USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 307 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 Set 1.1: A 127 HIS : no HD1:sc= -1.9 K(o=-3,f=-3.8!) USER MOD Set 1.2: A 142 MET CE :methyl -130:sc= -1.13 (180deg=-0.996) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 108 -3.809 -1.676 -5.063 1.00 0.00 N ATOM 2 CA VAL A 108 -4.301 -0.816 -4.002 1.00 0.00 C ATOM 3 C VAL A 108 -3.161 -0.040 -3.336 1.00 0.00 C ATOM 4 O VAL A 108 -3.201 1.187 -3.250 1.00 0.00 O ATOM 5 CB VAL A 108 -5.042 -1.679 -2.957 1.00 0.00 C ATOM 6 CG1 VAL A 108 -4.831 -1.163 -1.537 1.00 0.00 C ATOM 7 CG2 VAL A 108 -6.525 -1.751 -3.287 1.00 0.00 C ATOM 0 HA VAL A 108 -4.985 -0.085 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.620 -2.683 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.370 -1.799 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.768 -1.178 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.205 -0.142 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.034 -2.362 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.948 -0.746 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.657 -2.196 -4.273 1.00 0.00 H new ATOM 17 N ILE A 109 -2.151 -0.765 -2.867 1.00 0.00 N ATOM 18 CA ILE A 109 -1.006 -0.145 -2.208 1.00 0.00 C ATOM 19 C ILE A 109 -0.219 0.716 -3.169 1.00 0.00 C ATOM 20 O ILE A 109 0.105 1.871 -2.893 1.00 0.00 O ATOM 21 CB ILE A 109 -0.071 -1.198 -1.580 1.00 0.00 C ATOM 22 CG1 ILE A 109 -0.867 -2.157 -0.693 1.00 0.00 C ATOM 23 CG2 ILE A 109 1.031 -0.519 -0.778 1.00 0.00 C ATOM 24 CD1 ILE A 109 -0.295 -3.557 -0.652 1.00 0.00 C ATOM 0 H ILE A 109 -2.101 -1.782 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.406 0.484 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 109 0.391 -1.774 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.902 -1.758 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.895 -2.203 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 109 1.682 -1.276 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 109 1.614 0.126 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.586 0.079 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.910 -4.182 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -0.286 -3.976 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.723 -3.523 -0.264 1.00 0.00 H new ATOM 36 N CYS A 110 0.074 0.125 -4.288 1.00 0.00 N ATOM 37 CA CYS A 110 0.829 0.781 -5.349 1.00 0.00 C ATOM 38 C CYS A 110 0.134 0.604 -6.698 1.00 0.00 C ATOM 39 O CYS A 110 0.253 -0.441 -7.336 1.00 0.00 O ATOM 40 CB CYS A 110 2.255 0.222 -5.406 1.00 0.00 C ATOM 41 SG CYS A 110 3.515 1.345 -4.716 1.00 0.00 S ATOM 0 H CYS A 110 -0.200 -0.833 -4.506 1.00 0.00 H new ATOM 0 HA CYS A 110 0.878 1.847 -5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.287 -0.722 -4.862 1.00 0.00 H new ATOM 0 HB3 CYS A 110 2.507 0.001 -6.443 1.00 0.00 H new ATOM 46 N ARG A 111 -0.596 1.633 -7.120 1.00 0.00 N ATOM 47 CA ARG A 111 -1.317 1.592 -8.389 1.00 0.00 C ATOM 48 C ARG A 111 -0.458 2.127 -9.531 1.00 0.00 C ATOM 49 O ARG A 111 -0.558 1.658 -10.665 1.00 0.00 O ATOM 50 CB ARG A 111 -2.614 2.398 -8.289 1.00 0.00 C ATOM 51 CG ARG A 111 -2.420 3.804 -7.744 1.00 0.00 C ATOM 52 CD ARG A 111 -2.861 3.907 -6.293 1.00 0.00 C ATOM 53 NE ARG A 111 -2.786 5.278 -5.794 1.00 0.00 N ATOM 54 CZ ARG A 111 -3.695 6.214 -6.060 1.00 0.00 C ATOM 55 NH1 ARG A 111 -4.747 5.931 -6.818 1.00 0.00 N ATOM 56 NH2 ARG A 111 -3.550 7.436 -5.567 1.00 0.00 N ATOM 0 H ARG A 111 -0.704 2.505 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.558 0.551 -8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.069 2.461 -9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.315 1.863 -7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.370 4.085 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.988 4.511 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.884 3.542 -6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.234 3.262 -5.677 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.991 5.533 -5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.862 4.992 -7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.440 6.652 -7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.743 7.658 -4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.246 8.154 -5.770 1.00 0.00 H new ATOM 70 N GLU A 112 0.385 3.109 -9.227 1.00 0.00 