USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 261 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 GLY N :NH3+ -170:sc= 1.3 (180deg=1.13) USER MOD Single : A 7 ASN : amide:sc= 1.06 K(o=1.1,f=-0.72) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=-0.075) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 17 SER OG : rot 60:sc= 0.901 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.0255 (180deg=-0.17) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 34 THR OG1 : rot -157:sc= -1.12 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.693 1.557 -1.435 1.00 0.00 N ATOM 2 CA GLY A 1 -9.093 0.907 -0.246 1.00 0.00 C ATOM 3 C GLY A 1 -8.975 1.870 0.908 1.00 0.00 C ATOM 4 O GLY A 1 -9.749 2.818 0.988 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.916 0.835 -2.150 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.565 2.051 -1.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.019 2.242 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.704 0.054 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.107 0.519 -0.501 1.00 0.00 H new ATOM 10 N PHE A 2 -8.016 1.623 1.797 1.00 0.00 N ATOM 11 CA PHE A 2 -7.790 2.493 2.946 1.00 0.00 C ATOM 12 C PHE A 2 -7.490 3.907 2.467 1.00 0.00 C ATOM 13 O PHE A 2 -8.195 4.854 2.804 1.00 0.00 O ATOM 14 CB PHE A 2 -6.631 1.955 3.795 1.00 0.00 C ATOM 15 CG PHE A 2 -6.272 2.829 4.965 1.00 0.00 C ATOM 16 CD1 PHE A 2 -7.105 2.910 6.069 1.00 0.00 C ATOM 17 CD2 PHE A 2 -5.098 3.568 4.960 1.00 0.00 C ATOM 18 CE1 PHE A 2 -6.774 3.711 7.146 1.00 0.00 C ATOM 19 CE2 PHE A 2 -4.763 4.370 6.033 1.00 0.00 C ATOM 20 CZ PHE A 2 -5.603 4.443 7.128 1.00 0.00 C ATOM 0 H PHE A 2 -7.382 0.826 1.743 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.688 2.514 3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -6.894 0.963 4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.753 1.837 3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.023 2.341 6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.438 3.515 4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.431 3.764 8.001 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.846 4.940 6.017 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.344 5.071 7.968 1.00 0.00 H new ATOM 30 N GLY A 3 -6.444 4.031 1.664 1.00 0.00 N ATOM 31 CA GLY A 3 -6.079 5.319 1.124 1.00 0.00 C ATOM 32 C GLY A 3 -6.340 5.378 -0.365 1.00 0.00 C ATOM 33 O GLY A 3 -7.049 6.261 -0.848 1.00 0.00 O ATOM 0 H GLY A 3 -5.842 3.259 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.646 6.102 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -5.024 5.513 1.320 1.00 0.00 H new ATOM 37 N CYS A 4 -5.767 4.421 -1.081 1.00 0.00 N ATOM 38 CA CYS A 4 -5.909 4.310 -2.528 1.00 0.00 C ATOM 39 C CYS A 4 -7.375 4.341 -2.960 1.00 0.00 C ATOM 40 O CYS A 4 -8.236 3.722 -2.320 1.00 0.00 O ATOM 41 CB CYS A 4 -5.266 3.001 -2.966 1.00 0.00 C ATOM 42 SG CYS A 4 -4.118 2.329 -1.720 1.00 0.00 S ATOM 0 H CYS A 4 -5.184 3.692 -0.670 1.00 0.00 H new ATOM 0 HA CYS A 4 -5.419 5.162 -2.999 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -6.046 2.267 -3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.728 3.160 -3.901 1.00 0.00 H new ATOM 47 N PRO A 5 -7.683 5.038 -4.069 1.00 0.00 N ATOM 48 CA PRO A 5 -6.687 5.753 -4.873 1.00 0.00 C ATOM 49 C PRO A 5 -6.469 7.203 -4.430 1.00 0.00 C ATOM 50 O PRO A 5 -5.547 7.869 -4.897 1.00 0.00 O ATOM 51 CB PRO A 5 -7.311 5.713 -6.264 1.00 0.00 C ATOM 52 CG PRO A 5 -8.788 5.734 -6.027 1.00 0.00 C ATOM 53 CD PRO A 5 -9.029 5.152 -4.652 1.00 0.00 C ATOM 0 HA PRO A 5 -5.698 5.301 -4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.995 6.567 -6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.011 4.816 -6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.173 6.752 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.308 5.152 -6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.670 5.799 -4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.521 4.181 -4.711 1.00 