USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 250 hydrogens (6 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 NoAdj-H: A 34 HSL H2 : A 34 HSL N : A 33 VAL C :(H bumps) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= -2.01! C(o=-2!,f=-3.7!) USER MOD Single : A 8 ASN : amide:sc= -0.0702 K(o=-0.07,f=-2!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.921 K(o=0.92,f=-0.075) USER MOD Single : A 16 ASN : amide:sc= -2.78 K(o=-2.8,f=-7.6!) USER MOD Single : A 23 GLN : amide:sc= 1.18 K(o=1.2,f=-8.1!) USER MOD Single : A 26 TYR OH : rot -71:sc= 0.0435 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= -0.0229 (180deg=-0.0994) USER MOD Single : A 32 GLN : amide:sc= -2.48! X(o=-2.5!,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.545 3.592 -12.941 1.00 2.15 N ATOM 2 CA ALA A 1 0.564 2.738 -12.238 1.00 1.72 C ATOM 3 C ALA A 1 0.809 2.767 -10.759 1.00 1.26 C ATOM 4 O ALA A 1 1.892 2.580 -10.204 1.00 1.25 O ATOM 5 CB ALA A 1 0.633 1.309 -12.755 1.00 2.03 C ATOM 0 H1 ALA A 1 1.362 3.561 -13.964 1.00 2.15 H new ATOM 0 H2 ALA A 1 1.458 4.572 -12.603 1.00 2.15 H new ATOM 0 H3 ALA A 1 2.507 3.245 -12.751 1.00 2.15 H new ATOM 0 HA ALA A 1 -0.434 3.130 -12.434 1.00 1.72 H new ATOM 0 HB1 ALA A 1 -0.096 0.695 -12.226 1.00 2.03 H new ATOM 0 HB2 ALA A 1 0.411 1.297 -13.822 1.00 2.03 H new ATOM 0 HB3 ALA A 1 1.633 0.909 -12.588 1.00 2.03 H new ATOM 13 N CYS A 2 -0.277 3.034 -10.044 1.00 1.05 N ATOM 14 CA CYS A 2 -0.244 3.072 -8.588 1.00 0.76 C ATOM 15 C CYS A 2 -0.411 1.674 -8.061 1.00 0.64 C ATOM 16 O CYS A 2 -0.904 0.725 -8.677 1.00 0.82 O ATOM 17 CB CYS A 2 -1.364 3.968 -8.042 1.00 0.94 C ATOM 18 SG CYS A 2 -3.042 3.281 -8.252 1.00 0.92 S ATOM 0 H CYS A 2 -1.193 3.228 -10.450 1.00 1.05 H new ATOM 0 HA CYS A 2 0.712 3.484 -8.264 1.00 0.76 H new ATOM 0 HB2 CYS A 2 -1.187 4.146 -6.981 1.00 0.94 H new ATOM 0 HB3 CYS A 2 -1.315 4.936 -8.540 1.00 0.94 H new ATOM 23 N GLY A 3 0.061 1.509 -6.829 1.00 0.51 N ATOM 24 CA GLY A 3 -0.171 0.278 -6.099 1.00 0.60 C ATOM 25 C GLY A 3 -1.646 0.004 -5.940 1.00 0.51 C ATOM 26 O GLY A 3 -2.401 0.877 -5.494 1.00 0.55 O ATOM 0 H GLY A 3 0.602 2.210 -6.322 1.00 0.51 H new ATOM 0 HA2 GLY A 3 0.301 -0.553 -6.624 1.00 0.60 H new ATOM 0 HA3 GLY A 3 0.297 0.342 -5.117 1.00 0.60 H new ATOM 30 N ILE A 4 -2.048 -1.197 -6.329 1.00 0.46 N ATOM 31 CA ILE A 4 -3.449 -1.585 -6.337 1.00 0.44 C ATOM 32 C ILE A 4 -3.817 -2.302 -5.060 1.00 0.39 C ATOM 33 O ILE A 4 -3.054 -2.516 -4.113 1.00 0.41 O ATOM 34 CB ILE A 4 -3.771 -2.465 -7.562 1.00 0.46 C ATOM 35 CG1 ILE A 4 -2.691 -3.536 -7.743 1.00 0.45 C ATOM 36 CG2 ILE A 4 -3.897 -1.602 -8.812 1.00 0.66 C ATOM 37 CD1 ILE A 4 -2.891 -4.411 -8.962 1.00 0.75 C ATOM 0 H ILE A 4 -1.412 -1.928 -6.647 1.00 0.46 H new ATOM 0 HA ILE A 4 -4.046 -0.676 -6.403 1.00 0.44 H new ATOM 0 HB ILE A 4 -4.724 -2.967 -7.397 1.00 0.46 H new ATOM 0 HG12 ILE A 4 -1.719 -3.049 -7.814 1.00 0.45 H new ATOM 0 HG13 ILE A 4 -2.667 -4.167 -6.855 1.00 0.45 H new ATOM 0 HG21 ILE A 4 -4.124 -2.235 -9.670 1.00 0.66 H new ATOM 0 HG22 ILE A 4 -4.699 -0.876 -8.674 1.00 0.66 H new ATOM 0 HG23 ILE A 4 -2.958 -1.077 -8.988 1.00 0.66 H new ATOM 0 HD11 ILE A 4 -2.086 -5.144 -9.020 1.00 0.75 H new ATOM 0 HD12 ILE A 4 -3.847 -4.928 -8.886 1.00 0.75 H new ATOM 0 HD13 ILE A 4 -2.884 -3.792 -9.859 1.00 0.75 H new ATOM 49 N LEU A 5 -5.089 -2.736 -5.055 1.00 0.45 N ATOM 50 CA LEU A 5 -5.815 -3.203 -3.856 1.00 0.57 C ATOM 51 C LEU A 5 -4.950 -3.937 -2.854 1.00 0.54 C ATOM 52 O LEU A 5 -4.971 -3.751 -1.637 1.00 0.78 O ATOM 53 CB LEU A 5 -7.024 -4.070 -4.249 1.00 0.72 C ATOM 54 CG LEU A 5 -6.722 -5.388 -4.974 1.00 0.75 C ATOM 55 CD1 LEU A 5 -7.979 -6.242 -5.049 1.00 1.02 C ATOM 56 CD2 LEU A 5 -6.179 -5.140 -6.372 1.00 1.25 C ATOM 0 H LEU A 5 -5.656 -2.774 -5.902 1.00 0.45 H new ATOM 0 HA LEU A 5 -6.158 -2.298 -3.355 1.00 0.57 H new ATOM 0 HB2 LEU A 5 -7.585 -4.301 -3.344 1.00 0.72 H new ATOM 0 HB3 LEU A 5 -7.677 -3.474 -4.886 1.00 0.72 H new ATOM 0 HG LEU A 5 -5.958 -5.917 -4.404 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -7.754 -7.175 -5.565 1.00 1.02 H new ATOM 0 HD12 LEU A 5 -8.331 -6.461 -4.041 1.00 1.02 H new ATOM 0 HD13 LEU A 5 -8.753 -5.703 -5.595 1.00 1.02 H new ATOM 0 HD21 LEU A 5 -5.976 -6.094 -6.858 1.00 1.25 H new ATOM 0 HD22 LEU A 5 -6.914 -4.585 -6.955 1.00 1.25 H new ATOM 0 HD23 LEU A 5 -5.257 -4.562 -6.307 1.00 1.25 H new ATOM 68 N HIS A 6 -4.124 -4.848 -3.369 1.00 0.45 N ATOM 69 CA HIS A 6 -3.239 -5.631 -2.502 1.00 0.63 C ATOM 70 C HIS A 6 -1.907 -5.853 -3.166 1.00 0.57 C ATOM 71 O HIS A 6 -1.234 -6.882 -3.103 1.00 0.79 O ATOM 72 CB HIS A 6 -3.873 -6.979 -2.121 1.00 0.86 C ATOM 73 CG HIS A 6 -4.089 -7.904 -3.279 1.00 0.90 C ATOM 74 ND1 HIS A 6 -3.075 -8.634 -3.860 1.00 1.09 N ATOM 75 CD2 HIS A 6 -5.204 -8.191 -3.983 1.00 0.95 C ATOM 76 CE1 HIS A 6 -3.557 -9.322 -4.874 1.00 1.23 C ATOM 77 NE2 HIS A 6 -4.849 -9.075 -4.970 1.00 1.17 N ATOM 0 H HIS A 6 -4.048 -5.061 -4.364 1.00 0.45 H new ATOM 0 HA HIS A 6 -3.086 -5.060 -1.586 1.00 0.63 H new ATOM 0 HB2 HIS A 6 -3.235 -7.474 -1.389 1.00 0.86 H new ATOM 0 HB3 HIS A 6 -4.831 -6.793 -1.635 1.00 0.86 H new ATOM 0 HD1 HIS A 6 -2.102 -8.640 -3.553 1.00 1.09 H new ATOM 0 HD2 HIS A 6 -6.193 -7.797 -3.803 1.00 0.95 H new ATOM 0 HE1 HIS A 6 -2.990 -9.978 -5.518 1.00 1.23 H new ATOM 86 N ASP A 7 -1.471 -4.818 -3.863 1.00 0.37 N ATOM 87 CA ASP A 7 -0.194 -4.870 -4.569 1.00 0.33 C ATOM 88 C ASP A 7 0.926 -4.774 -3.574 1.00 0.31 C ATOM 89 O ASP A 7 1.014 -3.947 -2.664 1.00 0.44 O ATOM 90 CB ASP A 7 -0.105 -3.753 -5.608 1.00 0.39 C ATOM 91 CG ASP A 7 1.251 -3.685 -6.290 1.00 0.58 C ATOM 92 OD1 ASP A 7 1.695 -4.715 -6.837 1.00 0.96 O ATOM 93 OD2 ASP A 7 1.887 -2.610 -6.261 1.00 0.97 O ATOM 0 H ASP A 7 -1.975 -3.936 -3.958 1.00 0.37 H new ATOM 0 HA ASP A 7 -0.114 -5.818 -5.101 1.00 0.33 H new ATOM 0 HB2 ASP A 7 -0.878 -3.903 -6.362 1.00 0.39 H new ATOM 0 HB3 ASP A 7 -0.311 -2.798 -5.125 1.00 0.39 H new ATOM 98 N ASN A 8 1.855 -5.716 -3.739 1.00 0.37 N ATOM 99 CA ASN A 8 2.991 -5.864 -2.830 1.00 0.39 C ATOM 100 C ASN A 8 3.884 -4.654 -2.905 1.00 0.41 C ATOM 101 O ASN A 8 4.273 -4.101 -3.941 1.00 0.57 O ATOM 102 CB ASN A 8 3.790 -7.131 -3.158 1.00 0.55 C ATOM 103 CG ASN A 8 3.032 -8.409 -2.843 1.00 1.40 C ATOM 104 OD1 ASN A 8 1.803 -8.457 -2.904 1.00 2.09 O ATOM 105 ND2 ASN A 8 3.764 -9.459 -2.500 1.00 2.19 N ATOM 0 H ASN A 8 1.842 -6.394 -4.501 1.00 0.37 H new ATOM 0 HA ASN A 8 2.604 -5.954 -1.815 1.00 0.39 H new ATOM 0 HB2 ASN A 8 4.055 -7.123 -4.215 1.00 0.55 H new ATOM 0 HB3 ASN A 8 4.724 -7.121 -2.596 1.00 0.55 H new ATOM 0 HD21 ASN A 8 3.311 -10.345 -2.276 1.00 2.19 H new ATOM 0 HD22 ASN A 8 4.780 -9.381 -2.460 1.00 2.19 H new ATOM 112 N CYS A 9 4.266 -4.199 -1.716 1.00 0.34 N ATOM 113 CA CYS A 9 5.073 -2.996 -1.580 1.00 0.41 C ATOM 114 C CYS A 9 5.891 -3.059 -0.320 1.00 0.44 C ATOM 115 O CYS A 9 5.704 -3.823 0.635 1.00 0.62 O ATOM 116 CB CYS A 9 4.182 -1.748 -1.570 1.00 0.59 C ATOM 117 SG CYS A 9 2.932 -1.722 -0.245 1.00 1.11 S ATOM 0 H CYS A 9 