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= -0.159 K(o=-0.16,f=-2.7!) 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=-0.45) 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= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 19 ASN : amide:sc=-0.00126 X(o=-0.0013,f=-0.13) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0338 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 -12.001 -10.248 -12.493 1.00 0.00 N ATOM 2 CA ASN A 1 -11.891 -9.097 -13.424 1.00 0.00 C ATOM 3 C ASN A 1 -12.086 -7.789 -12.650 1.00 0.00 C ATOM 4 O ASN A 1 -13.215 -7.387 -12.373 1.00 0.00 O ATOM 5 CB ASN A 1 -12.869 -9.230 -14.617 1.00 0.00 C ATOM 6 CG ASN A 1 -12.662 -8.160 -15.693 1.00 0.00 C ATOM 7 OD1 ASN A 1 -11.880 -7.230 -15.548 1.00 0.00 O ATOM 8 ND2 ASN A 1 -13.343 -8.262 -16.818 1.00 0.00 N ATOM 0 H1 ASN A 1 -11.868 -11.135 -13.020 1.00 0.00 H new ATOM 0 H2 ASN A 1 -11.270 -10.170 -11.757 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.941 -10.247 -12.049 1.00 0.00 H new ATOM 0 HA ASN A 1 -10.891 -9.088 -13.858 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.750 -10.216 -15.067 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.893 -9.170 -14.247 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -13.215 -7.570 -17.556 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.998 -9.033 -16.950 1.00 0.00 H new ATOM 17 N GLU A 2 -10.984 -7.136 -12.268 1.00 0.00 N ATOM 18 CA GLU A 2 -10.975 -5.915 -11.434 1.00 0.00 C ATOM 19 C GLU A 2 -10.101 -4.791 -12.038 1.00 0.00 C ATOM 20 O GLU A 2 -9.764 -3.817 -11.366 1.00 0.00 O ATOM 21 CB GLU A 2 -10.591 -6.317 -9.991 1.00 0.00 C ATOM 22 CG GLU A 2 -11.342 -5.525 -8.909 1.00 0.00 C ATOM 23 CD GLU A 2 -11.553 -6.371 -7.637 1.00 0.00 C ATOM 24 OE1 GLU A 2 -10.582 -6.581 -6.867 1.00 0.00 O ATOM 25 OE2 GLU A 2 -12.693 -6.840 -7.397 1.00 0.00 O ATOM 0 H GLU A 2 -10.048 -7.443 -12.533 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.971 -5.472 -11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.789 -7.380 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.519 -6.173 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.781 -4.624 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.308 -5.202 -9.297 1.00 0.00 H new ATOM 32 N GLN A 3 -9.753 -4.917 -13.327 1.00 0.00 N ATOM 33 CA GLN A 3 -8.896 -4.008 -14.104 1.00 0.00 C ATOM 34 C GLN A 3 -9.354 -2.538 -14.086 1.00 0.00 C ATOM 35 O GLN A 3 -8.521 -1.633 -14.107 1.00 0.00 O ATOM 36 CB GLN A 3 -8.777 -4.542 -15.546 1.00 0.00 C ATOM 37 CG GLN A 3 -10.090 -4.461 -16.353 1.00 0.00 C ATOM 38 CD GLN A 3 -10.065 -5.243 -17.670 1.00 0.00 C ATOM 39 OE1 GLN A 3 -9.416 -6.271 -17.827 1.00 0.00 O ATOM 40 NE2 GLN A 3 -10.783 -4.792 -18.679 1.00 0.00 N ATOM 0 H GLN A 3 -10.081 -5.703 -13.889 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.918 -3.997 -13.623 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.005 -3.978 -16.069 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.446 -5.580 -15.513 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -10.907 -4.836 -15.736 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -10.307 -3.415 -16.568 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.332 -3.939 -18.573 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.790 -5.296 -19.566 1.00 0.00 H new ATOM 49 N GLU A 4 -10.668 -2.283 -14.030 1.00 0.00 N ATOM 50 CA GLU A 4 -11.225 -0.932 -13.911 1.00 0.00 C ATOM 51 C GLU A 4 -11.022 -0.374 -12.489 1.00 0.00 C ATOM 52 O GLU A 4 -10.449 0.702 -12.325 1.00 0.00 O ATOM 53 CB GLU A 4 -12.715 -0.958 -14.287 1.00 0.00 C ATOM 54 CG GLU A 4 -13.169 0.430 -14.756 1.00 0.00 C ATOM 55 CD GLU A 4 -14.662 0.691 -14.472 1.00 0.00 C ATOM 56 OE1 GLU A 4 -15.052 0.788 -13.282 1.00 0.00 O ATOM 57 OE2 GLU A 4 -15.456 0.828 -15.435 1.00 0.00 O ATOM 0 H