0.00 H new ATOM 61 N PHE A 6 -7.320 7.684 -3.530 1.00 0.00 N ATOM 62 CA PHE A 6 -7.222 9.056 -3.033 1.00 0.00 C ATOM 63 C PHE A 6 -5.889 9.276 -2.325 1.00 0.00 C ATOM 64 O PHE A 6 -5.060 10.075 -2.759 1.00 0.00 O ATOM 65 CB PHE A 6 -8.379 9.363 -2.078 1.00 0.00 C ATOM 66 CG PHE A 6 -9.736 9.188 -2.697 1.00 0.00 C ATOM 67 CD1 PHE A 6 -10.252 10.150 -3.551 1.00 0.00 C ATOM 68 CD2 PHE A 6 -10.496 8.063 -2.425 1.00 0.00 C ATOM 69 CE1 PHE A 6 -11.501 9.992 -4.121 1.00 0.00 C ATOM 70 CE2 PHE A 6 -11.745 7.899 -2.991 1.00 0.00 C ATOM 71 CZ PHE A 6 -12.249 8.866 -3.841 1.00 0.00 C ATOM 0 H PHE A 6 -8.087 7.145 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 6 -7.281 9.732 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.301 8.714 -1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.282 10.388 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.671 11.033 -3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -10.107 7.304 -1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -11.892 10.749 -4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -12.327 7.017 -2.770 1.00 0.00 H new ATOM 0 HZ PHE A 6 -13.226 8.741 -4.285 1.00 0.00 H new ATOM 81 N ASN A 7 -5.680 8.541 -1.248 1.00 0.00 N ATOM 82 CA ASN A 7 -4.449 8.637 -0.480 1.00 0.00 C ATOM 83 C ASN A 7 -3.469 7.570 -0.945 1.00 0.00 C ATOM 84 O ASN A 7 -2.826 6.902 -0.137 1.00 0.00 O ATOM 85 CB ASN A 7 -4.732 8.476 1.016 1.00 0.00 C ATOM 86 CG ASN A 7 -4.671 9.788 1.774 1.00 0.00 C ATOM 87 OD1 ASN A 7 -4.936 10.854 1.219 1.00 0.00 O ATOM 88 ND2 ASN A 7 -4.317 9.718 3.046 1.00 0.00 N ATOM 0 H ASN A 7 -6.351 7.866 -0.882 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.012 9.622 -0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.719 8.032 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.010 7.781 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.255 10.568 3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.106 8.814 3.468 1.00 0.00 H new ATOM 95 N GLU A 8 -3.361 7.419 -2.261 1.00 0.00 N ATOM 96 CA GLU A 8 -2.465 6.435 -2.855 1.00 0.00 C ATOM 97 C GLU A 8 -1.029 6.724 -2.455 1.00 0.00 C ATOM 98 O GLU A 8 -0.283 5.827 -2.062 1.00 0.00 O ATOM 99 CB GLU A 8 -2.596 6.463 -4.381 1.00 0.00 C ATOM 100 CG GLU A 8 -1.957 5.276 -5.083 1.00 0.00 C ATOM 101 CD GLU A 8 -2.807 4.027 -4.994 1.00 0.00 C ATOM 102 OE1 GLU A 8 -3.964 4.057 -5.466 1.00 0.00 O ATOM 103 OE2 GLU A 8 -2.325 3.020 -4.439 1.00 0.00 O ATOM 0 H GLU A 8 -3.887 7.970 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.740 5.445 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.653 6.500 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.142 7.380 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.789 5.524 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.980 5.079 -4.642 1.00 0.00 H new ATOM 110 N ASN A 9 -0.657 7.995 -2.536 1.00 0.00 N ATOM 111 CA ASN A 9 0.686 8.424 -2.179 1.00 0.00 C ATOM 112 C ASN A 9 0.956 8.162 -0.704 1.00 0.00 C ATOM 113 O ASN A 9 2.070 7.819 -0.326 1.00 0.00 O ATOM 114 CB ASN A 9 0.877 9.911 -2.490 1.00 0.00 C ATOM 115 CG ASN A 9 1.072 10.173 -3.971 1.00 0.00 C ATOM 116 OD1 ASN A 9 2.122 9.876 -4.531 1.00 0.00 O ATOM 117 ND2 ASN A 9 0.062 10.743 -4.614 1.00 0.00 N ATOM 0 H ASN A 9 -1.270 8.748 -2.847 1.00 0.00 H new ATOM 0 HA ASN A 9 1.396 7.848 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.009 10.467 -2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.741 10.286 -1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.143 10.949 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.796 10.975 -4.113 1.00 0.00 H new ATOM 124 N GLU A 10 -0.080 8.299 0.115 1.00 0.00 N ATOM 125 CA GLU A 10 0.044 8.079 1.550 1.00 0.00 C ATOM 126 C GLU A 10 0.234 6.598 1.845 1.00 0.00 C ATOM 127 O GLU A 10 1.174 6.220 2.539 1.00 0.00 O ATOM 128 CB GLU A 10 -1.187 8.624 2.280 1.00 0.00 C ATOM 129 CG GLU A 10 -1.197 8.348 3.777 1.00 0.00 C ATOM 130 CD GLU A 10 -2.129 7.212 4.151 1.00 0.00 C ATOM 131 OE1 GLU A 10 -3.359 7.385 4.007 1.00 0.00 O ATOM 132 OE2 GLU A 10 -1.632 6.148 4.583 1.00 0.00 O ATOM 0 H GLU A 10 -1.017 8.562 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 10 0.922 8.615 1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.243 9.701 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.082 8.188 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.186 8.108 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.499 9.251 4.308 1.00 0.00 H new ATOM 139 N CYS A 11 -0.643 5.764 1.292 1.00 0.00 N ATOM 140 CA CYS A 11 -0.554 4.322 1.495 1.00 0.00 C ATOM 141 C CYS A 11 0.801 3.815 1.015 1.00 0.00 C ATOM 142 O CYS A 11 1.470 3.022 1.691 1.00 0.00 O ATOM 143 CB CYS A 11 -1.689 3.620 0.745 1.00 0.00 C ATOM 144 SG CYS A 11 -1.518 1.808 0.638 1.00 0.00 S ATOM 0 H CYS A 11 -1.420 6.061 0.702 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.651 4.100 2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.633 3.855 1.238 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.747 4.027 -0.265 1.00 0.00 H new ATOM 149 N HIS A 12 1.211 4.308 -0.146 1.00 0.00 N ATOM 150 CA HIS A 12 2.489 3.937 -0.731 1.00 0.00 C ATOM 151 C HIS A 12 3.635 4.387 0.173 1.00 0.00 C ATOM 152 O HIS A 12 4.543 3.607 0.473 1.00 0.00 O ATOM 153 CB HIS A 12 2.635 4.559 -2.122 1.00 0.00 C ATOM 154 CG HIS A 12 3.651 3.876 -2.985 1.00 0.00 C ATOM 155 ND1 HIS A 12 3.315 3.067 -4.050 1.00 0.00 N ATOM 156 CD2 HIS A 12 5.002 3.884 -2.936 1.00 0.00 C ATOM 157 CE1 HIS A 12 4.417 2.609 -4.617 1.00 0.00 C ATOM 158 NE2 HIS A 12 5.455 3.090 -3.959 1.00 0.00 N ATOM 0 H HIS A 12 0.671 4.970 -0.703 1.00 0.00 H new ATOM 0 HA HIS A 12 2.527 2.852 -0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.668 4.533 -2.625 1.00 0.00 H new ATOM 0 HB3 HIS A 12 2.910 5.608 -2.014 1.00 0.00 H new ATOM 0 HD2 HIS A 12 5.613 4.417 -2.223 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.461 1.953 -5.473 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.434 2.902 -4.176 1.00 0.00 H new ATOM 167 N ALA A 13 3.581 5.644 0.611 1.00 0.00 N ATOM 168 CA ALA A 13 4.608 6.197 1.487 1.00 0.00 C ATOM 169 C ALA A 13 4.648 5.429 2.798 1.00 0.00 C ATOM 170 O ALA A 13 5.721 5.159 3.334 1.00 0.00 O ATOM 171 CB ALA A 13 4.358 7.675 1.747 1.00 0.00 C ATOM 0 H ALA A 13 2.835 6.298 0.372 1.00 0.00 H new ATOM 0 HA ALA A 13 5.573 6.097 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.136 8.066 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.373 8.218 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.386 7.801 2.223 1.00 0.00 H new ATOM 177 N HIS A 14 3.468 5.081 3.305 1.00 0.00 N ATOM 178 CA HIS A 14 3.355 4.317 4.539 1.00 0.00 C ATOM 179 C HIS A 14 4.143 3.027 4.416 1.00 0.00 C ATOM 180 O HIS A 14 4.986 2.721 5.256 1.00 0.00 O ATOM 181 CB HIS A 14 1.892 3.991 4.846 1.00 0.00 C ATOM 182 CG HIS A 14 1.711 3.190 6.101 1.00 0.00 C ATOM 183 ND1 HIS A 14 2.255 3.557 7.317 1.00 0.00 N ATOM 184 CD2 HIS A 14 1.075 2.014 6.316 1.00 0.00 C ATOM 185 CE1 HIS A 14 1.966 2.637 8.220 1.00 0.00 C ATOM 186 NE2 HIS A 14 1.250 1.693 7.640 1.00 0.00 N ATOM 0 H HIS A 14 2.574 5.319 2.876 1.00 0.00 H new ATOM 0 HA HIS A 14 3.757 4.920 5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.331 4.921 4.933 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.467 3.440 4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.531 1.436 5.583 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.265 2.655 9.258 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.885 0.859 8.100 1.00 0.00 H new ATOM 195 N CYS A 15 3.848 2.275 3.365 1.00 0.00 N ATOM 196 CA CYS A 15 4.540 1.016 3.104 1.00 0.00 C ATOM 197 C CYS A 15 6.046 1.241 3.029 1.00 0.00 C ATOM 198 O CYS A 15 6.839 0.455 3.556 1.00 0.00 O ATOM 199 CB CYS A 15 4.033 0.381 1.807 1.00 0.00 C ATOM 200 SG CYS A 15 2.611 -0.735 2.027 1.00 0.00 S ATOM 0 H CYS A 15 3.134 2.513 2.677 1.00 0.00 H new ATOM 0 HA CYS A 15 4.330 0.333 3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.754 1.174 