N ATOM 71 CA GLU A 112 1.259 3.702 -10.233 1.00 0.00 C ATOM 72 C GLU A 112 2.645 3.068 -10.187 1.00 0.00 C ATOM 73 O GLU A 112 3.653 3.734 -10.421 1.00 0.00 O ATOM 74 CB GLU A 112 1.369 5.213 -10.020 1.00 0.00 C ATOM 75 CG GLU A 112 1.422 6.008 -11.316 1.00 0.00 C ATOM 76 CD GLU A 112 1.209 7.492 -11.098 1.00 0.00 C ATOM 77 OE1 GLU A 112 1.782 8.039 -10.133 1.00 0.00 O ATOM 78 OE2 GLU A 112 0.469 8.109 -11.895 1.00 0.00 O ATOM 0 H GLU A 112 0.481 3.510 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 112 0.823 3.513 -11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 112 0.517 5.551 -9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.265 5.425 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.388 5.850 -11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.661 5.632 -12.000 1.00 0.00 H new ATOM 85 N CYS A 113 2.685 1.777 -9.878 1.00 0.00 N ATOM 86 CA CYS A 113 3.942 1.046 -9.792 1.00 0.00 C ATOM 87 C CYS A 113 4.008 -0.057 -10.848 1.00 0.00 C ATOM 88 O CYS A 113 5.089 -0.415 -11.316 1.00 0.00 O ATOM 89 CB CYS A 113 4.099 0.451 -8.393 1.00 0.00 C ATOM 90 SG CYS A 113 5.788 0.550 -7.716 1.00 0.00 S ATOM 0 H CYS A 113 1.857 1.214 -9.682 1.00 0.00 H new ATOM 0 HA CYS A 113 4.760 1.741 -9.981 1.00 0.00 H new ATOM 0 HB2 CYS A 113 3.418 0.965 -7.715 1.00 0.00 H new ATOM 0 HB3 CYS A 113 3.792 -0.595 -8.420 1.00 0.00 H new ATOM 95 N GLY A 114 2.846 -0.587 -11.221 1.00 0.00 N ATOM 96 CA GLY A 114 2.796 -1.639 -12.223 1.00 0.00 C ATOM 97 C GLY A 114 3.189 -2.993 -11.667 1.00 0.00 C ATOM 98 O GLY A 114 2.502 -3.543 -10.806 1.00 0.00 O ATOM 0 H GLY A 114 1.939 -0.307 -10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.788 -1.698 -12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.461 -1.382 -13.048 1.00 0.00 H new ATOM 102 N LYS A 115 4.302 -3.532 -12.159 1.00 0.00 N ATOM 103 CA LYS A 115 4.792 -4.829 -11.708 1.00 0.00 C ATOM 104 C LYS A 115 6.179 -4.690 -11.084 1.00 0.00 C ATOM 105 O LYS A 115 7.192 -4.939 -11.738 1.00 0.00 O ATOM 106 CB LYS A 115 4.840 -5.818 -12.874 1.00 0.00 C ATOM 107 CG LYS A 115 3.467 -6.273 -13.341 1.00 0.00 C ATOM 108 CD LYS A 115 3.051 -7.575 -12.671 1.00 0.00 C ATOM 109 CE LYS A 115 2.867 -8.695 -13.684 1.00 0.00 C ATOM 110 NZ LYS A 115 3.988 -9.676 -13.638 1.00 0.00 N ATOM 0 H LYS A 115 4.882 -3.088 -12.872 1.00 0.00 H new ATOM 0 HA LYS A 115 4.104 -5.210 -10.953 1.00 0.00 H new ATOM 0 HB2 LYS A 115 5.365 -5.356 -13.710 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.421 -6.691 -12.576 1.00 0.00 H new ATOM 0 HG2 LYS A 115 2.732 -5.499 -13.121 1.00 0.00 H new ATOM 0 HG3 LYS A 115 3.476 -6.406 -14.423 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.806 -7.866 -11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.120 -7.422 -12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 115 1.926 -9.210 -13.489 1.00 0.00 H new ATOM 0 HE3 LYS A 115 2.797 -8.271 -14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 3.825 -10.423 -14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.883 -9.190 -13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.039 -10.100 -12.690 1.00 0.00 H new ATOM 124 N PRO A 116 6.241 -4.276 -9.808 1.00 0.00 N ATOM 125 CA PRO A 116 7.476 -4.083 -9.080 1.00 0.00 C ATOM 126 C PRO A 116 7.768 -5.253 -8.143 1.00 0.00 C ATOM 127 O PRO A 116 7.396 -6.391 -8.428 1.00 0.00 O ATOM 128 CB PRO A 116 7.147 -2.811 -8.297 1.00 0.00 C ATOM 129 CG PRO A 116 5.677 -2.907 -8.006 1.00 0.00 C ATOM 130 CD PRO A 116 5.103 -3.941 -8.948 1.00 0.00 C ATOM 0 HA PRO A 116 8.363 -4.014 -9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 116 7.729 -2.751 -7.377 1.00 0.00 H new ATOM 0 HB3 PRO A 116 7.377 -1.918 -8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 116 5.508 -3.195 -6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 116 5.192 -1.942 -8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.733 -4.814 -8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.267 -3.543 -9.523 1.00 0.00 H new ATOM 138 N ASP A 117 8.418 -4.969 -7.020 1.00 0.00 N ATOM 139 CA ASP A 117 8.735 -6.006 -6.042 1.00 0.00 C ATOM 140 C ASP A 117 8.331 -5.551 -4.649 1.00 0.00 C ATOM 141 O ASP A 117 8.305 -4.349 -4.373 1.00 0.00 O ATOM 142 CB ASP A 117 10.229 -6.332 -6.071 1.00 0.00 C ATOM 143 CG ASP A 117 10.535 -7.573 -6.885 1.00 0.00 C ATOM 144 OD1 ASP A 117 10.631 -7.462 -8.125 1.00 0.00 O ATOM 145 OD2 