GLU A 4 -11.378 -3.015 -14.066 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.698 -0.269 -14.598 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.885 -1.690 -15.076 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.309 -1.272 -13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.569 1.192 -14.258 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.984 0.527 -15.826 1.00 0.00 H new ATOM 64 N LEU A 5 -11.413 -1.137 -11.456 1.00 0.00 N ATOM 65 CA LEU A 5 -11.228 -0.806 -10.031 1.00 0.00 C ATOM 66 C LEU A 5 -9.755 -0.598 -9.633 1.00 0.00 C ATOM 67 O LEU A 5 -9.475 0.122 -8.671 1.00 0.00 O ATOM 68 CB LEU A 5 -11.844 -1.917 -9.152 1.00 0.00 C ATOM 69 CG LEU A 5 -13.267 -1.625 -8.633 1.00 0.00 C ATOM 70 CD1 LEU A 5 -14.322 -2.411 -9.413 1.00 0.00 C ATOM 71 CD2 LEU A 5 -13.386 -2.009 -7.156 1.00 0.00 C ATOM 0 H LEU A 5 -11.883 -2.032 -11.593 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.736 0.144 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.866 -2.843 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.190 -2.088 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.440 -0.557 -8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.312 -2.180 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.276 -2.135 -10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.130 -3.479 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.396 -1.797 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.177 -3.072 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.670 -1.432 -6.571 1.00 0.00 H new ATOM 83 N LEU A 6 -8.813 -1.185 -10.381 1.00 0.00 N ATOM 84 CA LEU A 6 -7.367 -1.009 -10.201 1.00 0.00 C ATOM 85 C LEU A 6 -6.954 0.479 -10.193 1.00 0.00 C ATOM 86 O LEU A 6 -6.001 0.854 -9.512 1.00 0.00 O ATOM 87 CB LEU A 6 -6.624 -1.861 -11.253 1.00 0.00 C ATOM 88 CG LEU A 6 -5.213 -2.317 -10.820 1.00 0.00 C ATOM 89 CD1 LEU A 6 -4.866 -3.655 -11.475 1.00 0.00 C ATOM 90 CD2 LEU A 6 -4.107 -1.337 -11.219 1.00 0.00 C ATOM 0 H LEU A 6 -9.043 -1.814 -11.151 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.075 -1.369 -9.215 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.224 -2.742 -11.480 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.540 -1.286 -12.176 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.253 -2.385 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.869 -3.966 -11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.593 -4.408 -11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.888 -3.546 -12.559 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.143 -1.720 -10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.095 -1.223 -12.303 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.294 -0.369 -10.755 1.00 0.00 H new ATOM 102 N GLU A 7 -7.722 1.346 -10.866 1.00 0.00 N ATOM 103 CA GLU A 7 -7.528 2.804 -10.878 1.00 0.00 C ATOM 104 C GLU A 7 -7.513 3.420 -9.460 1.00 0.00 C ATOM 105 O GLU A 7 -6.762 4.365 -9.202 1.00 0.00 O ATOM 106 CB GLU A 7 -8.606 3.468 -11.760 1.00 0.00 C ATOM 107 CG GLU A 7 -9.997 3.591 -11.101 1.00 0.00 C ATOM 108 CD GLU A 7 -11.119 3.992 -12.085 1.00 0.00 C ATOM 109 OE1 GLU A 7 -10.848 4.637 -13.128 1.00 0.00 O ATOM 110 OE2 GLU A 7 -12.308 3.719 -11.784 1.00 0.00 O ATOM 0 H GLU A 7 -8.516 1.046 -11.432 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.543 2.999 -11.302 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.263 4.464 -12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.706 2.894 -12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.255 2.638 -10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.946 4.330 -10.302 1.00 0.00 H new ATOM 117 N LEU A 8 -8.320 2.876 -8.539 1.00 0.00 N ATOM 118 CA LEU A 8 -8.387 3.259 -7.130 1.00 0.00 C ATOM 119 C LEU A 8 -7.456 2.416 -6.236 1.00 0.00 C ATOM 120 O LEU A 