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= 0.126 K(o=0.13,f=-2.2!) USER MOD Single : A 1 ASN N :NH3+ 163:sc= 0.287 (180deg=0.141) USER MOD Single : A 3 GLN : amide:sc=-0.00584 X(o=-0.0058,f=-0.14) 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=-0.00568 X(o=-0.0057,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 22 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.25) 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 -10.829 -9.511 -14.599 1.00 0.00 N ATOM 2 CA ASN A 1 -10.180 -8.186 -14.785 1.00 0.00 C ATOM 3 C ASN A 1 -11.180 -7.076 -14.467 1.00 0.00 C ATOM 4 O ASN A 1 -12.282 -7.078 -15.015 1.00 0.00 O ATOM 5 CB ASN A 1 -9.625 -7.993 -16.217 1.00 0.00 C ATOM 6 CG ASN A 1 -8.522 -8.995 -16.568 1.00 0.00 C ATOM 7 OD1 ASN A 1 -8.705 -10.201 -16.469 1.00 0.00 O ATOM 8 ND2 ASN A 1 -7.350 -8.550 -16.980 1.00 0.00 N ATOM 0 H1 ASN A 1 -10.267 -10.243 -15.079 1.00 0.00 H new ATOM 0 H2 ASN A 1 -10.888 -9.729 -13.584 1.00 0.00 H new ATOM 0 H3 ASN A 1 -11.786 -9.489 -15.004 1.00 0.00 H new ATOM 0 HA ASN A 1 -9.333 -8.140 -14.101 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -10.440 -8.092 -16.934 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -9.234 -6.980 -16.316 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -6.607 -9.209 -17.212 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -7.187 -7.547 -17.066 1.00 0.00 H new ATOM 17 N GLU A 2 -10.812 -6.109 -13.620 1.00 0.00 N ATOM 18 CA GLU A 2 -11.648 -4.951 -13.258 1.00 0.00 C ATOM 19 C GLU A 2 -10.861 -3.633 -13.371 1.00 0.00 C ATOM 20 O GLU A 2 -10.366 -3.098 -12.378 1.00 0.00 O ATOM 21 CB GLU A 2 -12.261 -5.125 -11.854 1.00 0.00 C ATOM 22 CG GLU A 2 -13.400 -6.157 -11.782 1.00 0.00 C ATOM 23 CD GLU A 2 -13.096 -7.307 -10.803 1.00 0.00 C ATOM 24 OE1 GLU A 2 -12.200 -8.136 -11.096 1.00 0.00 O ATOM 25 OE2 GLU A 2 -13.771 -7.406 -9.748 1.00 0.00 O ATOM 0 H GLU A 2 -9.904 -6.106 -13.154 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.470 -4.900 -13.972 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.474 -5.422 -11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.638 -4.161 -11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.319 -5.657 -11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.576 -6.568 -12.776 1.00 0.00 H new ATOM 32 N GLN A 3 -10.772 -3.081 -14.587 1.00 0.00 N ATOM 33 CA GLN A 3 -10.147 -1.773 -14.863 1.00 0.00 C ATOM 34 C GLN A 3 -10.758 -0.644 -14.004 1.00 0.00 C ATOM 35 O GLN A 3 -10.050 0.262 -13.563 1.00 0.00 O ATOM 36 CB GLN A 3 -10.285 -1.441 -16.360 1.00 0.00 C ATOM 37 CG GLN A 3 -9.429 -2.331 -17.282 1.00 0.00 C ATOM 38 CD GLN A 3 -7.925 -2.054 -17.187 1.00 0.00 C ATOM 39 OE1 GLN A 3 -7.465 -0.920 -17.135 1.00 0.00 O ATOM 40 NE2 GLN A 3 -7.089 -3.072 -17.187 1.00 0.00 N ATOM 0 H GLN A 3 -11.137 -3.535 -15.424 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.092 -1.843 -14.597 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.332 -1.538 -16.648 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.007 -0.399 -16.518 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.613 -3.377 -17.035 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -9.751 -2.186 -18.313 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.447 -4.026 -17.230 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.083 -2.906 -17.144 1.00 0.00 H new ATOM 49 N GLU A 4 -12.061 -0.729 -13.713 1.00 0.00 N ATOM 50 CA GLU A 4 -12.801 0.191 -12.835 1.00 0.00 C ATOM 51 C GLU A 4 -12.349 0.159 -11.359 1.00 0.00 C ATOM 52 O GLU A 4 -12.465 1.169 -10.666 1.00 0.00 O ATOM 53 CB GLU A 4 -14.310 -0.087 -12.955 1.00 0.00 C ATOM 54 CG GLU A 4 -14.756 -1.421 -12.328 1.00 0.00 C ATOM 55 CD GLU A 4 -16.222 -1.747 -12.671 1.00 0.00 C ATOM 56 OE1 GLU A 4 -17.133 -0.975 -12.282 1.00 0.00 O ATOM 57 OE2 GLU A 4 -16.477 -2.789 -13.323 1.00 0.00 O ATOM 0 H GLU A 4 -12.653 -1.467 -14.095 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.575 1.201 -13.179 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.857 0.727 -12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.586 -0.083 -14.009 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.111 -2.225 -12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.637 -1.373 -11.246 1.00 0.00 H new ATOM 64 N LEU A 5 -11.870 -0.990 -10.860 1.00 0.00 N ATOM 65 CA LEU A 5 -11.306 -1.141 -9.509 1.00 0.00 C ATOM 66 C LEU A 5 -9.791 -0.882 -9.483 1.00 0.00 C ATOM 67 O LEU A 5 -9.255 -0.461 -8.459 1.00 0.00 O ATOM 68 CB LEU A 5 -11.624 -2.538 -8.931 1.00 0.00 C ATOM 69 CG LEU A 5 -12.469 -2.472 -7.646 1.00 0.00 C ATOM 70 CD1 LEU A 5 -13.948 -2.249 -7.972 1.00 0.00 C ATOM 71 CD2 LEU A 5 -12.334 -3.775 -6.857 1.00 0.00 C ATOM 0 H LEU A 5 -11.863 -1.859 -11.395 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.779 -0.386 -8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.156 -3.124 -9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.691 -3.061 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.102 -1.635 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.522 -2.206 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.064 -1.311 -8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.313 -3.071 -8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.936 -3.716 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.680 -4.608 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.289 -3.931 -6.589 1.00 0.00 H new ATOM 83 N LEU A 6 -9.098 -1.118 -10.603 1.00 0.00 N ATOM 84 CA LEU A 6 -7.643 -0.989 -10.751 1.00 0.00 C ATOM 85 C LEU A 6 -7.125 0.400 -10.331 1.00 0.00 C ATOM 86 O LEU A 6 -6.067 0.515 -9.715 1.00 0.00 O ATOM 87 CB LEU A 6 -7.254 -1.302 -12.212 1.00 0.00 C ATOM 88 CG LEU A 6 -6.064 -2.272 -12.325 1.00 0.00 C ATOM 89 CD1 LEU A 6 -6.551 -3.721 -12.227 1.00 0.00 C ATOM 90 CD2 LEU A 6 -5.310 -2.111 -13.649 1.00 0.00 C ATOM 0 H LEU A 6 -9.553 -1.416 -11.466 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.170 -1.705 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.114 -1.730 -12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.007 -0.372 -12.723 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.388 -2.034 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.700 -4.397 -12.308 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.046 -3.874 -11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.254 -3.924 -13.035 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.479 -2.816 -13.683 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.987 -2.308 -14.480 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.926 -1.094 -13.728 1.00 0.00 H new ATOM 102 N GLU A 7 -7.895 1.451 -10.622 1.00 0.00 N ATOM 103 CA GLU A 7 -7.624 2.841 -10.222 1.00 0.00 C ATOM 104 C GLU A 7 -7.487 3.024 -8.694 1.00 0.00 C ATOM 105 O GLU A 7 -6.712 3.866 -8.235 1.00 0.00 O ATOM 106 CB GLU A 7 -8.718 3.757 -10.811 1.00 0.00 C ATOM 107 CG GLU A 7 -10.111 3.533 -10.193 1.00 0.00 C ATOM 108 CD GLU A 7 -11.239 4.277 -10.943 1.00 0.00 C ATOM 109 OE1 GLU A 7 -11.283 4.254 -12.198 1.00 0.00 O ATOM 110 OE2 GLU A 7 -12.101 4.902 -10.276 1.00 0.00 O ATOM 0 H GLU A 7 -8.756 1.358 -11.162 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.652 3.122 -10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.427 4.797 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.777 3.593 -11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.331 2.465 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.097 3.861 -9.154 1.00 0.00 H new ATOM 117 N LEU A 8 -8.202 2.212 -7.905 1.00 0.00 N ATOM 118 CA LEU A 8 -8.139 2.150 -6.442 1.00 0.00 C ATOM 119 C LEU A 8 -7.130 1.093 -5.951 