1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.849 -0.175 1.345 1.00 0.00 H new ATOM 205 N LEU A 16 6.425 2.341 2.406 1.00 0.00 N ATOM 206 CA LEU A 16 7.829 2.707 2.262 1.00 0.00 C ATOM 207 C LEU A 16 8.465 2.968 3.626 1.00 0.00 C ATOM 208 O LEU A 16 9.659 2.747 3.821 1.00 0.00 O ATOM 209 CB LEU A 16 7.961 3.949 1.378 1.00 0.00 C ATOM 210 CG LEU A 16 8.325 3.678 -0.086 1.00 0.00 C ATOM 211 CD1 LEU A 16 7.372 2.667 -0.698 1.00 0.00 C ATOM 212 CD2 LEU A 16 8.305 4.969 -0.888 1.00 0.00 C ATOM 0 H LEU A 16 5.775 3.006 1.986 1.00 0.00 H new ATOM 0 HA LEU A 16 8.353 1.875 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.018 4.495 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.720 4.602 1.809 1.00 0.00 H new ATOM 0 HG LEU A 16 9.333 3.265 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.648 2.489 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.428 1.731 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.354 3.054 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.566 4.757 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.308 5.407 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.027 5.669 -0.468 1.00 0.00 H new ATOM 224 N SER A 17 7.649 3.410 4.576 1.00 0.00 N ATOM 225 CA SER A 17 8.129 3.712 5.918 1.00 0.00 C ATOM 226 C SER A 17 8.381 2.438 6.725 1.00 0.00 C ATOM 227 O SER A 17 9.032 2.482 7.767 1.00 0.00 O ATOM 228 CB SER A 17 7.122 4.597 6.657 1.00 0.00 C ATOM 229 OG SER A 17 6.652 5.649 5.829 1.00 0.00 O ATOM 0 H SER A 17 6.650 3.567 4.441 1.00 0.00 H new ATOM 0 HA SER A 17 9.075 4.244 5.815 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.280 3.991 6.992 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.588 5.015 7.549 1.00 0.00 H new ATOM 0 HG SER A 17 6.214 5.272 5.038 1.00 0.00 H new ATOM 235 N ILE A 18 7.879 1.300 6.251 1.00 0.00 N ATOM 236 CA ILE A 18 8.073 0.050 6.973 1.00 0.00 C ATOM 237 C ILE A 18 9.171 -0.793 6.331 1.00 0.00 C ATOM 238 O ILE A 18 9.236 -2.005 6.533 1.00 0.00 O ATOM 239 CB ILE A 18 6.776 -0.790 7.091 1.00 0.00 C ATOM 240 CG1 ILE A 18 5.645 -0.197 6.248 1.00 0.00 C ATOM 241 CG2 ILE A 18 6.346 -0.885 8.548 1.00 0.00 C ATOM 242 CD1 ILE A 18 4.367 -1.010 6.281 1.00 0.00 C ATOM 0 H ILE A 18 7.345 1.219 5.386 1.00 0.00 H new ATOM 0 HA ILE A 18 8.374 0.334 7.982 1.00 0.00 H new ATOM 0 HB ILE A 18 6.989 -1.789 6.711 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.432 0.812 6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.982 -0.109 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.434 -1.477 8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.135 -1.361 9.130 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.161 0.116 8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.612 -0.527 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.563 -2.012 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.005 -1.077 7.307 1.00 0.00 H new ATOM 254 N GLY A 19 10.028 -0.150 5.550 1.00 0.00 N ATOM 255 CA GLY A 19 11.126 -0.854 4.910 1.00 0.00 C ATOM 256 C GLY A 19 10.722 -1.555 3.628 1.00 0.00 C ATOM 257 O GLY A 19 11.426 -2.445 3.150 1.00 0.00 O ATOM 0 H GLY A 19 9.984 0.849 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.925 -0.145 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.532 -1.589 5.605 1.00 0.00 H new ATOM 261 N ARG A 20 9.586 -1.171 3.071 1.00 0.00 N ATOM 262 CA ARG A 20 9.116 -1.767 1.832 1.00 0.00 C ATOM 263 C ARG A 20 9.329 -0.794 0.680 1.00 0.00 C ATOM 264 O ARG A 20 9.137 0.406 0.833 1.00 0.00 O ATOM 265 CB ARG A 20 7.646 -2.167 1.945 1.00 0.00 C ATOM 266 CG ARG A 20 7.422 -3.459 2.721 1.00 0.00 C ATOM 267 CD ARG A 20 7.234 -3.206 4.210 1.00 0.00 C ATOM 268 NE ARG A 20 6.537 -4.312 4.866 1.00 0.00 N ATOM 269 CZ ARG A 20 6.834 -4.784 6.076 1.00 0.00 C ATOM 270 NH1 ARG A 20 7.803 -4.230 6.795 1.00 0.00 N ATOM 271 NH2 ARG A 20 6.150 -5.808 6.569 1.00 0.00 N ATOM 0 H ARG A 20 8.974 -0.452 3.456 1.00 0.00 H new ATOM 0 HA ARG A 20 9.690 -2.673 1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.095 -1.361 2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.231 -2.278 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.544 -3.971 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.273 -4.124 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.207 -3.060 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.670 -2.285 4.354 1.00 0.00 H new ATOM 0 HE ARG A 20 5.769 -4.754 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.326 -3.438 6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.025 -4.597 7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.400 -6.231 6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.374 -6.173 7.495 1.00 0.00 H new ATOM 285 N LYS A 21 9.722 -1.318 -0.475 1.00 0.00 N ATOM 286 CA LYS A 21 9.996 -0.479 -1.642 1.00 0.00 C ATOM 287 C LYS A 21 8.717 -0.094 -2.374 1.00 0.00 C ATOM 288 O LYS A 21 8.670 0.907 -3.093 1.00 0.00 O ATOM 289 CB LYS A 21 10.960 -1.193 -2.593 1.00 0.00 C ATOM 290 CG LYS A 21 11.490 -0.303 -3.707 1.00 0.00 C ATOM 291 CD LYS A 21 12.556 -1.007 -4.529 1.00 0.00 C ATOM 292 CE LYS A 21 12.996 -0.159 -5.713 1.00 0.00 C ATOM 293 NZ LYS A 21 13.516 1.170 -5.287 1.00 0.00 N ATOM 0 H LYS A 21 9.859 -2.317 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 21 10.460 0.441 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.801 -1.582 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.452 -2.050 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.667 -0.004 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.905 0.609 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.417 -1.228 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.170 -1.961 -4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.769 -0.688 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.154 -0.018 -6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.959 1.646 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.731 1.752 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.222 1.042 -4.534 1.00 0.00 H new ATOM 307 N PHE A 22 7.683 -0.891 -2.195 1.00 0.00 N ATOM 308 CA PHE A 22 6.399 -0.633 -2.830 1.00 0.00 C ATOM 309 C PHE A 22 5.280 -0.915 -1.850 1.00 0.00 C ATOM 310 O PHE A 22 5.515 -1.467 -0.774 1.00 0.00 O ATOM 311 CB PHE A 22 6.196 -1.496 -4.081 1.00 0.00 C ATOM 312 CG PHE A 22 7.326 -1.439 -5.070 1.00 0.00 C ATOM 313 CD1 PHE A 22 7.477 -0.345 -5.907 1.00 0.00 C ATOM 314 CD2 PHE A 22 8.233 -2.482 -5.166 1.00 0.00 C ATOM 315 CE1 PHE A 22 8.512 -0.292 -6.820 1.00 0.00 C ATOM 316 CE2 PHE A 22 9.270 -2.435 -6.077 1.00 0.00 C ATOM 317 CZ PHE A 22 9.410 -1.338 -6.904 1.00 0.00 C ATOM 0 H PHE A 22 7.704 -1.728 -1.612 1.00 0.00 H new ATOM 0 HA PHE A 22 6.387 0.414 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.052 -2.532 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.279 -1.181 -4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.777 0.475 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.128 -3.342 -4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.619 0.566 -7.467 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.970 -3.255 -6.142 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.221 -1.298 -7.616 1.00 0.00 H new ATOM 327 N GLY A 23 4.071 -0.551 -2.233 1.00 0.00 N ATOM 328 CA GLY A 23 2.928 -0.780 -1.381 1.00 0.00 C ATOM 329 C GLY A 23 1.725 0.032 -1.790 1.00 0.00 C ATOM 330 O GLY A 23 1.859 1.188 -2.195 1.00 0.00 O ATOM 0 H GLY A 23 3.859 -0.099 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.671 -1.839 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.193 -0.537 -0.352 1.00 0.00 H new ATOM 334 N PHE A 24 0.561 -0.596 -1.706 1.00 0.00 N ATOM 335 CA PHE A 24 -0.709 0.032 -2.043 1.00 0.00 C ATOM 336 C PHE A 24 -1.841 -0.915 -1.674 1.00 0.00 C ATOM 337 O PHE A 24 -1.602 -2.091 -1.407 1.00 0.00 O ATOM 338 CB PHE A 24 -0.787 0.401 -3.531 1.00 0.00 C ATOM 339 CG PHE A 24 -0.609 -0.763 -4.471 1.00 0.00 C ATOM 340 CD1 PHE A 24 0.655 -1.141 -4.898 1.00 0.00 C ATOM 341 