8 -6.928 2.913 -5.241 1.00 0.00 O ATOM 121 CB LEU A 8 -9.847 3.154 -6.652 1.00 0.00 C ATOM 122 CG LEU A 8 -10.198 4.274 -5.654 1.00 0.00 C ATOM 123 CD1 LEU A 8 -10.733 5.501 -6.396 1.00 0.00 C ATOM 124 CD2 LEU A 8 -11.256 3.804 -4.660 1.00 0.00 C ATOM 0 H LEU A 8 -8.970 2.125 -8.770 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.037 4.288 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.516 3.208 -7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.008 2.184 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.287 4.535 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.976 6.283 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.975 5.867 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.630 5.228 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.487 4.612 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.160 3.518 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.878 2.946 -4.105 1.00 0.00 H new ATOM 136 N ASP A 9 -7.218 1.147 -6.601 1.00 0.00 N ATOM 137 CA ASP A 9 -6.317 0.223 -5.892 1.00 0.00 C ATOM 138 C ASP A 9 -4.877 0.764 -5.788 1.00 0.00 C ATOM 139 O ASP A 9 -4.170 0.482 -4.820 1.00 0.00 O ATOM 140 CB ASP A 9 -6.340 -1.145 -6.578 1.00 0.00 C ATOM 141 CG ASP A 9 -5.692 -2.238 -5.710 1.00 0.00 C ATOM 142 OD1 ASP A 9 -6.323 -2.666 -4.713 1.00 0.00 O ATOM 143 OD2 ASP A 9 -4.572 -2.694 -6.041 1.00 0.00 O ATOM 0 H ASP A 9 -7.658 0.723 -7.418 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.681 0.123 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.371 -1.422 -6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.815 -1.081 -7.531 1.00 0.00 H new ATOM 148 N LYS A 10 -4.455 1.598 -6.750 1.00 0.00 N ATOM 149 CA LYS A 10 -3.150 2.289 -6.766 1.00 0.00 C ATOM 150 C LYS A 10 -2.934 3.114 -5.485 1.00 0.00 C ATOM 151 O LYS A 10 -1.865 3.055 -4.878 1.00 0.00 O ATOM 152 CB LYS A 10 -3.069 3.189 -8.018 1.00 0.00 C ATOM 153 CG LYS A 10 -1.879 2.863 -8.936 1.00 0.00 C ATOM 154 CD LYS A 10 -1.980 1.454 -9.552 1.00 0.00 C ATOM 155 CE LYS A 10 -1.374 1.376 -10.961 1.00 0.00 C ATOM 156 NZ LYS A 10 0.112 1.444 -10.959 1.00 0.00 N ATOM 0 H LYS A 10 -5.027 1.819 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.357 1.542 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.994 3.090 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.999 4.230 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.827 3.603 -9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.953 2.942 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.472 0.741 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.027 1.155 -9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.689 0.446 -11.435 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.769 2.192 -11.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.463 1.387 -11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.418 2.342 -10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.495 0.651 -10.406 1.00 0.00 H new ATOM 170 N TRP A 11 -3.960 3.849 -5.057 1.00 0.00 N ATOM 171 CA TRP A 11 -3.973 4.616 -3.804 1.00 0.00 C ATOM 172 C TRP A 11 -3.938 3.711 -2.558 1.00 0.00 C ATOM 173 O TRP A 11 -3.230 4.010 -1.594 1.00 0.00 O ATOM 174 CB TRP A 11 -5.189 5.564 -3.774 1.00 0.00 C ATOM 175 CG TRP A 11 -4.842 7.022 -3.749 1.00 0.00 C ATOM 176 CD1 TRP A 11 -4.205 7.650 -2.734 1.00 0.00 C ATOM 177 CD2 TRP A 11 -5.091 8.047 -4.763 1.00 0.00 C ATOM 178 NE1 TRP A 11 -4.037 8.986 -3.048 1.00 0.00 N ATOM 179 CE2 TRP A 11 -4.563 9.286 -4.286 1.00 0.00 C ATOM 180 CE3 TRP A 11 -5.706 8.063 -6.037 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -4.639 10.474 -5.030 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -5.789 9.251 -6.790 1.00 0.00 C ATOM 183 CH2 TRP A 11 -5.256 10.454 -6.291 1.00 0.00 C ATOM 0 H TRP A 11 -4.830 3.932 -5.583 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.061 5.212 -3.774 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.809 5.366 -4.648 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.792 5.332 -2.896 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.878 7.180 -1.819 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.581 9.665 -2.439 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.119 7.149 -6.