4.028 -4.648 -0.832 1.00 0.34 H new ATOM 0 HA CYS A 9 5.746 -2.934 -2.435 1.00 0.41 H new ATOM 0 HB2 CYS A 9 4.815 -0.866 -1.472 1.00 0.59 H new ATOM 0 HB3 CYS A 9 3.675 -1.671 -2.532 1.00 0.59 H new ATOM 122 N VAL A 10 6.910 -2.209 -0.320 1.00 0.51 N ATOM 123 CA VAL A 10 7.733 -1.990 0.860 1.00 0.66 C ATOM 124 C VAL A 10 7.122 -0.879 1.663 1.00 0.62 C ATOM 125 O VAL A 10 6.572 0.120 1.196 1.00 0.93 O ATOM 126 CB VAL A 10 9.198 -1.647 0.502 1.00 0.93 C ATOM 127 CG1 VAL A 10 9.882 -2.839 -0.146 1.00 1.70 C ATOM 128 CG2 VAL A 10 9.268 -0.432 -0.410 1.00 1.52 C ATOM 0 H VAL A 10 7.187 -1.657 -1.132 1.00 0.51 H new ATOM 0 HA VAL A 10 7.762 -2.914 1.438 1.00 0.66 H new ATOM 0 HB VAL A 10 9.723 -1.406 1.426 1.00 0.93 H new ATOM 0 HG11 VAL A 10 10.912 -2.579 -0.391 1.00 1.70 H new ATOM 0 HG12 VAL A 10 9.875 -3.682 0.545 1.00 1.70 H new ATOM 0 HG13 VAL A 10 9.350 -3.112 -1.057 1.00 1.70 H new ATOM 0 HG21 VAL A 10 10.310 -0.213 -0.646 1.00 1.52 H new ATOM 0 HG22 VAL A 10 8.723 -0.637 -1.331 1.00 1.52 H new ATOM 0 HG23 VAL A 10 8.822 0.426 0.092 1.00 1.52 H new ATOM 138 N TYR A 11 7.224 -1.051 2.978 1.00 0.92 N ATOM 139 CA TYR A 11 6.546 -0.177 3.936 1.00 1.15 C ATOM 140 C TYR A 11 7.169 1.197 3.916 1.00 1.00 C ATOM 141 O TYR A 11 7.942 1.665 4.759 1.00 1.61 O ATOM 142 CB TYR A 11 6.606 -0.791 5.341 1.00 1.97 C ATOM 143 CG TYR A 11 5.709 -0.112 6.356 1.00 2.55 C ATOM 144 CD1 TYR A 11 4.353 -0.407 6.424 1.00 3.30 C ATOM 145 CD2 TYR A 11 6.218 0.831 7.238 1.00 2.90 C ATOM 146 CE1 TYR A 11 3.533 0.219 7.344 1.00 4.26 C ATOM 147 CE2 TYR A 11 5.404 1.461 8.160 1.00 3.82 C ATOM 148 CZ TYR A 11 4.063 1.117 8.234 1.00 4.46 C ATOM 149 OH TYR A 11 3.245 1.784 9.119 1.00 5.54 O ATOM 0 H TYR A 11 7.774 -1.794 3.409 1.00 0.92 H new ATOM 0 HA TYR A 11 5.498 -0.078 3.652 1.00 1.15 H new ATOM 0 HB2 TYR A 11 6.331 -1.844 5.277 1.00 1.97 H new ATOM 0 HB3 TYR A 11 7.635 -0.752 5.699 1.00 1.97 H new ATOM 0 HD1 TYR A 11 3.933 -1.137 5.748 1.00 3.30 H new ATOM 0 HD2 TYR A 11 7.269 1.077 7.203 1.00 2.90 H new ATOM 0 HE1 TYR A 11 2.475 0.001 7.362 1.00 4.26 H new ATOM 0 HE2 TYR A 11 5.809 2.216 8.818 1.00 3.82 H new ATOM 0 HH TYR A 11 3.785 2.381 9.678 1.00 5.54 H new ATOM 159 N VAL A 12 6.815 1.907 2.853 1.00 0.59 N ATOM 160 CA VAL A 12 7.275 3.267 2.626 1.00 0.92 C ATOM 161 C VAL A 12 6.078 4.140 2.353 1.00 0.73 C ATOM 162 O VAL A 12 5.489 4.227 1.283 1.00 1.16 O ATOM 163 CB VAL A 12 8.264 3.338 1.437 1.00 1.65 C ATOM 164 CG1 VAL A 12 8.679 4.773 1.156 1.00 2.26 C ATOM 165 CG2 VAL A 12 9.490 2.479 1.709 1.00 2.45 C ATOM 0 H VAL A 12 6.198 1.553 2.122 1.00 0.59 H new ATOM 0 HA VAL A 12 7.804 3.614 3.514 1.00 0.92 H new ATOM 0 HB VAL A 12 7.754 2.952 0.554 1.00 1.65 H new ATOM 0 HG11 VAL A 12 9.374 4.793 0.316 1.00 2.26 H new ATOM 0 HG12 VAL A 12 7.797 5.366 0.912 1.00 2.26 H new ATOM 0 HG13 VAL A 12 9.164 5.191 2.038 1.00 2.26 H new ATOM 0 HG21 VAL A 12 10.173 2.542 0.862 1.00 2.45 H new ATOM 0 HG22 VAL A 12 9.992 2.836 2.608 1.00 2.45 H new ATOM 0 HG23 VAL A 12 9.184 1.443 1.852 1.00 2.45 H new ATOM 175 N PRO A 13 5.636 4.850 3.408 1.00 1.01 N ATOM 176 CA PRO A 13 4.433 5.692 3.357 1.00 1.29 C ATOM 177 C PRO A 13 4.604 6.922 2.499 1.00 1.09 C ATOM 178 O PRO A 13 3.884 7.248 1.552 1.00 1.07 O ATOM 179 CB PRO A 13 4.201 6.096 4.824 1.00 2.06 C ATOM 180 CG PRO A 13 5.096 5.216 5.631 1.00 2.35 C ATOM 181 CD PRO A 13 6.255 4.876 4.740 1.00 1.71 C ATOM 0 HA PRO A 13 3.598 5.153 2.909 1.00 1.29 H new ATOM 0 HB2 PRO A 13 4.439 7.148 4.983 1.00 2.06 H new