1.00 0.00 C ATOM 120 O LEU A 8 -6.506 1.283 -4.909 1.00 0.00 O ATOM 121 CB LEU A 8 -9.565 1.889 -5.917 1.00 0.00 C ATOM 122 CG LEU A 8 -9.708 1.820 -4.384 1.00 0.00 C ATOM 123 CD1 LEU A 8 -9.198 3.085 -3.690 1.00 0.00 C ATOM 124 CD2 LEU A 8 -11.182 1.634 -4.021 1.00 0.00 C ATOM 0 H LEU A 8 -8.873 1.548 -8.291 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.774 3.098 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.220 2.676 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.922 0.950 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.105 0.979 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.322 2.984 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.143 3.227 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.766 3.947 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.286 1.585 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.760 2.475 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.552 0.709 -4.463 1.00 0.00 H new ATOM 136 N ASP A 9 -6.911 0.012 -6.708 1.00 0.00 N ATOM 137 CA ASP A 9 -5.923 -1.036 -6.409 1.00 0.00 C ATOM 138 C ASP A 9 -4.499 -0.477 -6.223 1.00 0.00 C ATOM 139 O ASP A 9 -3.823 -0.807 -5.244 1.00 0.00 O ATOM 140 CB ASP A 9 -5.948 -2.102 -7.516 1.00 0.00 C ATOM 141 CG ASP A 9 -5.018 -3.280 -7.190 1.00 0.00 C ATOM 142 OD1 ASP A 9 -5.365 -4.103 -6.310 1.00 0.00 O ATOM 143 OD2 ASP A 9 -3.940 -3.384 -7.824 1.00 0.00 O ATOM 0 H ASP A 9 -7.429 -0.165 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.203 -1.488 -5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.967 -2.468 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.647 -1.652 -8.462 1.00 0.00 H new ATOM 148 N LYS A 10 -4.049 0.411 -7.127 1.00 0.00 N ATOM 149 CA LYS A 10 -2.745 1.100 -7.003 1.00 0.00 C ATOM 150 C LYS A 10 -2.675 1.938 -5.720 1.00 0.00 C ATOM 151 O LYS A 10 -1.678 1.897 -5.001 1.00 0.00 O ATOM 152 CB LYS A 10 -2.471 1.999 -8.226 1.00 0.00 C ATOM 153 CG LYS A 10 -1.797 1.312 -9.429 1.00 0.00 C ATOM 154 CD LYS A 10 -2.725 0.474 -10.323 1.00 0.00 C ATOM 155 CE LYS A 10 -2.862 -0.991 -9.887 1.00 0.00 C ATOM 156 NZ LYS A 10 -1.686 -1.808 -10.290 1.00 0.00 N ATOM 0 H LYS A 10 -4.574 0.673 -7.962 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.978 0.327 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.418 2.425 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.842 2.830 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.325 2.078 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.001 0.667 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.714 0.933 -10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.350 0.504 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.981 -1.037 -8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.765 -1.416 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.821 -2.790 -9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.587 -1.787 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.827 -1.419 -9.852 1.00 0.00 H new ATOM 170 N TRP A 11 -3.745 2.674 -5.417 1.00 0.00 N ATOM 171 CA TRP A 11 -3.877 3.490 -4.203 1.00 0.00 C ATOM 172 C TRP A 11 -3.790 2.646 -2.914 1.00 0.00 C ATOM 173 O TRP A 11 -3.103 3.024 -1.963 1.00 0.00 O ATOM 174 CB TRP A 11 -5.180 4.309 -4.269 1.00 0.00 C ATOM 175 CG TRP A 11 -5.038 5.760 -3.919 1.00 0.00 C ATOM 176 CD1 TRP A 11 -4.466 6.238 -2.791 1.00 0.00 C ATOM 177 CD2 TRP A 11 -5.453 6.934 -4.689 1.00 0.00 C ATOM 178 NE1 TRP A 11 -4.489 7.621 -2.809 1.00 0.00 N ATOM 179 CE2 TRP A 11 -5.087 8.103 -3.954 1.00 0.00 C ATOM 180 CE3 TRP A 11 -6.094 7.138 -5.933 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -5.339 9.401 -4.424 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -6.352 8.437 -6.415 1.00 0.00 C ATOM 183 CH2 TRP A 11 -5.977 9.567 -5.665 1.00 0.00 C ATOM 0 H TRP A 11 -4.565 2.722 -6.022 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.033 4.179 -4.162 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.588 4.233 -5.277 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.909 3.858 -3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.054 5.633 -1.997 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.111 8.211 -2.068 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.391 6.284 -6.