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.228 11.392 -4.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.266 9.238 -7.759 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.321 11.359 -6.876 1.00 0.00 H new ATOM 194 N ALA A 12 -4.654 2.581 -2.578 1.00 0.00 N ATOM 195 CA ALA A 12 -4.623 1.583 -1.503 1.00 0.00 C ATOM 196 C ALA A 12 -3.246 0.893 -1.353 1.00 0.00 C ATOM 197 O ALA A 12 -2.826 0.591 -0.235 1.00 0.00 O ATOM 198 CB ALA A 12 -5.747 0.565 -1.737 1.00 0.00 C ATOM 0 H ALA A 12 -5.276 2.332 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.787 2.098 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.733 -0.182 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.709 1.078 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.599 0.074 -2.699 1.00 0.00 H new ATOM 204 N SER A 13 -2.502 0.704 -2.449 1.00 0.00 N ATOM 205 CA SER A 13 -1.134 0.158 -2.442 1.00 0.00 C ATOM 206 C SER A 13 -0.191 0.979 -1.547 1.00 0.00 C ATOM 207 O SER A 13 0.523 0.421 -0.709 1.00 0.00 O ATOM 208 CB SER A 13 -0.595 0.079 -3.874 1.00 0.00 C ATOM 209 OG SER A 13 0.628 -0.636 -3.906 1.00 0.00 O ATOM 0 H SER A 13 -2.838 0.930 -3.385 1.00 0.00 H new ATOM 0 HA SER A 13 -1.177 -0.847 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.326 -0.411 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.446 1.084 -4.268 1.00 0.00 H new ATOM 0 HG SER A 13 0.958 -0.679 -4.828 1.00 0.00 H new ATOM 215 N LEU A 14 -0.236 2.315 -1.664 1.00 0.00 N ATOM 216 CA LEU A 14 0.516 3.248 -0.818 1.00 0.00 C ATOM 217 C LEU A 14 0.142 3.118 0.669 1.00 0.00 C ATOM 218 O LEU A 14 1.033 3.085 1.519 1.00 0.00 O ATOM 219 CB LEU A 14 0.290 4.688 -1.328 1.00 0.00 C ATOM 220 CG LEU A 14 1.168 5.024 -2.549 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.504 6.091 -3.418 1.00 0.00 C ATOM 222 CD2 LEU A 14 2.538 5.542 -2.104 1.00 0.00 C ATOM 0 H LEU A 14 -0.809 2.785 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 14 1.575 2.999 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.760 4.816 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.505 5.393 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 14 1.291 4.107 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.142 6.312 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.461 5.725 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.357 6.998 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.142 5.773 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.409 6.443 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.040 4.779 -1.509 1.00 0.00 H new ATOM 234 N TRP A 15 -1.153 2.994 0.986 1.00 0.00 N ATOM 235 CA TRP A 15 -1.645 2.759 2.352 1.00 0.00 C ATOM 236 C TRP A 15 -1.052 1.483 2.968 1.00 0.00 C ATOM 237 O TRP A 15 -0.548 1.512 4.093 1.00 0.00 O ATOM 238 CB TRP A 15 -3.182 2.725 2.359 1.00 0.00 C ATOM 239 CG TRP A 15 -3.810 2.591 3.713 1.00 0.00 C ATOM 240 CD1 TRP A 15 -4.080 1.423 4.343 1.00 0.00 C ATOM 241 CD2 TRP A 15 -4.255 3.648 4.617 1.00 0.00 C ATOM 242 NE1 TRP A 15 -4.646 1.685 5.578 1.00 0.00 N ATOM 243 CE2 TRP A 15 -4.776 3.041 5.798 1.00 0.00 C ATOM 244 CE3 TRP A 15 -4.275 5.059 4.558 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -5.282 3.792 6.870 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -4.786 5.824 5.624 1.00 0.00 C ATOM 247 CH2 TRP A 15 -5.286 5.195 6.780 1.00 0.00 C ATOM 0 H TRP A 15 -1.899 3.055 0.293 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.311 3.587 2.977 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.552 3.638 1.893 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.514 1.893 1.738 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -3.884 0.439 3.943 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -4.931 0.966 6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.892 5.559 3.