ATOM 0 HB3 PRO A 13 3.158 5.959 5.108 1.00 2.06 H new ATOM 0 HG2 PRO A 13 5.434 5.726 6.533 1.00 2.35 H new ATOM 0 HG3 PRO A 13 4.572 4.315 5.951 1.00 2.35 H new ATOM 0 HD2 PRO A 13 7.048 5.621 4.804 1.00 1.71 H new ATOM 0 HD3 PRO A 13 6.698 3.915 5.000 1.00 1.71 H new ATOM 189 N ALA A 14 5.650 7.670 2.838 1.00 1.33 N ATOM 190 CA ALA A 14 5.900 8.979 2.235 1.00 1.64 C ATOM 191 C ALA A 14 6.074 8.878 0.741 1.00 1.58 C ATOM 192 O ALA A 14 5.691 9.707 -0.084 1.00 1.81 O ATOM 193 CB ALA A 14 7.115 9.629 2.867 1.00 2.17 C ATOM 0 H ALA A 14 6.344 7.391 3.532 1.00 1.33 H new ATOM 0 HA ALA A 14 5.027 9.603 2.425 1.00 1.64 H new ATOM 0 HB1 ALA A 14 7.287 10.602 2.407 1.00 2.17 H new ATOM 0 HB2 ALA A 14 6.944 9.758 3.936 1.00 2.17 H new ATOM 0 HB3 ALA A 14 7.988 8.995 2.713 1.00 2.17 H new ATOM 199 N GLN A 15 6.697 7.776 0.346 1.00 1.44 N ATOM 200 CA GLN A 15 6.969 7.504 -1.061 1.00 1.44 C ATOM 201 C GLN A 15 6.214 6.265 -1.483 1.00 1.09 C ATOM 202 O GLN A 15 6.615 5.407 -2.270 1.00 1.16 O ATOM 203 CB GLN A 15 8.476 7.320 -1.278 1.00 1.84 C ATOM 204 CG GLN A 15 8.874 7.110 -2.731 1.00 2.46 C ATOM 205 CD GLN A 15 9.745 5.885 -2.918 1.00 2.98 C ATOM 206 OE1 GLN A 15 10.976 5.957 -2.862 1.00 3.41 O ATOM 207 NE2 GLN A 15 9.106 4.744 -3.121 1.00 3.57 N ATOM 0 H GLN A 15 7.026 7.051 0.984 1.00 1.44 H new ATOM 0 HA GLN A 15 6.638 8.346 -1.669 1.00 1.44 H new ATOM 0 HB2 GLN A 15 8.997 8.196 -0.893 1.00 1.84 H new ATOM 0 HB3 GLN A 15 8.815 6.465 -0.693 1.00 1.84 H new ATOM 0 HG2 GLN A 15 7.976 7.011 -3.341 1.00 2.46 H new ATOM 0 HG3 GLN A 15 9.407 7.990 -3.090 1.00 2.46 H new ATOM 0 HE21 GLN A 15 8.087 4.730 -3.160 1.00 3.57 H new ATOM 0 HE22 GLN A 15 9.633 3.878 -3.238 1.00 3.57 H new ATOM 216 N ASN A 16 5.021 6.145 -0.903 1.00 0.85 N ATOM 217 CA ASN A 16 4.145 4.998 -1.156 1.00 0.74 C ATOM 218 C ASN A 16 3.606 5.057 -2.564 1.00 0.63 C ATOM 219 O ASN A 16 2.754 5.851 -2.977 1.00 0.65 O ATOM 220 CB ASN A 16 2.994 4.978 -0.140 1.00 0.93 C ATOM 221 CG ASN A 16 2.056 3.798 -0.316 1.00 0.87 C ATOM 222 OD1 ASN A 16 2.432 2.755 -0.842 1.00 1.63 O ATOM 223 ND2 ASN A 16 0.822 3.950 0.148 1.00 1.28 N ATOM 0 H ASN A 16 4.636 6.830 -0.252 1.00 0.85 H new ATOM 0 HA ASN A 16 4.722 4.080 -1.044 1.00 0.74 H new ATOM 0 HB2 ASN A 16 3.409 4.956 0.868 1.00 0.93 H new ATOM 0 HB3 ASN A 16 2.424 5.903 -0.230 1.00 0.93 H new ATOM 0 HD21 ASN A 16 0.151 3.185 0.073 1.00 1.28 H new ATOM 0 HD22 ASN A 16 0.544 4.832 0.579 1.00 1.28 H new ATOM 230 N PRO A 17 4.110 4.133 -3.409 1.00 0.65 N ATOM 231 CA PRO A 17 3.731 4.050 -4.818 1.00 0.61 C ATOM 232 C PRO A 17 2.453 3.277 -4.987 1.00 0.60 C ATOM 233 O PRO A 17 2.246 2.360 -5.784 1.00 0.86 O ATOM 234 CB PRO A 17 4.914 3.309 -5.442 1.00 0.79 C ATOM 235 CG PRO A 17 5.405 2.405 -4.361 1.00 0.94 C ATOM 236 CD PRO A 17 5.073 3.071 -3.046 1.00 0.84 C ATOM 0 HA PRO A 17 3.543 5.021 -5.275 1.00 0.61 H new ATOM 0 HB2 PRO A 17 4.608 2.744 -6.323 1.00 0.79 H new ATOM 0 HB3 PRO A 17 5.692 4.002 -5.762 1.00 0.79 H new ATOM 0 HG2 PRO A 17 4.928 1.427 -4.430 1.00 0.94 H new ATOM 0 HG3 PRO A 17 6.479 2.243 -4.451 1.00 0.94 H new ATOM 0 HD2 PRO A 17 4.638 2.363 -2.340 1.00 0.84 H new ATOM 0 HD3 PRO A 17 5.964 3.486 -2.574 1.00 0.84 H new ATOM 244 N CYS A 18 1.503 3.686 -4.161 1.00 0.52 N ATOM 245 CA CYS A 18 0.227 3.010 -4.030 1.00 0.52 C ATOM 246 C CYS A 18 -0.842 4.064 -3.981 1.00 0.44 C ATOM 247 O CYS A 18 -0.724 5.170 -3.447 1.00 0.49 O ATOM 248 CB CYS A 18 0.240 2.168 -2.749 1.00 0.71 C ATOM 249 SG CYS A 18 -1.070 0.911 -2.626 1.00 1.03 S ATOM 0 H CYS A 18 1.599 4.504 -3.559 1.00 0.52 H new ATOM 0 HA CYS A 18 0.036 2.342 -4.870 1.00 0.52 H new ATOM 0 HB2 CYS A 18 1.206 1.670 -2.672 1.00 0.71 H new ATOM 0 HB3 CYS A 18 0.158 2.838 -1.893 1.00 0.71 H new ATOM 254 N CYS A 19 -1.977 3.726 -4.596 1.00 0.43 N ATOM 255 CA CYS A 19 -3.084 4.676 -4.730 1.00 0.44 C ATOM 256 C CYS A 19 -3.568 5.124 -3.374 1.00 0.40 C ATOM 257 O CYS A 19 -3.597 4.440 -2.342 1.00 0.41 O ATOM 258 CB CYS A 19 -4.232 4.075 -5.543 1.00 0.56 C ATOM 259 SG CYS A 19 -4.253 4.598 -7.293 1.00 1.12 S ATOM 0 H CYS A 19 -2.154 2.809 -5.006 1.00 0.43 H new ATOM 0 HA CYS A 19 -2.714 5.548 -5.268 1.00 0.44 H new ATOM 0 HB2 CYS A 19 -4.165 2.988 -5.500 1.00 0.56 H new ATOM 0 HB3 CYS A 19 -5.178 4.354 -5.079 1.00 0.56 H new ATOM 264 N ARG A 20 -3.982 6.388 -3.364 1.00 0.50 N ATOM 265 CA ARG A 20 -4.375 7.060 -2.130 1.00 0.57 C ATOM 266 C ARG A 20 -5.707 6.532 -1.693 1.00 0.49 C ATOM 267 O ARG A 20 -6.753 6.556 -2.347 1.00 0.63 O ATOM 268 CB ARG A 20 -4.436 8.582 -2.310 1.00 0.81 C ATOM 269 CG ARG A 20 -4.360 9.359 -0.998 1.00 1.60 C ATOM 270 CD ARG A 20 -2.937 9.402 -0.445 1.00 2.27 C ATOM 271 NE ARG A 20 -2.342 8.066 -0.340 1.00 2.90 N ATOM 272 CZ ARG A 20 -1.105 7.770 -0.735 1.00 3.86 C ATOM 273 NH1 ARG A 20 -0.271 8.733 -1.097 1.00 4.34 N ATOM 274 NH2 ARG A 20 -0.695 6.507 -0.739 1.00 4.72 N ATOM 0 H ARG A 20 -4.054 6.969 -4.199 1.00 0.50 H new ATOM 0 HA ARG A 20 -3.625 6.856 -1.366 1.00 0.57 H new ATOM 0 HB2 ARG A 20 -3.616 8.896 -2.956 1.00 0.81 H new ATOM 0 HB3 ARG A 20 -5.362 8.841 -2.822 1.00 0.81 H new ATOM 0 HG2 ARG A 20 -4.719 10.376 -1.157 1.00 1.60 H new ATOM 0 HG3 ARG A 20 -5.021 8.898 -0.264 1.00 1.60 H new ATOM 0 HD2 ARG A 20 -2.317 10.024 -1.091 1.00 2.27 H new ATOM 0 HD3 ARG A 20 -2.945 9.872 0.538 1.00 2.27 H new ATOM 0 HE ARG A 20 -2.909 7.318 0.060 1.00 2.90 H new ATOM 0 HH11 ARG A 20 -0.575 9.706 -1.074 1.00 4.34 H new ATOM 0 HH12 ARG A 20 0.675 8.501 -1.399 1.00 4.34 H new ATOM 0 HH21 ARG A 20 -1.327 5.765 -0.440 1.00 4.72 H new ATOM 0 HH22 ARG A 20 0.252 6.279 -1.041 1.00 4.72 H new ATOM 288 N GLY A 21 -5.674 6.012 -0.481 1.00 0.42 N ATOM 289 CA GLY A 21 -6.802 5.290 0.062 1.00 0.43 C ATOM 290 C GLY A 21 -6.415 3.861 0.350 1.00 0.40 C ATOM 291 O GLY A 21 -7.191 3.090 0.913 1.00 0.55 O ATOM 0 H GLY A 21 -4.873 6.078 0.147 1.00 0.42 H new ATOM 0 HA2 GLY A 21 -7.146 5.773 0.977 1.00 0.43 H new ATOM 0 HA3 GLY A 21 -7.633 5.315 -0.643 1.00 0.43 H new ATOM 295 N LEU A 22 -5.209 3.508 -0.080 1.00 0.31 N ATOM 296 CA LEU A 22 -4.627 2.212 0.209 1.00 0.33 C ATOM 297 C LEU A 22 -3.417 2.410 1.082 1.00 0.39 C ATOM 298 O LEU A 22 -2.579 3.312 0.966 1.00 0.50 O ATOM 299 CB LEU A 22 -4.230 1.489 -1.083 1.00 0.38 C ATOM 300 CG LEU A 22 -5.386 1.045 -1.991 1.00 0.48 C ATOM 301 CD1 LEU A 22 -6.119 2.236 -2.596 1.00 1.25 C ATOM 302 CD2 LEU A 22 -4.866 0.143 -3.092 1.00 1.15 C ATOM 0 H LEU A 22 -4.610 4.116 -0.639 1.00 0.31 H new ATOM 0 HA LEU A 22 -5.364 1.595 0.724 1.00 0.33 H new ATOM 0 HB2 LEU A 22 -3.576 2.146 -1.657 1.00 0.38 H new ATOM 0 HB3 LEU A 22 -3.645 0.609 -0.818 1.00 0.38 H new ATOM 0 HG LEU A 22 -6.097 0.495 -1.375 1.00 0.48 H new ATOM 0 HD11 LEU A 22 -6.930 1.880 -3.232 1.00 1.25 H new ATOM 0 HD12 LEU A 22 -6.529 2.855 -1.798 1.00 1.25 H new ATOM 0 HD13 LEU A 22 -5.423 2.827 -3.192 1.00 1.25 H new ATOM 0 HD21 LEU A 22 -5.694 -0.166 -3.730 1.00 1.15 H new ATOM 0 HD22 LEU A 22 -4.130 0.683 -3.688 1.00 1.15 H new ATOM 0 HD23 LEU A 22 -4.399 -0.738 -2.651 1.00 