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.047 10.261 -3.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.842 8.566 -7.369 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.179 10.559 -6.042 1.00 0.00 H new ATOM 194 N ALA A 12 -4.431 1.471 -2.894 1.00 0.00 N ATOM 195 CA ALA A 12 -4.366 0.508 -1.791 1.00 0.00 C ATOM 196 C ALA A 12 -2.954 -0.087 -1.584 1.00 0.00 C ATOM 197 O ALA A 12 -2.538 -0.306 -0.444 1.00 0.00 O ATOM 198 CB ALA A 12 -5.410 -0.589 -2.039 1.00 0.00 C ATOM 0 H ALA A 12 -5.023 1.157 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.590 1.034 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.375 -1.315 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.403 -0.142 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.194 -1.090 -2.983 1.00 0.00 H new ATOM 204 N SER A 13 -2.189 -0.298 -2.664 1.00 0.00 N ATOM 205 CA SER A 13 -0.789 -0.758 -2.613 1.00 0.00 C ATOM 206 C SER A 13 0.095 0.196 -1.789 1.00 0.00 C ATOM 207 O SER A 13 0.831 -0.231 -0.893 1.00 0.00 O ATOM 208 CB SER A 13 -0.241 -0.925 -4.038 1.00 0.00 C ATOM 209 OG SER A 13 0.985 -1.636 -4.021 1.00 0.00 O ATOM 0 H SER A 13 -2.529 -0.152 -3.615 1.00 0.00 H new ATOM 0 HA SER A 13 -0.767 -1.725 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.967 -1.457 -4.653 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.093 0.054 -4.494 1.00 0.00 H new ATOM 0 HG SER A 13 1.319 -1.735 -4.937 1.00 0.00 H new ATOM 215 N LEU A 14 -0.032 1.508 -2.032 1.00 0.00 N ATOM 216 CA LEU A 14 0.646 2.575 -1.281 1.00 0.00 C ATOM 217 C LEU A 14 0.229 2.633 0.200 1.00 0.00 C ATOM 218 O LEU A 14 1.060 2.915 1.067 1.00 0.00 O ATOM 219 CB LEU A 14 0.359 3.922 -1.970 1.00 0.00 C ATOM 220 CG LEU A 14 1.354 4.244 -3.097 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.743 5.265 -4.056 1.00 0.00 C ATOM 222 CD2 LEU A 14 2.653 4.823 -2.524 1.00 0.00 C ATOM 0 H LEU A 14 -0.627 1.867 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 14 1.714 2.358 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.652 3.907 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.391 4.718 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 14 1.575 3.318 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.454 5.488 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.170 4.856 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.508 6.180 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.343 5.044 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.433 5.739 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.108 4.098 -1.849 1.00 0.00 H new ATOM 234 N TRP A 15 -1.036 2.333 0.512 1.00 0.00 N ATOM 235 CA TRP A 15 -1.539 2.257 1.891 1.00 0.00 C ATOM 236 C TRP A 15 -0.800 1.196 2.719 1.00 0.00 C ATOM 237 O TRP A 15 -0.383 1.462 3.849 1.00 0.00 O ATOM 238 CB TRP A 15 -3.057 2.009 1.894 1.00 0.00 C ATOM 239 CG TRP A 15 -3.845 3.048 2.625 1.00 0.00 C ATOM 240 CD1 TRP A 15 -4.369 2.926 3.866 1.00 0.00 C ATOM 241 CD2 TRP A 15 -4.188 4.391 2.170 1.00 0.00 C ATOM 242 NE1 TRP A 15 -5.027 4.097 4.202 1.00 0.00 N ATOM 243 CE2 TRP A 15 -4.949 5.032 3.191 1.00 0.00 C ATOM 244 CE3 TRP A 15 -3.923 5.133 0.998 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -5.440 6.340 3.051 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -4.402 6.450 0.853 1.00 0.00 C ATOM 247 CH2 TRP A 15 -5.165 7.050 1.870 1.00 0.00 C ATOM 0 H TRP A 15 -1.748 2.134 -0.191 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.343 3.218 2.367 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.408 1.961 0.863 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.254 1.036 2.344 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.287 2.052 4.496 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.510 4.249 5.088 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.346 4.685 0.