ASP A 117 10.679 -8.658 -6.282 1.00 0.00 O ATOM 0 H ASP A 117 8.735 -4.034 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 117 8.177 -6.906 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.775 -5.485 -6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.587 -6.473 -5.051 1.00 0.00 H new ATOM 150 N THR A 118 8.020 -6.490 -3.763 1.00 0.00 N ATOM 151 CA THR A 118 7.629 -6.124 -2.406 1.00 0.00 C ATOM 152 C THR A 118 8.471 -6.856 -1.368 1.00 0.00 C ATOM 153 O THR A 118 8.631 -8.075 -1.422 1.00 0.00 O ATOM 154 CB THR A 118 6.151 -6.456 -2.196 1.00 0.00 C ATOM 155 OG1 THR A 118 5.818 -6.415 -0.819 1.00 0.00 O ATOM 156 CG2 THR A 118 5.760 -7.821 -2.724 1.00 0.00 C ATOM 0 H THR A 118 8.030 -7.492 -3.953 1.00 0.00 H new ATOM 0 HA THR A 118 7.794 -5.054 -2.280 1.00 0.00 H new ATOM 0 HB THR A 118 5.604 -5.699 -2.757 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.868 -6.629 -0.706 1.00 0.00 H new ATOM 0 HG21 THR A 118 4.699 -7.991 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 118 5.956 -7.867 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 118 6.343 -8.589 -2.215 1.00 0.00 H new ATOM 164 N LYS A 119 8.970 -6.097 -0.399 1.00 0.00 N ATOM 165 CA LYS A 119 9.779 -6.650 0.681 1.00 0.00 C ATOM 166 C LYS A 119 9.286 -6.112 2.021 1.00 0.00 C ATOM 167 O LYS A 119 9.055 -4.912 2.166 1.00 0.00 O ATOM 168 CB LYS A 119 11.231 -6.216 0.478 1.00 0.00 C ATOM 169 CG LYS A 119 11.774 -6.529 -0.906 1.00 0.00 C ATOM 170 CD LYS A 119 12.021 -8.019 -1.085 1.00 0.00 C ATOM 171 CE LYS A 119 13.363 -8.286 -1.750 1.00 0.00 C ATOM 172 NZ LYS A 119 13.834 -9.678 -1.512 1.00 0.00 N ATOM 0 H LYS A 119 8.827 -5.089 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 119 9.702 -7.737 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.308 -5.143 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.856 -6.708 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.069 -6.183 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.704 -5.983 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.990 -8.513 -0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.223 -8.451 -1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.278 -8.110 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.103 -7.582 -1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.751 -9.819 -1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.940 -9.839 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.140 -10.350 -1.898 1.00 0.00 H new ATOM 186 N ILE A 120 9.201 -6.982 3.021 1.00 0.00 N ATOM 187 CA ILE A 120 8.783 -6.555 4.353 1.00 0.00 C ATOM 188 C ILE A 120 9.781 -7.029 5.406 1.00 0.00 C ATOM 189 O ILE A 120 10.180 -8.194 5.420 1.00 0.00 O ATOM 190 CB ILE A 120 7.398 -7.151 4.681 1.00 0.00 C ATOM 191 CG1 ILE A 120 6.908 -6.647 6.039 1.00 0.00 C ATOM 192 CG2 ILE A 120 7.449 -8.672 4.659 1.00 0.00 C ATOM 193 CD1 ILE A 120 5.412 -6.428 6.101 1.00 0.00 C ATOM 0 H ILE A 120 9.413 -7.976 2.938 1.00 0.00 H new ATOM 0 HA ILE A 120 8.736 -5.466 4.364 1.00 0.00 H new ATOM 0 HB ILE A 120 6.693 -6.823 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 120 7.194 -7.365 6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 120 7.414 -5.710 6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 120 6.463 -9.073 4.893 1.00 0.00 H new ATOM 0 HG22 ILE A 120 7.753 -9.012 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 120 8.168 -9.023 5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 120 5.137 -6.071 7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 120 5.121 -5.688 5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 120 4.898 -7.368 5.899 1.00 0.00 H new ATOM 205 N ILE A 121 10.118 -6.141 6.338 1.00 0.00 N ATOM 206 CA ILE A 121 11.030 -6.483 7.424 1.00 0.00 C ATOM 207 C ILE A 121 10.435 -6.071 8.766 1.00 0.00 C ATOM 208 O ILE A 121 9.947 -4.950 8.916 1.00 0.00 O ATOM 209 CB ILE A 121 12.364 -5.735 7.238 1.00 0.00 C ATOM 210 CG1 ILE A 121 12.130 -4.223 7.185 1.00 0.00 C ATOM 211 CG2 ILE A 121 13.066 -6.213 5.974 1.00 0.00 C ATOM 212 CD1 ILE A 121 12.641 -3.490 8.407 1.00 0.00 C ATOM 0 H ILE A 121 9.774 -5.181 6.362 1.00 0.00 H new ATOM 0 HA ILE A 121 11.193 -7.561 7.408 1.00 0.00 H new ATOM 0 HB ILE A 121 13.005 -5.951 8.093 1.00 0.00 H new ATOM 0 HG12 ILE A 121 12.618 -3.819 6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 121 11.062 -4.032 