CD2 PHE A 24 -1.706 -1.474 -4.932 1.00 0.00 C ATOM 342 CE1 PHE A 24 0.821 -2.206 -5.762 1.00 0.00 C ATOM 343 CE2 PHE A 24 -1.546 -2.541 -5.797 1.00 0.00 C ATOM 344 CZ PHE A 24 -0.281 -2.907 -6.211 1.00 0.00 C ATOM 0 H PHE A 24 0.470 -1.565 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.797 0.960 -1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.753 0.866 -3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.023 1.148 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.520 -0.596 -4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.698 -1.191 -4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.811 -2.490 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.409 -3.087 -6.148 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.153 -3.741 -6.885 1.00 0.00 H new ATOM 354 N CYS A 25 -3.058 -0.405 -1.649 1.00 0.00 N ATOM 355 CA CYS A 25 -4.221 -1.213 -1.311 1.00 0.00 C ATOM 356 C CYS A 25 -4.381 -2.355 -2.302 1.00 0.00 C ATOM 357 O CYS A 25 -4.534 -2.126 -3.502 1.00 0.00 O ATOM 358 CB CYS A 25 -5.485 -0.352 -1.309 1.00 0.00 C ATOM 359 SG CYS A 25 -5.306 1.256 -0.469 1.00 0.00 S ATOM 0 H CYS A 25 -3.270 0.570 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.071 -1.627 -0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.791 -0.176 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.289 -0.911 -0.829 1.00 0.00 H new ATOM 364 N ALA A 26 -4.347 -3.580 -1.804 1.00 0.00 N ATOM 365 CA ALA A 26 -4.481 -4.750 -2.653 1.00 0.00 C ATOM 366 C ALA A 26 -5.341 -5.810 -1.974 1.00 0.00 C ATOM 367 O ALA A 26 -6.117 -5.502 -1.065 1.00 0.00 O ATOM 368 CB ALA A 26 -3.109 -5.307 -3.005 1.00 0.00 C ATOM 0 H ALA A 26 -4.227 -3.789 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.978 -4.455 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.225 -6.184 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.533 -4.548 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.585 -5.589 -2.091 1.00 0.00 H new ATOM 374 N GLY A 27 -5.212 -7.048 -2.425 1.00 0.00 N ATOM 375 CA GLY A 27 -5.989 -8.127 -1.856 1.00 0.00 C ATOM 376 C GLY A 27 -7.313 -8.296 -2.572 1.00 0.00 C ATOM 377 O GLY A 27 -7.639 -7.506 -3.456 1.00 0.00 O ATOM 0 H GLY A 27 -4.581 -7.325 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.421 -9.056 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.168 -7.929 -0.799 1.00 0.00 H new ATOM 381 N PRO A 28 -8.105 -9.314 -2.202 1.00 0.00 N ATOM 382 CA PRO A 28 -9.408 -9.575 -2.829 1.00 0.00 C ATOM 383 C PRO A 28 -10.428 -8.478 -2.534 1.00 0.00 C ATOM 384 O PRO A 28 -11.441 -8.360 -3.217 1.00 0.00 O ATOM 385 CB PRO A 28 -9.859 -10.903 -2.203 1.00 0.00 C ATOM 386 CG PRO A 28 -8.643 -11.473 -1.553 1.00 0.00 C ATOM 387 CD PRO A 28 -7.798 -10.299 -1.157 1.00 0.00 C ATOM 0 HA PRO A 28 -9.329 -9.608 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.654 -10.743 -1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.252 -11.580 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.910 -12.073 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.105 -12.128 -2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.057 -9.930 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.738 -10.551 -1.137 1.00 0.00 H new ATOM 395 N LEU A 29 -10.154 -7.682 -1.509 1.00 0.00 N ATOM 396 CA LEU A 29 -11.051 -6.599 -1.125 1.00 0.00 C ATOM 397 C LEU A 29 -10.543 -5.258 -1.642 1.00 0.00 C ATOM 398 O LEU A 29 -11.285 -4.277 -1.678 1.00 0.00 O ATOM 399 CB LEU A 29 -11.211 -6.540 0.400 1.00 0.00 C ATOM 400 CG LEU A 29 -12.134 -7.602 1.017 1.00 0.00 C ATOM 401 CD1 LEU A 29 -13.402 -7.761 0.192 1.00 0.00 C ATOM 402 CD2 LEU A 29 -11.412 -8.934 1.158 1.00 0.00 C ATOM 0 H LEU A 29 -9.319 -7.765 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.023 -6.801 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -10.225 -6.635 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.592 -5.555 0.669 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.417 -7.264 