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.663 3.299 7.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.794 6.902 5.554 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.672 5.789 7.596 1.00 0.00 H new ATOM 258 N ASN A 16 -1.065 0.365 2.230 1.00 0.00 N ATOM 259 CA ASN A 16 -0.459 -0.897 2.672 1.00 0.00 C ATOM 260 C ASN A 16 1.067 -0.788 2.848 1.00 0.00 C ATOM 261 O ASN A 16 1.595 -1.225 3.874 1.00 0.00 O ATOM 262 CB ASN A 16 -0.826 -2.035 1.698 1.00 0.00 C ATOM 263 CG ASN A 16 -2.312 -2.359 1.633 1.00 0.00 C ATOM 264 OD1 ASN A 16 -2.903 -2.460 0.567 1.00 0.00 O ATOM 265 ND2 ASN A 16 -2.965 -2.580 2.754 1.00 0.00 N ATOM 0 H ASN A 16 -1.497 0.311 1.308 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.868 -1.128 3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.482 -1.766 0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.284 -2.934 1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.953 -2.832 2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.483 -2.499 3.649 1.00 0.00 H new ATOM 272 N TRP A 17 1.781 -0.186 1.888 1.00 0.00 N ATOM 273 CA TRP A 17 3.234 0.025 1.966 1.00 0.00 C ATOM 274 C TRP A 17 3.650 0.833 3.205 1.00 0.00 C ATOM 275 O TRP A 17 4.615 0.461 3.870 1.00 0.00 O ATOM 276 CB TRP A 17 3.748 0.694 0.684 1.00 0.00 C ATOM 277 CG TRP A 17 5.219 1.006 0.680 1.00 0.00 C ATOM 278 CD1 TRP A 17 6.216 0.093 0.761 1.00 0.00 C ATOM 279 CD2 TRP A 17 5.879 2.311 0.639 1.00 0.00 C ATOM 280 NE1 TRP A 17 7.439 0.737 0.747 1.00 0.00 N ATOM 281 CE2 TRP A 17 7.291 2.104 0.681 1.00 0.00 C ATOM 282 CE3 TRP A 17 5.431 3.651 0.577 1.00 0.00 C ATOM 283 CZ2 TRP A 17 8.211 3.163 0.654 1.00 0.00 C ATOM 284 CZ3 TRP A 17 6.347 4.723 0.548 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.732 4.483 0.586 1.00 0.00 C ATOM 0 H TRP A 17 1.364 0.171 1.028 1.00 0.00 H new ATOM 0 HA TRP A 17 3.694 -0.958 2.065 1.00 0.00 H new ATOM 0 HB2 TRP A 17 3.527 0.043 -0.162 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.194 1.620 0.527 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.077 -0.976 0.827 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.339 0.259 0.781 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.371 3.857 0.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.273 2.967 0.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.981 5.738 0.496 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.426 5.310 0.563 1.00 0.00 H new ATOM 296 N PHE A 18 2.892 1.875 3.569 1.00 0.00 N ATOM 297 CA PHE A 18 3.166 2.740 4.726 1.00 0.00 C ATOM 298 C PHE A 18 3.349 1.967 6.049 1.00 0.00 C ATOM 299 O PHE A 18 4.188 2.329 6.881 1.00 0.00 O ATOM 300 CB PHE A 18 2.045 3.783 4.845 1.00 0.00 C ATOM 301 CG PHE A 18 2.456 5.042 5.581 1.00 0.00 C ATOM 302 CD1 PHE A 18 3.118 6.068 4.877 1.00 0.00 C ATOM 303 CD2 PHE A 18 2.182 5.200 6.952 1.00 0.00 C ATOM 304 CE1 PHE A 18 3.501 7.247 5.540 1.00 0.00 C ATOM 305 CE2 PHE A 18 2.565 6.381 7.616 1.00 0.00 C ATOM 306 CZ PHE A 18 3.224 7.404 6.910 1.00 0.00 C ATOM 0 H PHE A 18 2.053 2.147 3.057 1.00 0.00 H new ATOM 0 HA PHE A 18 4.122 3.232 4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.705 4.053 3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.196 3.333 5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.332 5.948 3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.678 4.415 7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.008 