7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 121 14.007 -5.676 5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.265 -7.282 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 121 12.429 -6.024 5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 121 12.442 -2.424 8.301 1.00 0.00 H new ATOM 0 HD12 ILE A 121 12.135 -3.867 9.296 1.00 0.00 H new ATOM 0 HD13 ILE A 121 13.715 -3.651 8.505 1.00 0.00 H new ATOM 224 N LYS A 122 10.550 -6.938 9.766 1.00 0.00 N ATOM 225 CA LYS A 122 10.058 -6.618 11.101 1.00 0.00 C ATOM 226 C LYS A 122 11.147 -6.857 12.143 1.00 0.00 C ATOM 227 O LYS A 122 11.803 -7.899 12.142 1.00 0.00 O ATOM 228 CB LYS A 122 8.851 -7.513 11.405 1.00 0.00 C ATOM 229 CG LYS A 122 8.403 -7.473 12.860 1.00 0.00 C ATOM 230 CD LYS A 122 7.264 -8.447 13.119 1.00 0.00 C ATOM 231 CE LYS A 122 7.129 -8.766 14.600 1.00 0.00 C ATOM 232 NZ LYS A 122 6.776 -10.194 14.830 1.00 0.00 N ATOM 0 H LYS A 122 10.976 -7.861 9.679 1.00 0.00 H new ATOM 0 HA LYS A 122 9.769 -5.568 11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.018 -7.211 10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.097 -8.541 11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.245 -7.716 13.508 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.085 -6.463 13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.330 -8.023 12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.437 -9.368 12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.066 -8.537 15.108 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.364 -8.127 15.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.693 -10.371 15.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.869 -10.406 14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.519 -10.804 14.432 1.00 0.00 H new ATOM 246 N GLU A 123 11.280 -5.921 13.076 1.00 0.00 N ATOM 247 CA GLU A 123 12.257 -6.055 14.157 1.00 0.00 C ATOM 248 C GLU A 123 11.568 -5.786 15.487 1.00 0.00 C ATOM 249 O GLU A 123 10.828 -4.810 15.609 1.00 0.00 O ATOM 250 CB GLU A 123 13.370 -5.026 13.947 1.00 0.00 C ATOM 251 CG GLU A 123 14.598 -5.592 13.255 1.00 0.00 C ATOM 252 CD GLU A 123 14.643 -5.255 11.777 1.00 0.00 C ATOM 253 OE1 GLU A 123 14.978 -4.099 11.442 1.00 0.00 O ATOM 254 OE2 GLU A 123 14.341 -6.146 10.955 1.00 0.00 O ATOM 0 H GLU A 123 10.728 -5.064 13.108 1.00 0.00 H new ATOM 0 HA GLU A 123 12.677 -7.061 14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.980 -4.197 13.357 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.664 -4.618 14.914 1.00 0.00 H new ATOM 0 HG2 GLU A 123 15.494 -5.205 13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.612 -6.675 13.377 1.00 0.00 H new ATOM 261 N GLY A 124 11.845 -6.590 16.501 1.00 0.00 N ATOM 262 CA GLY A 124 11.237 -6.355 17.802 1.00 0.00 C ATOM 263 C GLY A 124 9.711 -6.382 17.756 1.00 0.00 C ATOM 264 O GLY A 124 9.105 -7.451 17.831 1.00 0.00 O ATOM 0 H GLY A 124 12.472 -7.393 16.453 1.00 0.00 H new ATOM 0 HA2 GLY A 124 11.588 -7.111 18.504 1.00 0.00 H new ATOM 0 HA3 GLY A 124 11.567 -5.389 18.183 1.00 0.00 H new ATOM 268 N ARG A 125 9.087 -5.204 17.640 1.00 0.00 N ATOM 269 CA ARG A 125 7.622 -5.109 17.596 1.00 0.00 C ATOM 270 C ARG A 125 7.155 -3.976 16.675 1.00 0.00 C ATOM 271 O ARG A 125 6.159 -3.307 16.946 1.00 0.00 O ATOM 272 CB ARG A 125 7.060 -4.896 19.005 1.00 0.00 C ATOM 273 CG ARG A 125 7.896 -3.958 19.861 1.00 0.00 C ATOM 274 CD ARG A 125 8.852 -4.727 20.759 1.00 0.00 C ATOM 275 NE ARG A 125 10.008 -3.922 21.146 1.00 0.00 N ATOM 276 CZ ARG A 125 9.989 -3.014 22.119 1.00 0.00 C ATOM 277 NH1 ARG A 125 8.874 -2.790 22.804 1.00 0.00 N ATOM 278 NH2 ARG A 125 11.085 -2.329 22.408 1.00 0.00 N ATOM 0 H ARG A 125 9.570 -4.308 17.575 1.00 0.00 H new ATOM 0 HA ARG A 125 7.245 -6.049 17.193 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.048 -4.498 18.927 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.985 -5.861 19.506 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.462 -3.284 19.218 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.239 -3.339 20.472 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.323 -5.056 21.654 1.00 0.00 H new ATOM 0 HD3 ARG A 125 9.192 -5.624 20.242 1.00 0.00 H new ATOM 0 HE ARG A 125 10.882 -4.064 20.640 1.00 0.00 H new ATOM 0 HH11 ARG A 125 8.027 -3.315 22.585 1.00 0.00 H new ATOM 0 HH12 ARG A 125 8.864 -2.093 23.549 1.00 0.00 H new ATOM 0 HH21 ARG A 125 