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.021 6.794 3.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.181 7.004 -0.048 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.539 8.055 1.744 1.00 0.00 H new ATOM 258 N ASN A 16 -0.595 0.002 2.152 1.00 0.00 N ATOM 259 CA ASN A 16 0.164 -1.071 2.800 1.00 0.00 C ATOM 260 C ASN A 16 1.664 -0.732 2.920 1.00 0.00 C ATOM 261 O ASN A 16 2.287 -1.069 3.928 1.00 0.00 O ATOM 262 CB ASN A 16 -0.075 -2.392 2.043 1.00 0.00 C ATOM 263 CG ASN A 16 -0.026 -3.605 2.963 1.00 0.00 C ATOM 264 OD1 ASN A 16 -1.014 -4.299 3.161 1.00 0.00 O ATOM 265 ND2 ASN A 16 1.101 -3.905 3.568 1.00 0.00 N ATOM 0 H ASN A 16 -0.952 -0.247 1.229 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.194 -1.184 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.045 -2.354 1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.677 -2.501 1.262 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.145 -4.709 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.932 -3.334 3.411 1.00 0.00 H new ATOM 272 N TRP A 17 2.244 -0.040 1.931 1.00 0.00 N ATOM 273 CA TRP A 17 3.635 0.437 1.973 1.00 0.00 C ATOM 274 C TRP A 17 3.907 1.373 3.162 1.00 0.00 C ATOM 275 O TRP A 17 4.946 1.234 3.805 1.00 0.00 O ATOM 276 CB TRP A 17 4.010 1.108 0.644 1.00 0.00 C ATOM 277 CG TRP A 17 5.374 1.730 0.615 1.00 0.00 C ATOM 278 CD1 TRP A 17 6.535 1.076 0.382 1.00 0.00 C ATOM 279 CD2 TRP A 17 5.740 3.124 0.868 1.00 0.00 C ATOM 280 NE1 TRP A 17 7.590 1.966 0.465 1.00 0.00 N ATOM 281 CE2 TRP A 17 7.159 3.240 0.772 1.00 0.00 C ATOM 282 CE3 TRP A 17 5.020 4.300 1.178 1.00 0.00 C ATOM 283 CZ2 TRP A 17 7.832 4.455 0.969 1.00 0.00 C ATOM 284 CZ3 TRP A 17 5.685 5.527 1.380 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.086 5.606 1.277 1.00 0.00 C ATOM 0 H TRP A 17 1.757 0.208 1.070 1.00 0.00 H new ATOM 0 HA TRP A 17 4.270 -0.437 2.119 1.00 0.00 H new ATOM 0 HB2 TRP A 17 3.948 0.366 -0.152 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.271 1.877 0.421 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.624 0.022 0.165 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.567 1.712 0.317 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.944 4.258 1.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.908 4.505 0.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.114 6.413 1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.588 6.549 1.434 1.00 0.00 H new ATOM 296 N PHE A 18 2.964 2.260 3.517 1.00 0.00 N ATOM 297 CA PHE A 18 3.090 3.165 4.674 1.00 0.00 C ATOM 298 C PHE A 18 3.363 2.411 5.994 1.00 0.00 C ATOM 299 O PHE A 18 4.128 2.872 6.845 1.00 0.00 O ATOM 300 CB PHE A 18 1.835 4.050 4.783 1.00 0.00 C ATOM 301 CG PHE A 18 2.054 5.346 5.550 1.00 0.00 C ATOM 302 CD1 PHE A 18 2.147 5.346 6.957 1.00 0.00 C ATOM 303 CD2 PHE A 18 2.177 6.565 4.852 1.00 0.00 C ATOM 304 CE1 PHE A 18 2.390 6.544 7.653 1.00 0.00 C ATOM 305 CE2 PHE A 18 2.405 7.765 5.549 1.00 0.00 C ATOM 306 CZ PHE A 18 2.519 7.755 6.951 1.00 0.00 C ATOM 0 H PHE A 18 2.087 2.371 3.008 1.00 0.00 H new ATOM 0 HA PHE A 18 3.960 3.799 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.484 4.289 3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.043 3.481 5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.031 4.421 7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.096 6.577 