1.15 H new ATOM 314 N GLN A 23 -3.308 1.506 2.045 1.00 0.43 N ATOM 315 CA GLN A 23 -2.218 1.533 3.012 1.00 0.54 C ATOM 316 C GLN A 23 -1.218 0.464 2.677 1.00 0.41 C ATOM 317 O GLN A 23 -1.458 -0.740 2.589 1.00 0.42 O ATOM 318 CB GLN A 23 -2.758 1.323 4.430 1.00 0.76 C ATOM 319 CG GLN A 23 -3.572 0.045 4.590 1.00 1.45 C ATOM 320 CD GLN A 23 -4.071 -0.167 6.003 1.00 2.11 C ATOM 321 OE1 GLN A 23 -3.434 0.245 6.971 1.00 2.66 O ATOM 322 NE2 GLN A 23 -5.217 -0.813 6.135 1.00 2.84 N ATOM 0 H GLN A 23 -3.967 0.739 2.178 1.00 0.43 H new ATOM 0 HA GLN A 23 -1.730 2.507 2.968 1.00 0.54 H new ATOM 0 HB2 GLN A 23 -1.922 1.301 5.129 1.00 0.76 H new ATOM 0 HB3 GLN A 23 -3.379 2.176 4.703 1.00 0.76 H new ATOM 0 HG2 GLN A 23 -4.424 0.076 3.911 1.00 1.45 H new ATOM 0 HG3 GLN A 23 -2.960 -0.808 4.295 1.00 1.45 H new ATOM 0 HE21 GLN A 23 -5.717 -1.140 5.308 1.00 2.84 H new ATOM 0 HE22 GLN A 23 -5.602 -0.985 7.064 1.00 2.84 H new ATOM 331 N CYS A 24 0.009 0.918 2.459 1.00 0.46 N ATOM 332 CA CYS A 24 1.108 0.007 2.188 1.00 0.44 C ATOM 333 C CYS A 24 1.599 -0.554 3.492 1.00 0.40 C ATOM 334 O CYS A 24 2.293 0.036 4.319 1.00 0.57 O ATOM 335 CB CYS A 24 2.242 0.713 1.444 1.00 0.61 C ATOM 336 SG CYS A 24 3.663 -0.361 1.072 1.00 1.14 S ATOM 0 H CYS A 24 0.265 1.905 2.465 1.00 0.46 H new ATOM 0 HA CYS A 24 0.755 -0.801 1.547 1.00 0.44 H new ATOM 0 HB2 CYS A 24 1.853 1.120 0.511 1.00 0.61 H new ATOM 0 HB3 CYS A 24 2.585 1.558 2.042 1.00 0.61 H new ATOM 341 N ARG A 25 1.173 -1.785 3.722 1.00 0.35 N ATOM 342 CA ARG A 25 1.542 -2.521 4.919 1.00 0.45 C ATOM 343 C ARG A 25 2.687 -3.432 4.588 1.00 0.43 C ATOM 344 O ARG A 25 3.033 -3.753 3.450 1.00 0.56 O ATOM 345 CB ARG A 25 0.339 -3.310 5.447 1.00 0.57 C ATOM 346 CG ARG A 25 -0.739 -2.417 6.042 1.00 1.37 C ATOM 347 CD ARG A 25 -0.227 -1.697 7.277 1.00 1.70 C ATOM 348 NE ARG A 25 -1.060 -0.556 7.638 1.00 2.29 N ATOM 349 CZ ARG A 25 -0.658 0.434 8.434 1.00 2.97 C ATOM 350 NH1 ARG A 25 0.506 0.359 9.070 1.00 3.32 N ATOM 351 NH2 ARG A 25 -1.437 1.491 8.623 1.00 3.76 N ATOM 0 H ARG A 25 0.564 -2.300 3.087 1.00 0.35 H new ATOM 0 HA ARG A 25 1.851 -1.831 5.704 1.00 0.45 H new ATOM 0 HB2 ARG A 25 -0.090 -3.896 4.634 1.00 0.57 H new ATOM 0 HB3 ARG A 25 0.678 -4.016 6.205 1.00 0.57 H new ATOM 0 HG2 ARG A 25 -1.063 -1.688 5.300 1.00 1.37 H new ATOM 0 HG3 ARG A 25 -1.611 -3.017 6.302 1.00 1.37 H new ATOM 0 HD2 ARG A 25 -0.190 -2.396 8.113 1.00 1.70 H new ATOM 0 HD3 ARG A 25 0.793 -1.357 7.100 1.00 1.70 H new ATOM 0 HE ARG A 25 -2.006 -0.513 7.259 1.00 2.29 H new ATOM 0 HH11 ARG A 25 1.100 -0.461 8.951 1.00 3.32 H new ATOM 0 HH12 ARG A 25 0.805 1.122 9.677 1.00 3.32 H new ATOM 0 HH21 ARG A 25 -2.344 1.546 8.159 1.00 3.76 H new ATOM 0 HH22 ARG A 25 -1.129 2.249 9.232 1.00 3.76 H new ATOM 365 N TYR A 26 3.342 -3.888 5.663 1.00 0.57 N ATOM 366 CA TYR A 26 4.532 -4.733 5.554 1.00 0.66 C ATOM 367 C TYR A 26 4.240 -5.920 4.676 1.00 0.54 C ATOM 368 O TYR A 26 3.720 -6.979 5.037 1.00 0.68 O ATOM 369 CB TYR A 26 4.995 -5.203 6.937 1.00 0.94 C ATOM 370 CG TYR A 26 5.489 -4.095 7.840 1.00 1.57 C ATOM 371 CD1 TYR A 26 4.615 -3.407 8.670 1.00 2.25 C ATOM 372 CD2 TYR A 26 6.827 -3.731 7.852 1.00 2.34 C ATOM 373 CE1 TYR A 26 5.063 -2.387 9.487 1.00 3.35 C ATOM 374 CE2 TYR A 26 7.282 -2.712 8.664 1.00 3.40 C ATOM 375 CZ TYR A 26 6.396 -2.075 9.520 1.00 3.83 C ATOM 376 OH TYR A 26 6.846 -1.022 10.288 1.00 5.02 O ATOM 0 H TYR A 26 3.064 -3.683 6.623 1.00 0.57 H new ATOM 0 HA TYR A 26 5.333 -4.144 5.107 1.00 0.66 H new ATOM 0 HB2 