11.944 -2.497 21.885 1.00 0.00 H new ATOM 0 HH22 ARG A 125 11.070 -1.633 23.154 1.00 0.00 H new ATOM 292 N VAL A 126 7.892 -3.774 15.592 1.00 0.00 N ATOM 293 CA VAL A 126 7.607 -2.753 14.617 1.00 0.00 C ATOM 294 C VAL A 126 7.716 -3.366 13.228 1.00 0.00 C ATOM 295 O VAL A 126 8.672 -4.079 12.914 1.00 0.00 O ATOM 296 CB VAL A 126 8.645 -1.620 14.723 1.00 0.00 C ATOM 297 CG1 VAL A 126 8.292 -0.479 13.781 1.00 0.00 C ATOM 298 CG2 VAL A 126 8.751 -1.124 16.157 1.00 0.00 C ATOM 0 H VAL A 126 8.718 -4.330 15.370 1.00 0.00 H new ATOM 0 HA VAL A 126 6.608 -2.355 14.794 1.00 0.00 H new ATOM 0 HB VAL A 126 9.617 -2.016 14.427 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.037 0.311 13.871 1.00 0.00 H new ATOM 0 HG12 VAL A 126 8.275 -0.846 12.755 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.310 -0.083 14.041 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.489 -0.324 16.212 1.00 0.00 H new ATOM 0 HG22 VAL A 126 7.782 -0.747 16.484 1.00 0.00 H new ATOM 0 HG23 VAL A 126 9.058 -1.945 16.804 1.00 0.00 H new ATOM 308 N HIS A 127 6.765 -3.021 12.390 1.00 0.00 N ATOM 309 CA HIS A 127 6.735 -3.490 11.008 1.00 0.00 C ATOM 310 C HIS A 127 7.042 -2.347 10.045 1.00 0.00 C ATOM 311 O HIS A 127 6.489 -1.254 10.161 1.00 0.00 O ATOM 312 CB HIS A 127 5.338 -4.042 10.707 1.00 0.00 C ATOM 313 CG HIS A 127 4.736 -4.808 11.842 1.00 0.00 C ATOM 314 ND1 HIS A 127 5.414 -5.795 12.524 1.00 0.00 N ATOM 315 CD2 HIS A 127 3.515 -4.723 12.423 1.00 0.00 C ATOM 316 CE1 HIS A 127 4.638 -6.285 13.473 1.00 0.00 C ATOM 317 NE2 HIS A 127 3.481 -5.651 13.434 1.00 0.00 N ATOM 0 H HIS A 127 5.988 -2.409 12.639 1.00 0.00 H new ATOM 0 HA HIS A 127 7.489 -4.266 10.878 1.00 0.00 H new ATOM 0 HB2 HIS A 127 4.678 -3.214 10.449 1.00 0.00 H new ATOM 0 HB3 HIS A 127 5.394 -4.690 9.832 1.00 0.00 H new ATOM 0 HD2 HIS A 127 2.717 -4.051 12.143 1.00 0.00 H new ATOM 0 HE1 HIS A 127 4.905 -7.071 14.164 1.00 0.00 H new ATOM 0 HE2 HIS A 127 2.690 -5.823 14.054 1.00 0.00 H new ATOM 325 N LEU A 128 7.859 -2.641 9.042 1.00 0.00 N ATOM 326 CA LEU A 128 8.208 -1.686 8.019 1.00 0.00 C ATOM 327 C LEU A 128 7.984 -2.334 6.664 1.00 0.00 C ATOM 328 O LEU A 128 8.390 -3.472 6.428 1.00 0.00 O ATOM 329 CB LEU A 128 9.684 -1.312 8.167 1.00 0.00 C ATOM 330 CG LEU A 128 10.117 -0.068 7.389 1.00 0.00 C ATOM 331 CD1 LEU A 128 9.665 1.194 8.107 1.00 0.00 C ATOM 332 CD2 LEU A 128 11.625 -0.062 7.193 1.00 0.00 C ATOM 0 H LEU A 128 8.296 -3.555 8.922 1.00 0.00 H new ATOM 0 HA LEU A 128 7.596 -0.788 8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 128 9.899 -1.154 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.292 -2.156 7.841 1.00 0.00 H new ATOM 0 HG LEU A 128 9.643 -0.092 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 128 9.982 2.069 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.579 1.193 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.110 1.226 9.101 1.00 0.00 H new ATOM 0 HD21 LEU A 128 11.916 0.830 6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 128 12.118 -0.061 8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 128 11.923 -0.950 6.635 1.00 0.00 H new ATOM 344 N LEU A 129 7.407 -1.575 5.759 1.00 0.00 N ATOM 345 CA LEU A 129 7.171 -2.040 4.414 1.00 0.00 C ATOM 346 C LEU A 129 7.966 -1.193 3.441 1.00 0.00 C ATOM 347 O LEU A 129 7.965 0.036 3.508 1.00 0.00 O ATOM 348 CB LEU A 129 5.678 -1.926 4.103 1.00 0.00 C ATOM 349 CG LEU A 129 5.286 -2.302 2.673 1.00 0.00 C ATOM 350 CD1 LEU A 129 5.450 -3.797 2.451 1.00 0.00 C ATOM 351 CD2 LEU A 129 3.856 -1.872 2.383 1.00 0.00 C ATOM 0 H LEU A 129 7.090 -0.622 5.936 1.00 0.00 H new ATOM 0 HA LEU A 129 7.484 -3.080 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 129 5.128 -2.565 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 129 5.360 -0.901 4.294 1.00 0.00 H new ATOM 0 HG LEU A 129 5.949 -1.778 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 129 5.167 -4.046 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 129 6.490 -4.078 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 129 4.811 -4.340 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 129 3.593 -2.147 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 129 3.179 -2.368 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 129 3.770 -0.792 2.501 1.00 0.00 H new ATOM 363 N LYS A 130 8.577 -1.862 2.502 1.00 0.00 N ATOM 364 CA LYS A 130 9.350 -1.226 