3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.478 6.533 8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.493 8.695 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.705 8.674 7.486 1.00 0.00 H new ATOM 316 N ASN A 19 2.758 1.229 6.170 1.00 0.00 N ATOM 317 CA ASN A 19 3.010 0.360 7.324 1.00 0.00 C ATOM 318 C ASN A 19 4.451 -0.190 7.310 1.00 0.00 C ATOM 319 O ASN A 19 5.122 -0.177 8.342 1.00 0.00 O ATOM 320 CB ASN A 19 1.958 -0.770 7.372 1.00 0.00 C ATOM 321 CG ASN A 19 0.964 -0.563 8.503 1.00 0.00 C ATOM 322 OD1 ASN A 19 1.276 -0.736 9.672 1.00 0.00 O ATOM 323 ND2 ASN A 19 -0.261 -0.190 8.207 1.00 0.00 N ATOM 0 H ASN A 19 2.077 0.848 5.513 1.00 0.00 H new ATOM 0 HA ASN A 19 2.913 0.950 8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.425 -0.812 6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.460 -1.729 7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.944 -0.047 8.951 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.528 -0.044 7.234 1.00 0.00 H new ATOM 330 N ILE A 20 4.951 -0.628 6.146 1.00 0.00 N ATOM 331 CA ILE A 20 6.329 -1.122 5.968 1.00 0.00 C ATOM 332 C ILE A 20 7.381 -0.057 6.322 1.00 0.00 C ATOM 333 O ILE A 20 8.377 -0.383 6.972 1.00 0.00 O ATOM 334 CB ILE A 20 6.557 -1.677 4.541 1.00 0.00 C ATOM 335 CG1 ILE A 20 5.537 -2.764 4.134 1.00 0.00 C ATOM 336 CG2 ILE A 20 7.986 -2.233 4.376 1.00 0.00 C ATOM 337 CD1 ILE A 20 5.350 -3.919 5.132 1.00 0.00 C ATOM 0 H ILE A 20 4.403 -0.650 5.286 1.00 0.00 H new ATOM 0 HA ILE A 20 6.456 -1.945 6.671 1.00 0.00 H new ATOM 0 HB ILE A 20 6.413 -0.826 3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.570 -2.286 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.845 -3.184 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.113 -2.615 3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.709 -1.438 4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.147 -3.040 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.612 -4.621 4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.300 -4.434 5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.005 -3.522 6.087 1.00 0.00 H new ATOM 349 N THR A 21 7.163 1.217 5.965 1.00 0.00 N ATOM 350 CA THR A 21 8.085 2.321 6.309 1.00 0.00 C ATOM 351 C THR A 21 8.319 2.438 7.818 1.00 0.00 C ATOM 352 O THR A 21 9.445 2.693 8.248 1.00 0.00 O ATOM 353 CB THR A 21 7.620 3.702 5.789 1.00 0.00 C ATOM 354 OG1 THR A 21 6.501 3.630 4.934 1.00 0.00 O ATOM 355 CG2 THR A 21 8.718 4.395 4.984 1.00 0.00 C ATOM 0 H THR A 21 6.347 1.516 5.431 1.00 0.00 H new ATOM 0 HA THR A 21 9.015 2.053 5.807 1.00 0.00 H new ATOM 0 HB THR A 21 7.364 4.257 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.255 4.532 4.641 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.357 5.362 4.634 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.595 4.541 5.615 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.987 3.777 4.128 1.00 0.00 H new ATOM 363 N ASN A 22 7.280 2.217 8.635 1.00 0.00 N ATOM 364 CA ASN A 22 7.394 2.204 10.096 1.00 0.00 C ATOM 365 C ASN A 22 7.846 0.835 10.653 1.00 0.00 C ATOM 366 O ASN A 22 8.536 0.791 11.670 1.00 0.00 O ATOM 367 CB ASN A 22 6.065 2.675 10.714 1.00 0.00 C ATOM 368 CG ASN A 22 6.276 3.364 12.058 1.00 0.00 C ATOM 369 OD1 ASN A 22 7.098 4.259 12.205 1.00 0.00 O ATOM 370 ND2 ASN A 22 5.526 3.011 13.078 1.00 0.00 N ATOM 0 H ASN A 22 6.334 2.042 8.297 1.00 0.00 H new ATOM 0 HA ASN A 22 8.183 2.899 10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.569 3.361 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.402 1.820 10.844 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.633 3.481 13.977 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.837 2.267 12.971 1.00 0.00 H new ATOM 377 N TRP A 23 7.530 -0.277 9.977 1.00 0.00 N ATOM 378 CA TRP A 23 7.965 -1.632 10.357 