8.032 4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.353 6.502 8.668 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.517 8.310 7.420 1.00 0.00 H new ATOM 316 N ASN A 19 2.601 0.870 6.229 1.00 0.00 N ATOM 317 CA ASN A 19 2.729 -0.034 7.377 1.00 0.00 C ATOM 318 C ASN A 19 4.106 -0.721 7.403 1.00 0.00 C ATOM 319 O ASN A 19 4.763 -0.762 8.444 1.00 0.00 O ATOM 320 CB ASN A 19 1.599 -1.083 7.351 1.00 0.00 C ATOM 321 CG ASN A 19 0.197 -0.492 7.355 1.00 0.00 C ATOM 322 OD1 ASN A 19 -0.087 0.526 7.971 1.00 0.00 O ATOM 323 ND2 ASN A 19 -0.735 -1.133 6.686 1.00 0.00 N ATOM 0 H ASN A 19 1.878 0.582 5.569 1.00 0.00 H new ATOM 0 HA ASN A 19 2.642 0.559 8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.716 -1.705 6.463 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.707 -1.738 8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.692 -0.781 6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.501 -1.982 6.172 1.00 0.00 H new ATOM 330 N ILE A 20 4.567 -1.228 6.253 1.00 0.00 N ATOM 331 CA ILE A 20 5.894 -1.841 6.078 1.00 0.00 C ATOM 332 C ILE A 20 7.015 -0.824 6.327 1.00 0.00 C ATOM 333 O ILE A 20 7.987 -1.157 7.006 1.00 0.00 O ATOM 334 CB ILE A 20 6.032 -2.504 4.688 1.00 0.00 C ATOM 335 CG1 ILE A 20 4.899 -3.515 4.394 1.00 0.00 C ATOM 336 CG2 ILE A 20 7.403 -3.187 4.531 1.00 0.00 C ATOM 337 CD1 ILE A 20 4.743 -4.657 5.411 1.00 0.00 C ATOM 0 H ILE A 20 4.015 -1.224 5.395 1.00 0.00 H new ATOM 0 HA ILE A 20 5.992 -2.628 6.825 1.00 0.00 H new ATOM 0 HB ILE A 20 5.949 -1.699 3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.956 -2.970 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.072 -3.951 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.471 -3.644 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.194 -2.445 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.516 -3.956 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.921 -5.305 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.665 -5.236 5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.532 -4.241 6.396 1.00 0.00 H new ATOM 349 N THR A 21 6.876 0.424 5.861 1.00 0.00 N ATOM 350 CA THR A 21 7.854 1.501 6.118 1.00 0.00 C ATOM 351 C THR A 21 8.065 1.732 7.619 1.00 0.00 C ATOM 352 O THR A 21 9.192 1.948 8.061 1.00 0.00 O ATOM 353 CB THR A 21 7.467 2.839 5.454 1.00 0.00 C ATOM 354 OG1 THR A 21 6.646 2.667 4.322 1.00 0.00 O ATOM 355 CG2 THR A 21 8.710 3.573 4.954 1.00 0.00 C ATOM 0 H THR A 21 6.082 0.721 5.293 1.00 0.00 H new ATOM 0 HA THR A 21 8.784 1.154 5.668 1.00 0.00 H new ATOM 0 HB THR A 21 6.937 3.399 6.225 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.428 3.543 3.940 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.415 4.514 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.375 3.776 5.793 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.228 2.954 4.222 1.00 0.00 H new ATOM 363 N ASN A 22 6.991 1.662 8.418 1.00 0.00 N ATOM 364 CA ASN A 22 7.053 1.759 9.882 1.00 0.00 C ATOM 365 C ASN A 22 7.627 0.474 10.512 1.00 0.00 C ATOM 366 O ASN A 22 8.483 0.557 11.393 1.00 0.00 O ATOM 367 CB ASN A 22 5.658 2.097 10.446 1.00 0.00 C ATOM 368 CG ASN A 22 5.437 3.597 10.579 1.00 0.00 C ATOM 369 OD1 ASN A 22 5.216 4.121 11.662 1.00 0.00 O ATOM 370 ND2 ASN A 22 5.503 4.342 9.499 1.00 0.00 N ATOM 0 H ASN A 22 6.044 1.535 8.061 1.00 0.00 H new ATOM 0 HA ASN A 22 7.735 2.567 10.146 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.893 1.676 9.794 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.539 1.626 11.422 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.370 5.351 9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.687 3.911 8.593 1.00 0.00 H new ATOM 377 N TRP A 23 7.208 -0.713 10.054 1.00 0.00 N ATOM 378 CA TRP A 23 7.716 -2.002 10.551 1.00 0.00 C ATOM 379 C TRP