1.465 1.00 0.00 C ATOM 365 C LYS A 130 8.917 -1.771 0.117 1.00 0.00 C ATOM 366 O LYS A 130 8.784 -2.981 -0.069 1.00 0.00 O ATOM 367 CB LYS A 130 10.831 -1.537 1.684 1.00 0.00 C ATOM 368 CG LYS A 130 11.766 -0.494 1.091 1.00 0.00 C ATOM 369 CD LYS A 130 12.871 -1.137 0.268 1.00 0.00 C ATOM 370 CE LYS A 130 14.150 -0.317 0.318 1.00 0.00 C ATOM 371 NZ LYS A 130 15.021 -0.716 1.459 1.00 0.00 N ATOM 0 H LYS A 130 8.553 -2.879 2.433 1.00 0.00 H new ATOM 0 HA LYS A 130 9.192 -0.148 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 130 11.022 -1.618 2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 130 11.059 -2.508 1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 130 11.196 0.192 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.206 0.099 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 130 13.067 -2.142 0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.543 -1.240 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 130 14.697 -0.440 -0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 130 13.900 0.740 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.883 -0.134 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.509 -0.575 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 15.281 -1.719 1.364 1.00 0.00 H new ATOM 385 N CYS A 131 8.791 -0.880 -0.837 1.00 0.00 N ATOM 386 CA CYS A 131 8.449 -1.244 -2.188 1.00 0.00 C ATOM 387 C CYS A 131 9.576 -0.793 -3.082 1.00 0.00 C ATOM 388 O CYS A 131 10.047 0.351 -2.976 1.00 0.00 O ATOM 389 CB CYS A 131 7.149 -0.542 -2.591 1.00 0.00 C ATOM 390 SG CYS A 131 6.563 -0.955 -4.270 1.00 0.00 S ATOM 0 H CYS A 131 8.924 0.121 -0.696 1.00 0.00 H new ATOM 0 HA CYS A 131 8.304 -2.321 -2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.371 -0.802 -1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.296 0.536 -2.525 1.00 0.00 H new ATOM 395 N MET A 132 9.960 -1.662 -4.000 1.00 0.00 N ATOM 396 CA MET A 132 11.008 -1.336 -4.932 1.00 0.00 C ATOM 397 C MET A 132 10.432 -1.145 -6.317 1.00 0.00 C ATOM 398 O MET A 132 9.676 -1.978 -6.828 1.00 0.00 O ATOM 399 CB MET A 132 12.054 -2.454 -4.947 1.00 0.00 C ATOM 400 CG MET A 132 13.473 -1.960 -4.721 1.00 0.00 C ATOM 401 SD MET A 132 14.072 -0.923 -6.069 1.00 0.00 S ATOM 402 CE MET A 132 14.811 0.428 -5.154 1.00 0.00 C ATOM 0 H MET A 132 9.560 -2.593 -4.115 1.00 0.00 H new ATOM 0 HA MET A 132 11.484 -0.407 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 132 11.805 -3.184 -4.177 1.00 0.00 H new ATOM 0 HB3 MET A 132 12.006 -2.972 -5.905 1.00 0.00 H new ATOM 0 HG2 MET A 132 13.513 -1.396 -3.789 1.00 0.00 H new ATOM 0 HG3 MET A 132 14.137 -2.816 -4.604 1.00 0.00 H new ATOM 0 HE1 MET A 132 15.227 1.155 -5.851 1.00 0.00 H new ATOM 0 HE2 MET A 132 14.051 0.909 -4.539 1.00 0.00 H new ATOM 0 HE3 MET A 132 15.605 0.043 -4.515 1.00 0.00 H new ATOM 412 N ALA A 133 10.838 -0.028 -6.897 1.00 0.00 N ATOM 413 CA ALA A 133 10.432 0.406 -8.237 1.00 0.00 C ATOM 414 C ALA A 133 10.046 1.871 -8.164 1.00 0.00 C ATOM 415 O ALA A 133 10.348 2.665 -9.055 1.00 0.00 O ATOM 416 CB ALA A 133 9.273 -0.419 -8.785 1.00 0.00 C ATOM 0 H ALA A 133 11.477 0.625 -6.442 1.00 0.00 H new ATOM 0 HA ALA A 133 11.268 0.260 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 133 9.009 -0.059 -9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 133 9.568 -1.467 -8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 133 8.412 -0.322 -8.123 1.00 0.00 H new ATOM 422 N CYS A 134 9.395 2.214 -7.059 1.00 0.00 N ATOM 423 CA CYS A 134 8.972 3.577 -6.791 1.00 0.00 C ATOM 424 C CYS A 134 9.731 4.130 -5.585 1.00 0.00 C ATOM 425 O CYS A 134 9.677 5.326 -5.300 1.00 0.00 O ATOM 426 CB CYS A 134 7.465 3.616 -6.520 1.00 0.00 C ATOM 427 SG CYS A 134 6.968 2.798 -4.966 1.00 0.00 S ATOM 0 H CYS A 134 9.147 1.551 -6.324 1.00 0.00 H new ATOM 0 HA CYS A 134 9.191 4.193 -7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 134 7.138 4.655 -6.492 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.944 3.141 -7.351 1.00 0.00 H new ATOM 432 N GLY A 135 10.429 3.242 -4.870 1.00 0.00 N ATOM 433 CA GLY A 135 11.174 3.651 -3.697 1.00 0.00 C ATOM 434 C GLY A 135 10.272 4.278 -2.660 1.00 0.00 C ATOM 435 O GLY A 135 10.359 5.477 -2.397 1.00 0.00 O ATOM 0 H GLY A 135 10.488 2.247 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 135 11.680 2.787 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.948 