USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=6 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 Single : A 115 LYS NZ :NH3+ -162:sc= 0.0114 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.298) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-3.1!) USER MOD Single : A 130 LYS NZ :NH3+ -161:sc= -0.0452 (180deg=-0.34) USER MOD Single : A 132 MET CE :methyl 137:sc= -0.539 (180deg=-1.17) USER MOD Single : A 142 MET CE :methyl -156:sc= -0.0793 (180deg=-0.495) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 108 1.137 5.548 -8.052 1.00 0.00 N ATOM 2 CA VAL A 108 0.512 6.236 -6.937 1.00 0.00 C ATOM 3 C VAL A 108 0.009 5.259 -5.870 1.00 0.00 C ATOM 4 O VAL A 108 0.419 5.329 -4.711 1.00 0.00 O ATOM 5 CB VAL A 108 -0.658 7.094 -7.467 1.00 0.00 C ATOM 6 CG1 VAL A 108 -1.828 7.130 -6.489 1.00 0.00 C ATOM 7 CG2 VAL A 108 -0.179 8.504 -7.781 1.00 0.00 C ATOM 0 HA VAL A 108 1.260 6.871 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.018 6.629 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.628 7.744 -6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.196 6.117 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.497 7.554 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.014 9.097 -8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.217 8.964 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.603 8.462 -8.539 1.00 0.00 H new ATOM 17 N ILE A 109 -0.889 4.361 -6.266 1.00 0.00 N ATOM 18 CA ILE A 109 -1.459 3.386 -5.340 1.00 0.00 C ATOM 19 C ILE A 109 -0.388 2.602 -4.609 1.00 0.00 C ATOM 20 O ILE A 109 -0.403 2.469 -3.386 1.00 0.00 O ATOM 21 CB ILE A 109 -2.421 2.415 -6.058 1.00 0.00 C ATOM 22 CG1 ILE A 109 -3.099 1.490 -5.043 1.00 0.00 C ATOM 23 CG2 ILE A 109 -1.681 1.611 -7.118 1.00 0.00 C ATOM 24 CD1 ILE A 109 -3.783 0.293 -5.670 1.00 0.00 C ATOM 0 H ILE A 109 -1.238 4.288 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.025 3.957 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 109 -3.194 2.999 -6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.353 1.139 -4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -3.835 2.063 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.377 0.933 -7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -1.251 2.289 -7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -0.885 1.034 -6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -4.240 -0.315 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -4.553 0.635 -6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -3.049 -0.303 -6.211 1.00 0.00 H new ATOM 36 N CYS A 110 0.530 2.098 -5.382 1.00 0.00 N ATOM 37 CA CYS A 110 1.652 1.311 -4.871 1.00 0.00 C ATOM 38 C CYS A 110 1.175 0.182 -3.955 1.00 0.00 C ATOM 39 O CYS A 110 1.921 -0.291 -3.097 1.00 0.00 O ATOM 40 CB CYS A 110 2.630 2.218 -4.119 1.00 0.00 C ATOM 41 SG CYS A 110 4.173 1.397 -3.597 1.00 0.00 S ATOM 0 H CYS A 110 0.535 2.214 -6.395 1.00 0.00 H new ATOM 0 HA CYS A 110 2.159 0.859 -5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.882 3.066 -4.755 1.00 0.00 H new ATOM 0 HB3 CYS A 110 2.130 2.618 -3.237 1.00 0.00 H new ATOM 46 N ARG A 111 -0.067 -0.255 -4.143 1.00 0.00 N ATOM 47 CA ARG A 111 -0.622 -1.335 -3.333 1.00 0.00 C ATOM 48 C ARG A 111 -0.646 -2.636 -4.123 1.00 0.00 C ATOM 49 O ARG A 111 -0.075 -3.642 -3.701 1.00 0.00 O ATOM 50 CB ARG A 111 -2.035 -0.984 -2.862 1.00 0.00 C ATOM 51 CG ARG A 111 -2.074 0.134 -1.832 1.00 0.00 C ATOM 52 CD ARG A 111 -3.213 -0.055 -0.841 1.00 0.00 C ATOM 53 NE ARG A 111 -2.731 -0.160 0.535 1.00 0.00 N ATOM 54 CZ ARG A 111 -2.318 -1.296 1.095 1.00 0.00 C ATOM 55 NH1 ARG A 111 -2.316 -2.427 0.402 1.00 0.00 N ATOM 56 NH2 ARG A 111 -1.903 -1.299 2.355 1.00 0.00 N ATOM 0 H ARG A 111 -0.705 0.120 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 111 0.016 -1.466 -2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.634 -0.693 -3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -2.499 -1.874 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.126 0.168 -1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.188 1.092 -2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.905 0.784 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -3.772 -0.954 -1.099 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.710 0.688 1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -2.632 -2.432 -0.568 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.998 -3.292 0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.901 -0.433 2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.586 -2.168 2.786 1.00 0.00 H new ATOM 70 N GLU A 112 -1.304 -2.608 -5.276 1.00 0.00 N ATOM 71 CA GLU A 112 -1.395 -3.782 -6.133 1.00 0.00 C ATOM 72 C GLU A 112 -0.258 -3.806 -7.153 1.00 0.00 C ATOM 73 O GLU A 112 -0.252 -4.629 -8.067 1.00 0.00 O ATOM 74 CB GLU A 112 -2.744 -3.811 -6.855 1.00 0.00 C ATOM 75 CG GLU A 112 -3.033 -2.549 -7.653 1.00 0.00 C ATOM 76 CD GLU A 112 -3.627 -2.845 -9.016 1.00 0.00 C ATOM 77 OE1 GLU A 112 -3.174 -3.810 -9.666 1.00 0.00 O ATOM 78 OE2 GLU A 112 -4.548 -2.111 -9.433 1.00 0.00 O ATOM 0 H GLU A 112 -1.783 -1.784 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.309 -4.666 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.769 -4.669 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.537 -3.957 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.720 -1.917 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.110 -1.983 -7.778 1.00 0.00 H new ATOM 85 N CYS A 113 0.705 -2.898 -6.993 1.00 0.00 N ATOM 86 CA CYS A 113 1.842 -2.822 -7.904 1.00 0.00 C ATOM 87 C CYS A 113 2.566 -4.163 -7.983 1.00 0.00 C ATOM 88 O CYS A 113 3.466 -4.442 -7.192 1.00 0.00 O ATOM 89 CB CYS A 113 2.817 -1.720 -7.466 1.00 0.00 C ATOM 90 SG CYS A 113 3.127 -1.653 -5.670 1.00 0.00 S ATOM 0 H CYS A 113 0.719 -2.207 -6.242 1.00 0.00 H new ATOM 0 HA CYS A 113 1.461 -2.576 -8.895 1.00 0.00 H new ATOM 0 HB2 CYS A 113 3.767 -1.867 -7.980 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.425 -0.756 -7.790 1.00 0.00 H new ATOM 95 N GLY A 114 2.163 -4.990 -8.945 1.00 0.00 N ATOM 96 CA GLY A 114 2.782 -6.294 -9.116 1.00 0.00 C ATOM 97 C GLY A 114 3.914 -6.270 -10.125 1.00 0.00 C ATOM 98 O GLY A 114 4.816 -7.107 -10.078 1.00 0.00 O ATOM 0 H GLY A 114 1.418 -4.780 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.163 -6.641 -8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.027 -7.012 -9.438 1.00 0.00 H new ATOM 102 N LYS A 115 3.868 -5.303 -11.037 1.00 0.00 N ATOM 103 CA LYS A 115 4.897 -5.160 -12.062 1.00 0.00 C ATOM 104 C LYS A 115 6.292 -5.033 -11.444 1.00 0.00 C ATOM 105 O LYS A 115 7.263 -5.567 -11.981 1.00 0.00 O ATOM 106 CB LYS A 115 4.604 -3.940 -12.938 1.00 0.00 C ATOM 107 CG LYS A 115 4.875 -4.173 -14.416 1.00 0.00 C ATOM 108 CD LYS A 115 5.808 -3.117 -14.989 1.00 0.00 C ATOM 109 CE LYS A 115 7.227 -3.644 -15.132 1.00 0.00 C ATOM 110 NZ LYS A 115 8.120 -3.136 -14.054 1.00 0.00 N ATOM 0 H LYS A 115 3.126 -4.605 -11.087 1.00 0.00 H new ATOM 0 HA LYS A 115 4.880 -6.060 -12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 115 3.560 -3.653 -12.809 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.210 -3.102 -12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.314 -5.161 -14.554 1.00 0.00 H new ATOM 0 HG3 LYS A 115 3.933 -4.163 -14.965 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.439 -2.794 -15.963 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.808 -2.240 -14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.214 -4.734 -15.109 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.627 -3.351 -16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.113 -3.255 -14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.926 -2.128 -13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.946 -3.670 -13.179 1.00 0.00 H new ATOM 124 N PRO A 116 6.419 -4.322 -10.305 1.00 0.00 N ATOM 125 CA PRO A 116 7.693 -4.132 -9.629 1.00 0.00 C ATOM 126 C PRO A 116 7.926 -5.197 -8.557 1.00 0.00 C ATOM 127 O PRO A 116 7.632 -6.370 -8.783 1.00 0.00 O ATOM 128 CB PRO A 116 7.504 -2.744 -9.030 1.00 0.00 C ATOM 129 CG PRO A 116 6.062 -2.687 -8.654 1.00 0.00 C ATOM 130 CD PRO A 116 5.337 -3.642 -9.572 1.00 0.00 C ATOM 0 HA PRO A 116 8.565 -4.218 -10.277 1.00 0.00 H new ATOM 0 HB2 PRO A 116 8.146 -2.597 -8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 116 7.757 -1.965 -9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 116 5.922 -2.971 -7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 116 5.673 -1.675 -8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.728 -4.351 -9.011 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.667 -3.113 -10.250 1.00 0.00 H new ATOM 138 N ASP A 117 8.447 -4.806 -7.391 1.00 0.00 N ATOM 139 CA ASP A 117 8.688 -5.783 -6.330 1.00 0.00 C ATOM 140 C ASP A 117 8.317 -5.218 -4.966 1.00 0.00 C ATOM 141 O ASP A 117 8.413 -4.011 -4.747 1.00 0.00 O ATOM 142 CB ASP A 117 10.156 -6.217 -6.331 1.00 0.00 C ATOM 143 CG ASP A 117 10.347 -7.603 -6.917 1.00 0.00 C ATOM 144 OD1 ASP A 117 10.209 -8.589 -6.163 1.00 0.00 O ATOM 145 OD2 ASP A 117 10.633 -7.701 -8.129 1.00 0.00 O ATOM 0 H ASP A 117 8.704 -3.846 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 117 8.057 -6.650 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.744 -5.499 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.538 -6.201 -5.310 1.00 0.00 H new ATOM 150 N THR A 118 7.907 -6.083 -4.044 1.00 0.00 N ATOM 151 CA THR A 118 7.545 -5.632 -2.704 1.00 0.00 C ATOM 152 C THR A 118 8.275 -6.449 -1.643 1.00 0.00 C ATOM 153 O THR A 118 8.280 -7.680 -1.679 1.00 0.00 O ATOM 154 CB THR A 118 6.034 -5.769 -2.507 1.00 0.00 C ATOM 155 OG1 THR A 118 5.698 -5.688 -1.132 1.00 0.00 O ATOM 156 CG2 THR A 118 5.470 -7.069 -3.041 1.00 0.00 C ATOM 0 H THR A 118 7.818 -7.088 -4.196 1.00 0.00 H new ATOM 0 HA THR A 118 7.837 -4.587 -2.599 1.00 0.00 H new ATOM 0 HB THR A 118 5.597 -4.946 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.728 -5.776 -1.027 1.00 0.00 H new ATOM 0 HG21 THR A 118 4.394 -7.098 -2.867 1.00 0.00 H new ATOM 0 HG22 THR A 118 5.667 -7.139 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 118 5.942 -7.908 -2.530 1.00 0.00 H new ATOM 164 N LYS A 119 8.866 -5.749 -0.681 1.00 0.00 N ATOM 165 CA LYS A 119 9.596 -6.395 0.406 1.00 0.00 C ATOM 166 C LYS A 119 9.192 -5.787 1.748 1.00 0.00 C ATOM 167 O LYS A 119 9.130 -4.565 1.889 1.00 0.00 O ATOM 168 CB LYS A 119 11.095 -6.169 0.192 1.00 0.00 C ATOM 169 CG LYS A 119 11.881 -7.457 0.009 1.00 0.00 C ATOM 170 CD LYS A 119 13.362 -7.250 0.282 1.00 0.00 C ATOM 171 CE LYS A 119 14.219 -8.189 -0.551 1.00 0.00 C ATOM 172 NZ LYS A 119 13.697 -9.583 -0.528 1.00 0.00 N ATOM 0 H LYS A 119 8.854 -4.730 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 119 9.365 -7.460 0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.238 -5.538 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.498 -5.625 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.490 -8.222 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.746 -7.826 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.633 -6.217 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.564 -7.414 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.255 -7.831 -1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 119 15.242 -8.178 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.444 -10.238 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.399 -9.826 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.883 -9.659 -1.170 1.00 0.00 H new ATOM 186 N ILE A 120 9.005 -6.633 2.756 1.00 0.00 N ATOM 187 CA ILE A 120 8.672 -6.148 4.092 1.00 0.00 C ATOM 188 C ILE A 120 9.735 -6.588 5.097 1.00 0.00 C ATOM 189 O ILE A 120 10.129 -7.753 5.131 1.00 0.00 O ATOM 190 CB ILE A 120 7.312 -6.723 4.531 1.00 0.00 C ATOM 191 CG1 ILE A 120 7.314 -8.250 4.418 1.00 0.00 C ATOM 192 CG2 ILE A 120 6.189 -6.123 3.698 1.00 0.00 C ATOM 193 CD1 ILE A 120 6.940 -8.951 5.707 1.00 0.00 C ATOM 0 H ILE A 120 9.077 -7.647 2.676 1.00 0.00 H new ATOM 0 HA ILE A 120 8.627 -5.059 4.062 1.00 0.00 H new ATOM 0 HB ILE A 120 7.144 -6.458 5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 120 6.617 -8.549 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 120 8.304 -8.582 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 120 5.235 -6.539 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 120 6.176 -5.041 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 120 6.351 -6.358 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 120 6.962 -10.030 5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 120 7.651 -8.681 6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 120 5.937 -8.648 6.009 1.00 0.00 H new ATOM 205 N ILE A 121 10.139 -5.665 5.965 1.00 0.00 N ATOM 206 CA ILE A 121 11.123 -5.964 7.001 1.00 0.00 C ATOM 207 C ILE A 121 10.626 -5.486 8.362 1.00 0.00 C ATOM 208 O ILE A 121 10.154 -4.357 8.493 1.00 0.00 O ATOM 209 CB ILE A 121 12.443 -5.234 6.687 1.00 0.00 C ATOM 210 CG1 ILE A 121 12.885 -5.524 5.251 1.00 0.00 C ATOM 211 CG2 ILE A 121 13.526 -5.646 7.674 1.00 0.00 C ATOM 212 CD1 ILE A 121 13.230 -6.977 5.008 1.00 0.00 C ATOM 0 H ILE A 121 9.800 -4.703 5.972 1.00 0.00 H new ATOM 0 HA ILE A 121 11.279 -7.043 7.024 1.00 0.00 H new