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.040 -8.518 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.935 -6.811 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.141 -8.068 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.087 -9.669 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.090 -9.279 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.542 -8.810 1.803 1.00 0.00 H new ATOM 414 N ARG A 30 -9.265 -5.227 -2.033 1.00 0.00 N ATOM 415 CA ARG A 30 -8.626 -4.014 -2.548 1.00 0.00 C ATOM 416 C ARG A 30 -8.742 -2.864 -1.540 1.00 0.00 C ATOM 417 O ARG A 30 -8.782 -1.687 -1.910 1.00 0.00 O ATOM 418 CB ARG A 30 -9.252 -3.617 -3.891 1.00 0.00 C ATOM 419 CG ARG A 30 -8.363 -2.730 -4.746 1.00 0.00 C ATOM 420 CD ARG A 30 -7.207 -3.507 -5.355 1.00 0.00 C ATOM 421 NE ARG A 30 -6.042 -2.651 -5.579 1.00 0.00 N ATOM 422 CZ ARG A 30 -5.708 -2.115 -6.752 1.00 0.00 C ATOM 423 NH1 ARG A 30 -6.422 -2.385 -7.841 1.00 0.00 N ATOM 424 NH2 ARG A 30 -4.650 -1.311 -6.831 1.00 0.00 N ATOM 0 H ARG A 30 -8.648 -6.038 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.567 -4.222 -2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.492 -4.521 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.193 -3.099 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.957 -2.279 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.972 -1.914 -4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.933 -4.330 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.522 -3.948 -6.301 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.442 -2.450 -4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.230 -3.005 -7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.162 -1.972 -8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.100 -1.108 -5.996 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.389 -0.898 -7.726 1.00 0.00 H new ATOM 438 N ALA A 31 -8.772 -3.213 -0.258 1.00 0.00 N ATOM 439 CA ALA A 31 -8.908 -2.224 0.799 1.00 0.00 C ATOM 440 C ALA A 31 -7.610 -2.042 1.576 1.00 0.00 C ATOM 441 O ALA A 31 -7.003 -0.970 1.538 1.00 0.00 O ATOM 442 CB ALA A 31 -10.038 -2.613 1.740 1.00 0.00 C ATOM 0 H ALA A 31 -8.704 -4.176 0.072 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.145 -1.269 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.130 -1.865 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.973 -2.670 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.822 -3.584 2.186 1.00 0.00 H new ATOM 448 N THR A 32 -7.198 -3.086 2.276 1.00 0.00 N ATOM 449 CA THR A 32 -5.983 -3.057 3.076 1.00 0.00 C ATOM 450 C THR A 32 -4.744 -2.828 2.213 1.00 0.00 C ATOM 451 O THR A 32 -4.635 -3.364 1.107 1.00 0.00 O ATOM 452 CB THR A 32 -5.830 -4.379 3.844 1.00 0.00 C ATOM 453 OG1 THR A 32 -7.107 -5.031 3.929 1.00 0.00 O ATOM 454 CG2 THR A 32 -5.282 -4.137 5.244 1.00 0.00 C ATOM 0 H THR A 32 -7.695 -3.976 2.306 1.00 0.00 H new ATOM 0 HA THR A 32 -6.069 -2.226 3.776 1.00 0.00 H new ATOM 0 HB THR A 32 -5.125 -5.013 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.011 -5.875 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.184 -5.089 5.766 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.305 -3.658 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.965 -3.490 5.795 1.00 0.00 H new ATOM 462 N CYS A 33 -3.823 -2.013 2.711 1.00 0.00 N ATOM 463 CA CYS A 33 -2.596 -1.734 1.985 1.00 0.00 C ATOM 464 C CYS A 33 -1.658 -2.920 2.061 1.00 0.00 C ATOM 465 O CYS A 33 -1.381 -3.447 3.138 1.00 0.00 O ATOM 466 CB CYS A 33 -1.881 -0.502 2.528 1.00 0.00 C ATOM 467 SG CYS A 33 -2.689 1.082 2.130 1.00 0.00 S ATOM 0 H CYS A 33 -3.903 -1.537 3.610 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.875 -1.543 0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.802 -0.592 3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.865 -0.485 2.135 1.00 0.00 H new ATOM 472 N THR A 34 -1.198 -3.335 0.909 1.00 0.00 N ATOM 473 CA THR A 34 -0.271 -4.441 0.797 1.00 0.00 C ATOM 474 C THR A 34 1.046 -3.925 0.243 1.00 0.00 