11.637 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.561 6.229 10.594 1.00 0.00 H new ATOM 0 HE3 TRP A 25 12.527 4.744 13.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 10.682 8.168 10.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.790 6.827 13.434 1.00 0.00 H new ATOM 0 HH2 TRP A 25 12.880 8.544 11.887 1.00 0.00 H new ATOM 444 N TYR A 26 10.593 -0.105 14.430 1.00 0.00 N ATOM 445 CA TYR A 26 10.811 -1.116 15.476 1.00 0.00 C ATOM 446 C TYR A 26 12.072 -1.962 15.224 1.00 0.00 C ATOM 447 O TYR A 26 12.726 -2.403 16.173 1.00 0.00 O ATOM 448 CB TYR A 26 9.572 -2.009 15.625 1.00 0.00 C ATOM 449 CG TYR A 26 8.255 -1.251 15.672 1.00 0.00 C ATOM 450 CD1 TYR A 26 7.946 -0.400 16.753 1.00 0.00 C ATOM 451 CD2 TYR A 26 7.357 -1.367 14.598 1.00 0.00 C ATOM 452 CE1 TYR A 26 6.746 0.342 16.745 1.00 0.00 C ATOM 453 CE2 TYR A 26 6.161 -0.625 14.579 1.00 0.00 C ATOM 454 CZ TYR A 26 5.853 0.237 15.654 1.00 0.00 C ATOM 455 OH TYR A 26 4.696 0.955 15.630 1.00 0.00 O ATOM 0 H TYR A 26 9.816 -0.321 13.806 1.00 0.00 H new ATOM 0 HA TYR A 26 10.975 -0.582 16.412 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.543 -2.712 14.793 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.671 -2.598 16.537 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.628 -0.316 17.587 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.587 -2.032 13.779 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.509 0.992 17.574 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.481 -0.715 13.745 1.00 0.00 H new ATOM 0 HH TYR A 26 4.206 0.759 14.804 1.00 0.00 H new ATOM 465 N ILE A 27 12.427 -2.181 13.950 1.00 0.00 N ATOM 466 CA ILE A 27 13.630 -2.914 13.523 1.00 0.00 C ATOM 467 C ILE A 27 14.913 -2.106 13.796 1.00 0.00 C ATOM 468 O ILE A 27 15.883 -2.650 14.335 1.00 0.00 O ATOM 469 CB ILE A 27 13.543 -3.290 12.022 1.00 0.00 C ATOM 470 CG1 ILE A 27 12.209 -3.951 11.611 1.00 0.00 C ATOM 471 CG2 ILE A 27 14.711 -4.205 11.608 1.00 0.00 C ATOM 472 CD1 ILE A 27 11.740 -5.123 12.487 1.00 0.00 C ATOM 0 H ILE A 27 11.870 -1.844 13.165 1.00 0.00 H new ATOM 0 HA ILE A 27 13.678 -3.830 14.112 1.00 0.00 H new ATOM 0 HB ILE A 27 13.603 -2.339 11.493 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.432 -3.187 11.614 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.303 -4.305 10.585 1.00 0.00 H new ATOM 0 HG21 ILE A 27 14.623 -4.452 10.550 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.656 -3.691 11.783 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.682 -5.121 12.198 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.795 -5.508 12.105 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.489 -5.915 12.467 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.604 -4.779 13.512 1.00 0.00 H new ATOM 484 N LYS A 28 14.918 -0.819 13.422 1.00 0.00 N ATOM 485 CA LYS A 28 16.072 0.104 13.438 1.00 0.00 C ATOM 486 C LYS A 28 15.801 1.359 14.287 1.00 0.00 C ATOM 487 O LYS A 28 16.274 1.384 15.447 1.00 0.00 O ATOM 488 CB LYS A 28 16.495 0.407 11.976 1.00 0.00 C ATOM 489 CG LYS A 28 17.931 -0.034 11.627 1.00 0.00 C ATOM 490 CD LYS A 28 18.903 1.155 11.548 1.00 0.00 C ATOM 491 CE LYS A 28 20.338 0.683 11.260 1.00 0.00 C ATOM 492 NZ LYS A 28 20.789 1.026 9.884 1.00 0.00 N ATOM 493 OXT LYS A 28 15.139 2.308 13.808 1.00 0.00 O ATOM 0 H LYS A 28 14.071 -0.364 13.080 1.00 0.00 H new ATOM 0 HA LYS A 28 16.917 -0.373 13.934 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.800 -0.089 11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.403 1.478 11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.285 -0.740 12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.925 -0.560 10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.579 1.841 10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.881 1.709 12.487 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.017 1.134 11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.396 -0.397 11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.761 0.686 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.160 0.575 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.761 2.058 9.757 1.00 0.00 H new TER 507 LYS A 28