1.00 0.00 C ATOM 379 C TRP A 23 9.492 -1.799 10.377 1.00 0.00 C ATOM 380 O TRP A 23 10.008 -2.596 11.159 1.00 0.00 O ATOM 381 CB TRP A 23 7.328 -2.677 9.430 1.00 0.00 C ATOM 382 CG TRP A 23 7.454 -4.112 9.864 1.00 0.00 C ATOM 383 CD1 TRP A 23 7.223 -4.579 11.113 1.00 0.00 C ATOM 384 CD2 TRP A 23 7.817 -5.282 9.064 1.00 0.00 C ATOM 385 NE1 TRP A 23 7.418 -5.947 11.143 1.00 0.00 N ATOM 386 CE2 TRP A 23 7.763 -6.436 9.902 1.00 0.00 C ATOM 387 CE3 TRP A 23 8.175 -5.494 7.712 1.00 0.00 C ATOM 388 CZ2 TRP A 23 8.032 -7.730 9.428 1.00 0.00 C ATOM 389 CZ3 TRP A 23 8.454 -6.787 7.225 1.00 0.00 C ATOM 390 CH2 TRP A 23 8.381 -7.904 8.078 1.00 0.00 C ATOM 0 H TRP A 23 6.954 -0.263 9.135 1.00 0.00 H new ATOM 0 HA TRP A 23 7.623 -1.789 11.380 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.269 -2.442 9.325 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.776 -2.577 8.441 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.930 -3.974 11.959 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.319 -6.523 11.979 1.00 0.00 H new ATOM 0 HE3 TRP A 23 8.236 -4.650 7.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.972 -8.580 10.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.726 -6.922 6.189 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.593 -8.892 7.696 1.00 0.00 H new ATOM 401 N LEU A 24 10.230 -1.005 9.590 1.00 0.00 N ATOM 402 CA LEU A 24 11.701 -0.981 9.584 1.00 0.00 C ATOM 403 C LEU A 24 12.291 -0.803 10.999 1.00 0.00 C ATOM 404 O LEU A 24 13.272 -1.459 11.354 1.00 0.00 O ATOM 405 CB LEU A 24 12.209 0.142 8.645 1.00 0.00 C ATOM 406 CG LEU A 24 13.140 -0.371 7.527 1.00 0.00 C ATOM 407 CD1 LEU A 24 12.382 -0.499 6.204 1.00 0.00 C ATOM 408 CD2 LEU A 24 14.324 0.574 7.318 1.00 0.00 C ATOM 0 H LEU A 24 9.815 -0.349 8.928 1.00 0.00 H new ATOM 0 HA LEU A 24 12.041 -1.948 9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.353 0.643 8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.740 0.888 9.236 1.00 0.00 H new ATOM 0 HG LEU A 24 13.506 -1.349 7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.059 -0.862 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.557 -1.202 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.989 0.476 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.963 0.187 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.957 1.561 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.898 0.648 8.242 1.00 0.00 H new ATOM 420 N TRP A 25 11.660 0.047 11.821 1.00 0.00 N ATOM 421 CA TRP A 25 12.011 0.290 13.226 1.00 0.00 C ATOM 422 C TRP A 25 11.804 -0.944 14.120 1.00 0.00 C ATOM 423 O TRP A 25 12.477 -1.085 15.142 1.00 0.00 O ATOM 424 CB TRP A 25 11.185 1.468 13.764 1.00 0.00 C ATOM 425 CG TRP A 25 11.449 2.799 13.122 1.00 0.00 C ATOM 426 CD1 TRP A 25 10.911 3.244 11.962 1.00 0.00 C ATOM 427 CD2 TRP A 25 12.308 3.878 13.604 1.00 0.00 C ATOM 428 NE1 TRP A 25 11.374 4.520 11.694 1.00 0.00 N ATOM 429 CE2 TRP A 25 12.234 4.961 12.678 1.00 0.00 C ATOM 430 CE3 TRP A 25 13.139 4.053 14.732 1.00 0.00 C ATOM 431 CZ2 TRP A 25 12.941 6.159 12.863 1.00 0.00 C ATOM 432 CZ3 TRP A 25 13.856 5.250 14.928 1.00 0.00 C ATOM 433 CH2 TRP A 25 13.758 6.302 13.998 1.00 0.00 C ATOM 0 H TRP A 25 10.863 0.604 11.514 1.00 0.00 H new ATOM 0 HA TRP A 25 13.075 0.525 13.255 1.00 0.00 H new ATOM 0 HB2 TRP A 25 10.128 1.231 13.643 1.00 0.00 H new ATOM 0 HB3 TRP A 25 11.371 1.559 14.834 1.00 0.00 H new ATOM 0 HD1 TRP A 25 10.225 2.688 11.341 1.00 0.00 H new ATOM 0 HE1 TRP A 25 11.112 5.065 10.873 1.00 0.00 H new ATOM 0 HE3 TRP A 25 13.226 3.257 15.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 12.859 6.960 12.