C ATOM 475 O THR A 34 1.085 -3.324 -0.834 1.00 0.00 O ATOM 476 CB THR A 34 -0.828 -5.542 -0.118 1.00 0.00 C ATOM 477 OG1 THR A 34 -2.243 -5.659 0.081 1.00 0.00 O ATOM 478 CG2 THR A 34 -0.159 -6.880 0.167 1.00 0.00 C ATOM 0 H THR A 34 -1.455 -2.916 0.015 1.00 0.00 H new ATOM 0 HA THR A 34 -0.119 -4.874 1.786 1.00 0.00 H new ATOM 0 HB THR A 34 -0.620 -5.269 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.539 -6.551 -0.195 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.572 -7.642 -0.495 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.914 -6.794 -0.004 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.340 -7.164 1.204 1.00 0.00 H new ATOM 486 N CYS A 35 2.113 -4.130 0.984 1.00 0.00 N ATOM 487 CA CYS A 35 3.418 -3.655 0.569 1.00 0.00 C ATOM 488 C CYS A 35 4.132 -4.681 -0.307 1.00 0.00 C ATOM 489 O CYS A 35 3.689 -5.823 -0.423 1.00 0.00 O ATOM 490 CB CYS A 35 4.259 -3.304 1.791 1.00 0.00 C ATOM 491 SG CYS A 35 3.384 -2.311 3.051 1.00 0.00 S ATOM 0 H CYS A 35 2.104 -4.622 1.877 1.00 0.00 H new ATOM 0 HA CYS A 35 3.279 -2.756 -0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.610 -4.227 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.142 -2.756 1.463 1.00 0.00 H new ATOM 496 N GLY A 36 5.234 -4.258 -0.924 1.00 0.00 N ATOM 497 CA GLY A 36 6.005 -5.130 -1.803 1.00 0.00 C ATOM 498 C GLY A 36 6.418 -6.437 -1.152 1.00 0.00 C ATOM 499 O GLY A 36 6.444 -7.480 -1.799 1.00 0.00 O ATOM 0 H GLY A 36 5.612 -3.315 -0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.415 -5.348 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.898 -4.600 -2.134 1.00 0.00 H new ATOM 503 N LYS A 37 6.750 -6.378 0.126 1.00 0.00 N ATOM 504 CA LYS A 37 7.159 -7.564 0.861 1.00 0.00 C ATOM 505 C LYS A 37 6.280 -7.740 2.088 1.00 0.00 C ATOM 506 O LYS A 37 6.779 -7.995 3.185 1.00 0.00 O ATOM 507 CB LYS A 37 8.632 -7.466 1.271 1.00 0.00 C ATOM 508 CG LYS A 37 9.603 -7.697 0.125 1.00 0.00 C ATOM 509 CD LYS A 37 11.040 -7.765 0.618 1.00 0.00 C ATOM 510 CE LYS A 37 11.998 -8.129 -0.503 1.00 0.00 C ATOM 511 NZ LYS A 37 13.406 -8.217 -0.023 1.00 0.00 N ATOM 0 H LYS A 37 6.745 -5.520 0.678 1.00 0.00 H new ATOM 0 HA LYS A 37 7.043 -8.433 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.816 -6.480 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.831 -8.196 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.349 -8.625 -0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.505 -6.893 -0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.325 -6.803 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.117 -8.502 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.702 -9.084 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.930 -7.383 -1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.029 -8.467 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.697 -7.299 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.476 -8.946 0.715 1.00 0.00 H new ATOM 525 N GLN A 38 4.973 -7.591 1.881 1.00 0.00 N ATOM 526 CA GLN A 38 3.987 -7.713 2.950 1.00 0.00 C ATOM 527 C GLN A 38 4.284 -6.694 4.044 1.00 0.00 C ATOM 528 O GLN A 38 4.545 -5.525 3.695 1.00 0.00 O ATOM 529 CB GLN A 38 3.974 -9.137 3.520 1.00 0.00 C ATOM 530 CG GLN A 38 2.634 -9.548 4.112 1.00 0.00 C ATOM 531 CD GLN A 38 1.535 -9.631 3.071 1.00 0.00 C ATOM 532 OE1 GLN A 38 0.808 -8.670 2.835 1.00 0.00 O ATOM 533 NE2 GLN A 38 1.410 -10.786 2.434 1.00 0.00 N ATOM 534 OXT GLN A 38 4.281 -7.062 5.236 1.00 0.00 O ATOM 0 H GLN A 38 4.569 -7.382 0.968 1.00 0.00 H new ATOM 0 HA GLN A 38 2.997 -7.511 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.242 -9.838 2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.741 -9.217 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.739 -10.516 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.346 -8.832 4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.033 -11.562 2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.691 -10.899 1.720 1.00 0.00 H new TER 543 GLN A 38