TYR A 26 4.168 -5.715 7.429 1.00 0.94 H new ATOM 0 HB3 TYR A 26 5.793 -5.935 6.810 1.00 0.94 H new ATOM 0 HD1 TYR A 26 3.568 -3.673 8.677 1.00 2.25 H new ATOM 0 HD2 TYR A 26 7.525 -4.254 7.215 1.00 2.34 H new ATOM 0 HE1 TYR A 26 4.363 -1.837 10.099 1.00 3.35 H new ATOM 0 HE2 TYR A 26 8.319 -2.413 8.633 1.00 3.40 H new ATOM 0 HH TYR A 26 6.559 -0.176 9.884 1.00 5.02 H new ATOM 386 N GLY A 27 4.570 -5.716 3.407 1.00 0.43 N ATOM 387 CA GLY A 27 4.358 -6.728 2.398 1.00 0.42 C ATOM 388 C GLY A 27 3.607 -6.195 1.194 1.00 0.34 C ATOM 389 O GLY A 27 4.051 -6.368 0.058 1.00 0.39 O ATOM 0 H GLY A 27 4.987 -4.853 3.058 1.00 0.43 H new ATOM 0 HA2 GLY A 27 5.321 -7.124 2.076 1.00 0.42 H new ATOM 0 HA3 GLY A 27 3.801 -7.559 2.832 1.00 0.42 H new ATOM 393 N LYS A 28 2.477 -5.535 1.431 1.00 0.32 N ATOM 394 CA LYS A 28 1.611 -5.103 0.338 1.00 0.38 C ATOM 395 C LYS A 28 0.648 -4.039 0.791 1.00 0.29 C ATOM 396 O LYS A 28 0.491 -3.638 1.947 1.00 0.28 O ATOM 397 CB LYS A 28 0.851 -6.302 -0.244 1.00 0.60 C ATOM 398 CG LYS A 28 0.147 -7.152 0.800 1.00 0.68 C ATOM 399 CD LYS A 28 -0.526 -8.357 0.163 1.00 1.17 C ATOM 400 CE LYS A 28 -1.077 -9.312 1.209 1.00 1.65 C ATOM 401 NZ LYS A 28 -2.086 -8.661 2.086 1.00 2.20 N ATOM 0 H LYS A 28 2.141 -5.289 2.362 1.00 0.32 H new ATOM 0 HA LYS A 28 2.241 -4.673 -0.441 1.00 0.38 H new ATOM 0 HB2 LYS A 28 0.114 -5.939 -0.960 1.00 0.60 H new ATOM 0 HB3 LYS A 28 1.550 -6.929 -0.797 1.00 0.60 H new ATOM 0 HG2 LYS A 28 0.867 -7.487 1.547 1.00 0.68 H new ATOM 0 HG3 LYS A 28 -0.597 -6.550 1.322 1.00 0.68 H new ATOM 0 HD2 LYS A 28 -1.335 -8.021 -0.485 1.00 1.17 H new ATOM 0 HD3 LYS A 28 0.191 -8.883 -0.468 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -1.529 -10.171 0.713 1.00 1.65 H new ATOM 0 HE3 LYS A 28 -0.258 -9.692 1.820 1.00 1.65 H new ATOM 0 HZ1 LYS A 28 -2.496 -9.369 2.728 1.00 2.20 H new ATOM 0 HZ2 LYS A 28 -1.629 -7.911 2.644 1.00 2.20 H new ATOM 0 HZ3 LYS A 28 -2.839 -8.247 1.501 1.00 2.20 H new ATOM 415 N CYS A 29 -0.064 -3.535 -0.212 1.00 0.32 N ATOM 416 CA CYS A 29 -1.109 -2.546 -0.007 1.00 0.33 C ATOM 417 C CYS A 29 -2.358 -3.220 0.490 1.00 0.34 C ATOM 418 O CYS A 29 -2.760 -4.337 0.159 1.00 0.52 O ATOM 419 CB CYS A 29 -1.423 -1.807 -1.315 1.00 0.48 C ATOM 420 SG CYS A 29 -0.089 -0.725 -1.925 1.00 0.95 S ATOM 0 H CYS A 29 0.069 -3.802 -1.187 1.00 0.32 H new ATOM 0 HA CYS A 29 -0.757 -1.825 0.731 1.00 0.33 H new ATOM 0 HB2 CYS A 29 -1.654 -2.543 -2.085 1.00 0.48 H new ATOM 0 HB3 CYS A 29 -2.320 -1.206 -1.169 1.00 0.48 H new ATOM 425 N LEU A 30 -3.018 -2.497 1.383 1.00 0.32 N ATOM 426 CA LEU A 30 -4.325 -2.880 1.882 1.00 0.38 C ATOM 427 C LEU A 30 -5.262 -1.724 1.696 1.00 0.33 C ATOM 428 O LEU A 30 -5.064 -0.564 2.071 1.00 0.45 O ATOM 429 CB LEU A 30 -4.258 -3.272 3.361 1.00 0.53 C ATOM 430 CG LEU A 30 -3.442 -4.530 3.676 1.00 0.82 C ATOM 431 CD1 LEU A 30 -3.416 -4.785 5.174 1.00 1.35 C ATOM 432 CD2 LEU A 30 -4.014 -5.736 2.944 1.00 1.19 C ATOM 0 H LEU A 30 -2.660 -1.629 1.780 1.00 0.32 H new ATOM 0 HA LEU A 30 -4.682 -3.748 1.327 1.00 0.38 H new ATOM 0 HB2 LEU A 30 -3.836 -2.437 3.921 1.00 0.53 H new ATOM 0 HB3 LEU A 30 -5.275 -3.419 3.726 1.00 0.53 H new ATOM 0 HG LEU A 30 -2.420 -4.371 3.333 1.00 0.82 H new ATOM 0 HD11 LEU A 30 -2.832 -5.682 5.380 1.00 1.35 H new ATOM 0 HD12 LEU A 30 -2.963 -3.933 5.680 1.00 1.35 H new ATOM 0 HD13 LEU A 30 -4.434 -4.923 5.537 1.00 1.35 H new ATOM 0 HD21 LEU A 30 -3.421 -6.620 3.180 1.00 1.19 H new ATOM 0 HD22 LEU A 30 -5.045 -5.896 3.258 1.00 1.19 H new