4.362 -3.986 1.00 0.00 H new ATOM 439 N ALA A 136 9.382 3.475 -2.082 1.00 0.00 N ATOM 440 CA ALA A 136 8.446 3.997 -1.086 1.00 0.00 C ATOM 441 C ALA A 136 8.552 3.246 0.235 1.00 0.00 C ATOM 442 O ALA A 136 8.569 2.017 0.259 1.00 0.00 O ATOM 443 CB ALA A 136 7.035 3.866 -1.639 1.00 0.00 C ATOM 0 H ALA A 136 9.288 2.479 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 136 8.689 5.041 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 136 6.321 4.250 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 136 6.952 4.437 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 136 6.819 2.817 -1.840 1.00 0.00 H new ATOM 449 N ILE A 137 8.525 3.985 1.340 1.00 0.00 N ATOM 450 CA ILE A 137 8.557 3.369 2.660 1.00 0.00 C ATOM 451 C ILE A 137 7.346 3.799 3.484 1.00 0.00 C ATOM 452 O ILE A 137 7.017 4.982 3.559 1.00 0.00 O ATOM 453 CB ILE A 137 9.835 3.800 3.405 1.00 0.00 C ATOM 454 CG1 ILE A 137 11.064 3.606 2.514 1.00 0.00 C ATOM 455 CG2 ILE A 137 9.983 3.013 4.699 1.00 0.00 C ATOM 456 CD1 ILE A 137 11.386 4.813 1.660 1.00 0.00 C ATOM 0 H ILE A 137 8.481 5.004 1.347 1.00 0.00 H new ATOM 0 HA ILE A 137 8.541 2.287 2.531 1.00 0.00 H new ATOM 0 HB ILE A 137 9.754 4.859 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 137 11.925 3.374 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 137 10.901 2.745 1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 137 10.890 3.328 5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 137 9.120 3.198 5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 137 10.045 1.949 4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 137 12.268 4.605 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 137 10.541 5.033 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 137 11.581 5.672 2.302 1.00 0.00 H new ATOM 468 N ARG A 138 6.733 2.833 4.161 1.00 0.00 N ATOM 469 CA ARG A 138 5.587 3.097 5.018 1.00 0.00 C ATOM 470 C ARG A 138 5.789 2.460 6.395 1.00 0.00 C ATOM 471 O ARG A 138 6.181 1.294 6.500 1.00 0.00 O ATOM 472 CB ARG A 138 4.341 2.493 4.365 1.00 0.00 C ATOM 473 CG ARG A 138 3.502 3.509 3.603 1.00 0.00 C ATOM 474 CD ARG A 138 2.046 3.476 4.041 1.00 0.00 C ATOM 475 NE ARG A 138 1.903 3.649 5.486 1.00 0.00 N ATOM 476 CZ ARG A 138 0.784 4.057 6.078 1.00 0.00 C ATOM 477 NH1 ARG A 138 -0.297 4.334 5.356 1.00 0.00 N ATOM 478 NH2 ARG A 138 0.742 4.188 7.397 1.00 0.00 N ATOM 0 H ARG A 138 7.015 1.853 4.130 1.00 0.00 H new ATOM 0 HA ARG A 138 5.472 4.174 5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.646 1.700 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.725 2.030 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.907 4.508 3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 138 3.565 3.305 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 138 1.495 4.263 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 138 1.600 2.527 3.744 1.00 0.00 H new ATOM 0 HE ARG A 138 2.710 3.444 6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -0.272 4.234 4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -1.152 4.646 5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 138 1.568 3.976 7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -0.116 4.501 7.851 1.00 0.00 H new ATOM 492 N PRO A 139 5.445 3.196 7.470 1.00 0.00 N ATOM 493 CA PRO A 139 5.537 2.708 8.837 1.00 0.00 C ATOM 494 C PRO A 139 4.223 2.105 9.324 1.00 0.00 C ATOM 495 O PRO A 139 3.153 2.680 9.119 1.00 0.00 O ATOM 496 CB PRO A 139 5.848 3.989 9.600 1.00 0.00 C ATOM 497 CG PRO A 139 5.097 5.056 8.864 1.00 0.00 C ATOM 498 CD PRO A 139 4.902 4.565 7.444 1.00 0.00 C ATOM 0 HA PRO A 139 6.271 1.912 8.959 1.00 0.00 H new ATOM 0 HB2 PRO A 139 5.525 3.921 10.639 1.00 0.00 H new ATOM 0 HB3 PRO A 139 6.919 4.194 9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 139 4.136 5.249 9.340 1.00 0.00 H new ATOM 0 HG3 PRO A 139 5.652 5.994 8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 139 3.850 4.573 7.158 1.00 0.00 H new ATOM 0 HD3 PRO A 139 5.432 5.192 6.727 1.00 0.00 H new ATOM 506 N ILE A 140 4.306 0.947 9.968 1.00 0.00 N ATOM 507 CA ILE A 140 3.119 0.274 10.482 1.00 0.00 C ATOM 508 C ILE A 140 3.414 -0.428 11.803 1.00 0.00 C ATOM 509 O ILE A 140 4.563 -0.757 12.100 1.00 0.00 O ATOM 510 CB ILE A 140 2.577 -0.760 9.477 1.00 0.00 C ATOM 511 CG1 ILE A 140 2.474 -0.143 8.081 1.00 0.00 C ATOM 512 CG2 ILE A 140 1.221 -1.280 9.933 1.00 