A 23 9.222 -2.197 10.314 1.00 0.00 C ATOM 380 O TRP A 23 9.890 -2.834 11.128 1.00 0.00 O ATOM 381 CB TRP A 23 6.923 -3.160 9.931 1.00 0.00 C ATOM 382 CG TRP A 23 7.160 -4.515 10.543 1.00 0.00 C ATOM 383 CD1 TRP A 23 7.185 -4.784 11.870 1.00 0.00 C ATOM 384 CD2 TRP A 23 7.394 -5.797 9.876 1.00 0.00 C ATOM 385 NE1 TRP A 23 7.395 -6.134 12.070 1.00 0.00 N ATOM 386 CE2 TRP A 23 7.511 -6.810 10.876 1.00 0.00 C ATOM 387 CE3 TRP A 23 7.514 -6.214 8.530 1.00 0.00 C ATOM 388 CZ2 TRP A 23 7.709 -8.164 10.563 1.00 0.00 C ATOM 389 CZ3 TRP A 23 7.732 -7.568 8.204 1.00 0.00 C ATOM 390 CH2 TRP A 23 7.826 -8.543 9.215 1.00 0.00 C ATOM 0 H TRP A 23 6.503 -0.808 9.324 1.00 0.00 H new ATOM 0 HA TRP A 23 7.574 -1.995 11.632 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.860 -2.929 10.005 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.164 -3.214 8.869 1.00 0.00 H new ATOM 0 HD1 TRP A 23 7.059 -4.052 12.654 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.457 -6.575 12.988 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.437 -5.483 7.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.771 -8.904 11.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.828 -7.860 7.169 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.987 -9.579 8.955 1.00 0.00 H new ATOM 401 N LEU A 24 9.782 -1.590 9.260 1.00 0.00 N ATOM 402 CA LEU A 24 11.216 -1.609 8.942 1.00 0.00 C ATOM 403 C LEU A 24 12.091 -1.230 10.152 1.00 0.00 C ATOM 404 O LEU A 24 13.090 -1.896 10.421 1.00 0.00 O ATOM 405 CB LEU A 24 11.499 -0.673 7.743 1.00 0.00 C ATOM 406 CG LEU A 24 12.434 -1.310 6.693 1.00 0.00 C ATOM 407 CD1 LEU A 24 11.625 -1.810 5.493 1.00 0.00 C ATOM 408 CD2 LEU A 24 13.478 -0.314 6.188 1.00 0.00 C ATOM 0 H LEU A 24 9.234 -1.056 8.585 1.00 0.00 H new ATOM 0 HA LEU A 24 11.483 -2.631 8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.556 -0.405 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.947 0.252 8.108 1.00 0.00 H new ATOM 0 HG LEU A 24 12.942 -2.141 7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.298 -2.257 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.904 -2.557 5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.096 -0.973 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.117 -0.799 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.976 0.538 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.086 0.031 7.024 1.00 0.00 H new ATOM 420 N TRP A 25 11.680 -0.204 10.908 1.00 0.00 N ATOM 421 CA TRP A 25 12.326 0.268 12.141 1.00 0.00 C ATOM 422 C TRP A 25 12.371 -0.789 13.257 1.00 0.00 C ATOM 423 O TRP A 25 13.300 -0.789 14.062 1.00 0.00 O ATOM 424 CB TRP A 25 11.611 1.521 12.659 1.00 0.00 C ATOM 425 CG TRP A 25 11.709 2.731 11.781 1.00 0.00 C ATOM 426 CD1 TRP A 25 10.878 3.031 10.758 1.00 0.00 C ATOM 427 CD2 TRP A 25 12.682 3.819 11.841 1.00 0.00 C ATOM 428 NE1 TRP A 25 11.265 4.226 10.181 1.00 0.00 N ATOM 429 CE2 TRP A 25 12.368 4.759 10.813 1.00 0.00 C ATOM 430 CE3 TRP A 25 13.795 4.112 12.662 1.00 0.00 C ATOM 431 CZ2 TRP A 25 13.112 5.930 10.613 1.00 0.00 C ATOM 432 CZ3 TRP A 25 14.550 5.285 12.469 1.00 0.00 C ATOM 433 CH2 TRP A 25 14.212 6.194 11.451 1.00 0.00 C ATOM 0 H TRP A 25 10.854 0.343 10.668 1.00 0.00 H new ATOM 0 HA TRP A 25 13.359 0.493 11.876 1.00 0.00 H new ATOM 0 HB2 TRP A 25 10.557 1.283 12.803 1.00 0.00 H new ATOM 0 HB3 TRP A 25 12.018 1.771 13.639 1.00 0.00 H new ATOM 0 HD1 TRP A 25 10.040 2.429 10.440 1.00 0.00 H new ATOM 0 HE1 TRP A 25 10.793 4.659 9.387 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.070 3.426 13.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 12.845 6.620 9.