ATOM 0 HD23 LEU A 30 -3.985 -5.557 1.869 1.00 1.19 H new ATOM 444 N VAL A 31 -6.368 -2.040 1.045 1.00 0.44 N ATOM 445 CA VAL A 31 -7.411 -1.057 0.774 1.00 0.51 C ATOM 446 C VAL A 31 -8.066 -0.604 2.058 1.00 0.58 C ATOM 447 O VAL A 31 -8.881 -1.243 2.728 1.00 0.86 O ATOM 448 CB VAL A 31 -8.481 -1.606 -0.201 1.00 0.82 C ATOM 449 CG1 VAL A 31 -7.996 -1.507 -1.638 1.00 1.54 C ATOM 450 CG2 VAL A 31 -8.835 -3.048 0.136 1.00 1.54 C ATOM 0 H VAL A 31 -6.571 -2.975 0.691 1.00 0.44 H new ATOM 0 HA VAL A 31 -6.931 -0.202 0.298 1.00 0.51 H new ATOM 0 HB VAL A 31 -9.379 -0.997 -0.092 1.00 0.82 H new ATOM 0 HG11 VAL A 31 -8.762 -1.898 -2.308 1.00 1.54 H new ATOM 0 HG12 VAL A 31 -7.797 -0.464 -1.884 1.00 1.54 H new ATOM 0 HG13 VAL A 31 -7.081 -2.088 -1.754 1.00 1.54 H new ATOM 0 HG21 VAL A 31 -9.589 -3.411 -0.563 1.00 1.54 H new ATOM 0 HG22 VAL A 31 -7.942 -3.669 0.061 1.00 1.54 H new ATOM 0 HG23 VAL A 31 -9.228 -3.098 1.151 1.00 1.54 H new ATOM 460 N GLN A 32 -7.651 0.604 2.457 1.00 0.61 N ATOM 461 CA GLN A 32 -8.242 1.298 3.602 1.00 0.89 C ATOM 462 C GLN A 32 -9.706 1.492 3.346 1.00 1.12 C ATOM 463 O GLN A 32 -10.632 1.178 4.095 1.00 1.44 O ATOM 464 CB GLN A 32 -7.591 2.670 3.816 1.00 1.14 C ATOM 465 CG GLN A 32 -6.092 2.639 4.062 1.00 1.54 C ATOM 466 CD GLN A 32 -5.482 4.031 4.022 1.00 2.11 C ATOM 467 OE1 GLN A 32 -5.960 4.911 3.306 1.00 2.63 O ATOM 468 NE2 GLN A 32 -4.429 4.246 4.793 1.00 2.71 N ATOM 0 H GLN A 32 -6.902 1.123 1.998 1.00 0.61 H new ATOM 0 HA GLN A 32 -8.079 0.695 4.495 1.00 0.89 H new ATOM 0 HB2 GLN A 32 -7.787 3.289 2.941 1.00 1.14 H new ATOM 0 HB3 GLN A 32 -8.073 3.156 4.664 1.00 1.14 H new ATOM 0 HG2 GLN A 32 -5.893 2.183 5.032 1.00 1.54 H new ATOM 0 HG3 GLN A 32 -5.614 2.011 3.310 1.00 1.54 H new ATOM 0 HE21 GLN A 32 -4.060 3.493 5.374 1.00 2.71 H new ATOM 0 HE22 GLN A 32 -3.986 5.165 4.807 1.00 2.71 H new ATOM 477 N VAL A 33 -9.937 2.042 2.165 1.00 1.59 N ATOM 478 CA VAL A 33 -11.279 2.366 1.697 1.00 2.06 C ATOM 479 C VAL A 33 -11.939 1.142 1.115 1.00 2.56 C ATOM 480 O VAL A 33 -12.305 0.990 -0.058 1.00 3.36 O ATOM 481 CB VAL A 33 -11.262 3.512 0.656 1.00 2.90 C ATOM 482 CG1 VAL A 33 -10.856 4.818 1.317 1.00 3.48 C ATOM 483 CG2 VAL A 33 -10.321 3.194 -0.506 1.00 3.45 C ATOM 0 H VAL A 33 -9.199 2.278 1.501 1.00 1.59 H new ATOM 0 HA VAL A 33 -11.855 2.709 2.557 1.00 2.06 H new ATOM 0 HB VAL A 33 -12.270 3.614 0.254 1.00 2.90 H new ATOM 0 HG11 VAL A 33 -10.848 5.615 0.574 1.00 3.48 H new ATOM 0 HG12 VAL A 33 -11.568 5.064 2.105 1.00 3.48 H new ATOM 0 HG13 VAL A 33 -9.860 4.714 1.747 1.00 3.48 H new ATOM 0 HG21 VAL A 33 -10.332 4.018 -1.219 1.00 3.45 H new ATOM 0 HG22 VAL A 33 -9.308 3.056 -0.127 1.00 3.45 H new ATOM 0 HG23 VAL A 33 -10.651 2.281 -1.002 1.00 3.45 H new HETATM 493 N HSL A 34 -12.106 0.172 2.000 1.00 2.62 N HETATM 494 CA HSL A 34 -12.868 -1.156 1.554 1.00 3.49 C HETATM 495 C HSL A 34 -13.972 -1.668 2.475 1.00 3.98 C HETATM 496 O HSL A 34 -14.833 -0.936 2.977 1.00 4.33 O HETATM 497 CB HSL A 34 -11.782 -2.202 1.581 1.00 4.03 C HETATM 498 CG HSL A 34 -12.366 -3.517 2.021 1.00 4.92 C HETATM 499 OD HSL A 34 -13.760 -3.187 2.604 1.00 4.86 O HETATM 0 HG3 HSL A 34 -12.447 -4.209 1.182 1.00 4.92 H new HETATM 0 HG2 HSL A 34 -11.733 -3.995 2.769 1.00 4.92 H new HETATM 0 HB3 HSL A 34 -11.334 -2.303 0.592 1.00 4.03 H new HETATM 0 HB2 HSL A 34 -10.987 -1.899 2.262 1.00 4.03 H new HETATM 0 HA HSL A 34 -13.367 -0.950 0.607 1.00 3.49 H new HETATM 0 H HSL A 34 -12.364 0.641 2.868 1.00 2.62 H new TER 506 HSL A 34