0.00 C ATOM 513 CD1 ILE A 140 2.049 -1.128 7.015 1.00 0.00 C ATOM 0 H ILE A 140 5.181 0.455 10.147 1.00 0.00 H new ATOM 0 HA ILE A 140 2.365 1.045 10.641 1.00 0.00 H new ATOM 0 HB ILE A 140 3.271 -1.599 9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 140 1.761 0.681 8.108 1.00 0.00 H new ATOM 0 HG13 ILE A 140 3.440 0.281 7.808 1.00 0.00 H new ATOM 0 HG21 ILE A 140 0.850 -2.010 9.213 1.00 0.00 H new ATOM 0 HG22 ILE A 140 1.322 -1.753 10.910 1.00 0.00 H new ATOM 0 HG23 ILE A 140 0.518 -0.450 10.003 1.00 0.00 H new ATOM 0 HD11 ILE A 140 1.997 -0.621 6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 140 2.774 -1.940 6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 140 1.069 -1.534 7.265 1.00 0.00 H new ATOM 525 N ARG A 141 2.370 -0.656 12.592 1.00 0.00 N ATOM 526 CA ARG A 141 2.517 -1.319 13.882 1.00 0.00 C ATOM 527 C ARG A 141 1.162 -1.768 14.420 1.00 0.00 C ATOM 528 O ARG A 141 0.230 -0.971 14.527 1.00 0.00 O ATOM 529 CB ARG A 141 3.191 -0.382 14.884 1.00 0.00 C ATOM 530 CG ARG A 141 2.540 0.988 14.966 1.00 0.00 C ATOM 531 CD ARG A 141 2.814 1.656 16.303 1.00 0.00 C ATOM 532 NE ARG A 141 2.214 2.986 16.384 1.00 0.00 N ATOM 533 CZ ARG A 141 0.909 3.203 16.541 1.00 0.00 C ATOM 534 NH1 ARG A 141 0.066 2.183 16.633 1.00 0.00 N ATOM 535 NH2 ARG A 141 0.447 4.444 16.606 1.00 0.00 N ATOM 0 H ARG A 141 1.412 -0.391 12.361 1.00 0.00 H new ATOM 0 HA ARG A 141 3.142 -2.201 13.741 1.00 0.00 H new ATOM 0 HB2 ARG A 141 3.172 -0.844 15.871 1.00 0.00 H new ATOM 0 HB3 ARG A 141 4.239 -0.262 14.609 1.00 0.00 H new ATOM 0 HG2 ARG A 141 2.914 1.619 14.160 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.464 0.890 14.821 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.423 1.032 17.107 1.00 0.00 H new ATOM 0 HD3 ARG A 141 3.890 1.734 16.455 1.00 0.00 H new ATOM 0 HE ARG A 141 2.831 3.796 16.316 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.416 1.226 16.584 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.932 2.356 16.753 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.091 5.232 16.536 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.552 4.611 16.726 1.00 0.00 H new ATOM 549 N MET A 142 1.060 -3.050 14.758 1.00 0.00 N ATOM 550 CA MET A 142 -0.181 -3.605 15.286 1.00 0.00 C ATOM 551 C MET A 142 -0.039 -3.939 16.767 1.00 0.00 C ATOM 552 O MET A 142 -0.976 -3.768 17.547 1.00 0.00 O ATOM 553 CB MET A 142 -0.580 -4.857 14.501 1.00 0.00 C ATOM 554 CG MET A 142 -1.768 -4.640 13.574 1.00 0.00 C ATOM 555 SD MET A 142 -1.405 -5.074 11.862 1.00 0.00 S ATOM 556 CE MET A 142 -0.067 -3.939 11.501 1.00 0.00 C ATOM 0 H MET A 142 1.822 -3.723 14.676 1.00 0.00 H new ATOM 0 HA MET A 142 -0.963 -2.854 15.176 1.00 0.00 H new ATOM 0 HB2 MET A 142 0.273 -5.194 13.912 1.00 0.00 H new ATOM 0 HB3 MET A 142 -0.818 -5.656 15.203 1.00 0.00 H new ATOM 0 HG2 MET A 142 -2.610 -5.236 13.925 1.00 0.00 H new ATOM 0 HG3 MET A 142 -2.075 -3.595 13.622 1.00 0.00 H new ATOM 0 HE1 MET A 142 -0.276 -3.415 10.568 1.00 0.00 H new ATOM 0 HE2 MET A 142 0.025 -3.215 12.311 1.00 0.00 H new ATOM 0 HE3 MET A 142 0.865 -4.495 11.404 1.00 0.00 H new ATOM 566 N ILE A 143 1.141 -4.417 17.150 1.00 0.00 N ATOM 567 CA ILE A 143 1.407 -4.777 18.537 1.00 0.00 C ATOM 568 C ILE A 143 1.964 -3.589 19.315 1.00 0.00 C ATOM 569 O ILE A 143 1.100 -3.000 19.000 1.00 0.00 O ATOM 570 CB ILE A 143 2.398 -5.956 18.630 1.00 0.00 C ATOM 571 CG1 ILE A 143 2.594 -6.377 20.089 1.00 0.00 C ATOM 572 CG2 ILE A 143 3.731 -5.585 17.996 1.00 0.00 C ATOM 573 CD1 ILE A 143 1.387 -7.069 20.684 1.00 0.00 C ATOM 574 OXT ILE A 143 1.000 -3.100 19.100 1.00 0.00 O ATOM 0 H ILE A 143 1.928 -4.564 16.518 1.00 0.00 H new ATOM 0 HA ILE A 143 0.456 -5.079 18.977 1.00 0.00 H new ATOM 0 HB ILE A 143 1.981 -6.801 18.081 1.00 0.00 H new ATOM 0 HG12 ILE A 143 3.454 -7.043 20.154 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.828 -5.495 20.685 1.00 0.00 H new ATOM 0 HG21 ILE A 143 4.417 -6.429 18.071 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.577 -5.334 16.946 1.00 0.00 H new ATOM 0 HG23 ILE A 143 4.155 -4.726 18.516 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.596 -7.339 21.719 1.00 0.00 H new ATOM 0 HD12 ILE A 143 0.529 -6.397 20.651 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.165 -7.970 20.112 1.00 0.00 H new TER 586 ILE A 143 HETATM 587 ZN ZN A 144 5.698 0.895 -5.411 1.00 0.00 ZN