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 14.486 5.361 15.798 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.309 7.217 14.156 1.00 0.00 H new ATOM 444 N TYR A 26 10.853 -1.820 13.780 1.00 0.00 N ATOM 445 CA TYR A 26 10.617 -3.086 14.477 1.00 0.00 C ATOM 446 C TYR A 26 11.722 -4.113 14.169 1.00 0.00 C ATOM 447 O TYR A 26 12.181 -4.825 15.065 1.00 0.00 O ATOM 448 CB TYR A 26 9.225 -3.638 14.125 1.00 0.00 C ATOM 449 CG TYR A 26 8.513 -4.190 15.342 1.00 0.00 C ATOM 450 CD1 TYR A 26 8.799 -5.488 15.809 1.00 0.00 C ATOM 451 CD2 TYR A 26 7.623 -3.364 16.054 1.00 0.00 C ATOM 452 CE1 TYR A 26 8.202 -5.958 16.996 1.00 0.00 C ATOM 453 CE2 TYR A 26 7.019 -3.832 17.237 1.00 0.00 C ATOM 454 CZ TYR A 26 7.314 -5.127 17.717 1.00 0.00 C ATOM 455 OH TYR A 26 6.755 -5.557 18.882 1.00 0.00 O ATOM 0 H TYR A 26 10.215 -1.665 12.999 1.00 0.00 H new ATOM 0 HA TYR A 26 10.648 -2.895 15.550 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.622 -2.846 13.680 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.325 -4.423 13.375 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.476 -6.123 15.257 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.403 -2.370 15.693 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.423 -6.952 17.355 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.330 -3.200 17.777 1.00 0.00 H new ATOM 0 HH TYR A 26 6.172 -4.857 19.243 1.00 0.00 H new ATOM 465 N ILE A 27 12.153 -4.191 12.900 1.00 0.00 N ATOM 466 CA ILE A 27 13.197 -5.116 12.425 1.00 0.00 C ATOM 467 C ILE A 27 14.584 -4.760 12.995 1.00 0.00 C ATOM 468 O ILE A 27 15.262 -5.634 13.544 1.00 0.00 O ATOM 469 CB ILE A 27 13.248 -5.133 10.879 1.00 0.00 C ATOM 470 CG1 ILE A 27 11.903 -5.491 10.211 1.00 0.00 C ATOM 471 CG2 ILE A 27 14.343 -6.089 10.362 1.00 0.00 C ATOM 472 CD1 ILE A 27 11.264 -6.810 10.663 1.00 0.00 C ATOM 0 H ILE A 27 11.778 -3.600 12.158 1.00 0.00 H new ATOM 0 HA ILE A 27 12.934 -6.110 12.785 1.00 0.00 H new ATOM 0 HB ILE A 27 13.485 -4.107 10.596 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.197 -4.683 10.402 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.054 -5.533 9.132 1.00 0.00 H new ATOM 0 HG21 ILE A 27 14.352 -6.077 9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.314 -5.766 10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.138 -7.101 10.712 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.325 -6.961 10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.941 -7.636 10.445 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.071 -6.772 11.735 1.00 0.00 H new ATOM 484 N LYS A 28 15.004 -3.493 12.864 1.00 0.00 N ATOM 485 CA LYS A 28 16.286 -2.956 13.354 1.00 0.00 C ATOM 486 C LYS A 28 16.250 -2.680 14.871 1.00 0.00 C ATOM 487 O LYS A 28 16.921 -3.426 15.622 1.00 0.00 O ATOM 488 CB LYS A 28 16.653 -1.719 12.507 1.00 0.00 C ATOM 489 CG LYS A 28 17.886 -0.951 13.018 1.00 0.00 C ATOM 490 CD LYS A 28 19.043 -0.874 12.014 1.00 0.00 C ATOM 491 CE LYS A 28 20.165 -0.028 12.638 1.00 0.00 C ATOM 492 NZ LYS A 28 21.504 -0.367 12.088 1.00 0.00 N ATOM 493 OXT LYS A 28 15.587 -1.713 15.305 1.00 0.00 O ATOM 0 H LYS A 28 14.439 -2.785 12.396 1.00 0.00 H new ATOM 0 HA LYS A 28 17.075 -3.698 13.231 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.836 -2.036 11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.800 -1.041 12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.584 0.062 13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.244 -1.428 13.931 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.408 -1.873 11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.706 -0.427 11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.960 1.028 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.171 -0.177 13.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.226 0.230 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.714 -1.368 12.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.510 -0.200 11.061 1.00 0.00 H new TER 507 LYS A 28