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 15.396 5.488 13.109 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.795 7.093 11.312 1.00 0.00 H new ATOM 444 N TYR A 26 11.369 -1.671 13.330 1.00 0.00 N ATOM 445 CA TYR A 26 11.322 -2.792 14.270 1.00 0.00 C ATOM 446 C TYR A 26 12.307 -3.919 13.895 1.00 0.00 C ATOM 447 O TYR A 26 12.872 -4.572 14.777 1.00 0.00 O ATOM 448 CB TYR A 26 9.884 -3.326 14.357 1.00 0.00 C ATOM 449 CG TYR A 26 9.521 -3.770 15.758 1.00 0.00 C ATOM 450 CD1 TYR A 26 9.815 -5.074 16.195 1.00 0.00 C ATOM 451 CD2 TYR A 26 8.946 -2.839 16.644 1.00 0.00 C ATOM 452 CE1 TYR A 26 9.537 -5.449 17.525 1.00 0.00 C ATOM 453 CE2 TYR A 26 8.662 -3.210 17.973 1.00 0.00 C ATOM 454 CZ TYR A 26 8.964 -4.517 18.419 1.00 0.00 C ATOM 455 OH TYR A 26 8.718 -4.882 19.708 1.00 0.00 O ATOM 0 H TYR A 26 10.551 -1.623 12.723 1.00 0.00 H new ATOM 0 HA TYR A 26 11.635 -2.424 15.247 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.190 -2.550 14.033 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.768 -4.165 13.671 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.253 -5.787 15.512 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.722 -1.839 16.304 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.762 -6.450 17.861 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.214 -2.497 18.650 1.00 0.00 H new ATOM 0 HH TYR A 26 8.324 -4.127 20.192 1.00 0.00 H new ATOM 465 N ILE A 27 12.516 -4.151 12.590 1.00 0.00 N ATOM 466 CA ILE A 27 13.440 -5.168 12.061 1.00 0.00 C ATOM 467 C ILE A 27 14.912 -4.738 12.206 1.00 0.00 C ATOM 468 O ILE A 27 15.733 -5.508 12.718 1.00 0.00 O ATOM 469 CB ILE A 27 13.104 -5.485 10.580 1.00 0.00 C ATOM 470 CG1 ILE A 27 11.637 -5.914 10.362 1.00 0.00 C ATOM 471 CG2 ILE A 27 14.059 -6.553 10.005 1.00 0.00 C ATOM 472 CD1 ILE A 27 11.170 -7.087 11.232 1.00 0.00 C ATOM 0 H ILE A 27 12.038 -3.626 11.857 1.00 0.00 H new ATOM 0 HA ILE A 27 13.308 -6.073 12.654 1.00 0.00 H new ATOM 0 HB ILE A 27 13.245 -4.548 10.040 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.991 -5.058 10.556 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.504 -6.183 9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.798 -6.753 8.966 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.085 -6.190 10.058 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.969 -7.471 10.585 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.128 -7.314 11.007 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.786 -7.962 11.024 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.264 -6.819 12.284 1.00 0.00 H new ATOM 484 N LYS A 28 15.248 -3.526 11.744 1.00 0.00 N ATOM 485 CA LYS A 28 16.597 -2.921 11.803 1.00 0.00 C ATOM 486 C LYS A 28 17.062 -2.507 13.215 1.00 0.00 C ATOM 487 O LYS A 28 16.230 -2.386 14.143 1.00 0.00 O ATOM 488 CB LYS A 28 16.703 -1.804 10.749 1.00 0.00 C ATOM 489 CG LYS A 28 15.878 -0.548 11.073 1.00 0.00 C ATOM 490 CD LYS A 28 16.708 0.558 11.729 1.00 0.00 C ATOM 491 CE LYS A 28 17.584 1.283 10.696 1.00 0.00 C ATOM 492 NZ LYS A 28 18.174 2.529 11.252 1.00 0.00 N ATOM 493 OXT LYS A 28 18.289 -2.328 13.392 1.00 0.00 O ATOM 0 H LYS A 28 14.565 -2.912 11.301 1.00 0.00 H new ATOM 0 HA LYS A 28 17.317 -3.699 11.550 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.750 -1.519 10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.380 -2.198 9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.433 -0.165 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.057 -0.820 11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.045 1.274 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.339 0.129 12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.382 0.618 10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.986 1.524 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.758 2.990 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.412 3.174 11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.765 2.296 12.075 1.00 0.00 H new TER 507 LYS A 28