ATOM 0 HB ILE A 121 12.278 -4.161 6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 121 12.089 -5.228 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.753 -4.908 5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 121 14.452 -5.121 7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.212 -5.391 8.686 1.00 0.00 H new ATOM 0 HG23 ILE A 121 13.691 -6.721 7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 121 13.535 -7.110 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 121 14.047 -7.272 5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 121 12.357 -7.597 5.212 1.00 0.00 H new ATOM 224 N LYS A 122 10.817 -6.304 9.392 1.00 0.00 N ATOM 225 CA LYS A 122 10.429 -5.910 10.743 1.00 0.00 C ATOM 226 C LYS A 122 11.605 -6.056 11.704 1.00 0.00 C ATOM 227 O LYS A 122 12.287 -7.081 11.716 1.00 0.00 O ATOM 228 CB LYS A 122 9.280 -6.808 11.206 1.00 0.00 C ATOM 229 CG LYS A 122 8.040 -6.711 10.332 1.00 0.00 C ATOM 230 CD LYS A 122 6.946 -7.654 10.812 1.00 0.00 C ATOM 231 CE LYS A 122 5.783 -7.699 9.834 1.00 0.00 C ATOM 232 NZ LYS A 122 4.466 -7.722 10.533 1.00 0.00 N ATOM 0 H LYS A 122 11.233 -7.233 9.320 1.00 0.00 H new ATOM 0 HA LYS A 122 10.116 -4.866 10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.623 -7.843 11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.014 -6.544 12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.668 -5.687 10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.301 -6.949 9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.357 -8.656 10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.589 -7.331 11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.829 -6.831 9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.874 -8.583 9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.700 -7.753 9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.411 -8.563 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.367 -6.866 11.115 1.00 0.00 H new ATOM 246 N GLU A 123 11.789 -5.055 12.559 1.00 0.00 N ATOM 247 CA GLU A 123 12.855 -5.087 13.558 1.00 0.00 C ATOM 248 C GLU A 123 12.284 -4.738 14.925 1.00 0.00 C ATOM 249 O GLU A 123 11.533 -3.771 15.054 1.00 0.00 O ATOM 250 CB GLU A 123 13.916 -4.052 13.179 1.00 0.00 C ATOM 251 CG GLU A 123 14.422 -4.193 11.753 1.00 0.00 C ATOM 252 CD GLU A 123 14.698 -2.854 11.097 1.00 0.00 C ATOM 253 OE1 GLU A 123 13.991 -1.877 11.422 1.00 0.00 O ATOM 254 OE2 GLU A 123 15.620 -2.783 10.258 1.00 0.00 O ATOM 0 H GLU A 123 11.215 -4.212 12.581 1.00 0.00 H new ATOM 0 HA GLU A 123 13.296 -6.083 13.594 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.500 -3.053 13.311 1.00 0.00 H new ATOM 0 HB3 GLU A 123 14.759 -4.140 13.865 1.00 0.00 H new ATOM 0 HG2 GLU A 123 15.335 -4.789 11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.686 -4.738 11.162 1.00 0.00 H new ATOM 261 N GLY A 124 12.689 -5.461 15.959 1.00 0.00 N ATOM 262 CA GLY A 124 12.216 -5.151 17.301 1.00 0.00 C ATOM 263 C GLY A 124 10.699 -5.206 17.431 1.00 0.00 C ATOM 264 O GLY A 124 10.103 -6.278 17.331 1.00 0.00 O ATOM 0 H GLY A 124 13.331 -6.251 15.899 1.00 0.00 H new ATOM 0 HA2 GLY A 124 12.660 -5.853 18.007 1.00 0.00 H new ATOM 0 HA3 GLY A 124 12.562 -4.156 17.580 1.00 0.00 H new ATOM 268 N ARG A 125 10.073 -4.050 17.675 1.00 0.00 N ATOM 269 CA ARG A 125 8.617 -3.981 17.839 1.00 0.00 C ATOM 270 C ARG A 125 7.974 -2.990 16.863 1.00 0.00 C ATOM 271 O ARG A 125 6.860 -2.516 17.090 1.00 0.00 O ATOM 272 CB ARG A 125 8.268 -3.590 19.276 1.00 0.00 C ATOM 273 CG ARG A 125 8.844 -4.534 20.320 1.00 0.00 C ATOM 274 CD ARG A 125 7.834 -5.593 20.731 1.00 0.00 C ATOM 275 NE ARG A 125 8.306 -6.390 21.860 1.00 0.00 N ATOM 276 CZ ARG A 125 9.187 -7.382 21.750 1.00 0.00 C ATOM 277 NH1 ARG A 125 9.693 -7.701 20.566 1.00 0.00 N ATOM 278 NH2 ARG A 125 9.563 -8.057 22.828 1.00 0.00 N ATOM 0 H ARG A 125 10.549 -3.152 17.763 1.00 0.00 H new ATOM 0 HA ARG A 125 8.218 -4.971 17.618 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.634 -2.582 19.469 1.00 0.00 H new ATOM 0 HB3 ARG A 125 7.184 -3.561 19.383 1.00 0.00 H new ATOM 0 HG2 ARG A 125 9.737 -5.016 19.923 1.00 0.00 H new ATOM 0 HG3 ARG A 125 9.153 -3.964 21.197 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.892 -5.112 20.995 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.631 -6.249 19.884 1.00 0.00 H new ATOM 0 HE ARG A 125 7.939 -6.174 22.787 1.00 0.00 H new ATOM 0 HH11 ARG A 125 9.407 -7.185 19.734 1.00 0.00 H new ATOM 0 HH12 ARG A 125 10.368 -8.462 20.488 1.00 0.00 H new ATOM 0 HH21 ARG A 125 9.177 -7.816 23.741 1.00 0.00 H new ATOM 0 HH22 ARG A 125 10.238 -8.817 22.744 1.00 0.00 H new ATOM 292 N VAL A 126 8.676 -2.693 15.779 1.00 0.00 N ATOM 293 CA VAL A 126 8.200 -1.788 14.762 1.00 0.00 C ATOM 294 C VAL A 126 8.376 -2.451 13.402 1.00 0.00 C ATOM 295 O VAL A 126 9.431 -3.004 13.089 1.00 0.00 O ATOM 296 CB VAL A 126 9.020 -0.481 14.792 1.00 0.00 C ATOM 297 CG1 VAL A 126 10.501 -0.762 14.578 1.00 0.00 C ATOM 298 CG2 VAL A 126 8.498 0.500 13.753 1.00 0.00 C ATOM 0 H VAL A 126 9.599 -3.081 15.586 1.00 0.00 H new ATOM 0 HA VAL A 126 7.150 -1.556 14.943 1.00 0.00 H new ATOM 0 HB VAL A 126 8.905 -0.029 15.777 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.057 0.175 14.604 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.864 -1.421 15.367 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.644 -1.242 13.610 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.088 1.416 13.789 1.00 0.00 H new ATOM 0 HG22 VAL A 126 8.577 0.056 12.761 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.454 0.732 13.964 1.00 0.00 H new ATOM 308 N HIS A 127 7.358 -2.319 12.584 1.00 0.00 N ATOM 309 CA HIS A 127 7.372 -2.868 11.231 1.00 0.00 C ATOM 310 C HIS A 127 7.456 -1.751 10.194 1.00 0.00 C ATOM 311 O HIS A 127 6.732 -0.762 10.269 1.00 0.00 O ATOM 312 CB HIS A 127 6.082 -3.664 11.014 1.00 0.00 C ATOM 313 CG HIS A 127 5.659 -4.459 12.211 1.00 0.00 C ATOM 314 ND1 HIS A 127 6.522 -5.265 12.923 1.00 0.00 N ATOM 315 CD2 HIS A 127 4.457 -4.563 12.826 1.00 0.00 C ATOM 316 CE1 HIS A 127 5.870 -5.830 13.922 1.00 0.00 C ATOM 317 NE2 HIS A 127 4.616 -5.421 13.886 1.00 0.00 N ATOM 0 H HIS A 127 6.496 -1.832 12.828 1.00 0.00 H new ATOM 0 HA HIS A 127 8.244 -3.511 11.116 1.00 0.00 H new ATOM 0 HB2 HIS A 127 5.281 -2.975 10.744 1.00 0.00 H new ATOM 0 HB3 HIS A 127 6.220 -4.340 10.170 1.00 0.00 H new ATOM 0 HD2 HIS A 127 3.544 -4.064 12.537 1.00 0.00 H new ATOM 0 HE1 HIS A 127 6.291 -6.512 14.646 1.00 0.00 H new ATOM 0 HE2 HIS A 127 3.883 -5.697 14.540 1.00 0.00 H new ATOM 325 N LEU A 128 8.282 -1.966 9.180 1.00 0.00 N ATOM 326 CA LEU A 128 8.437 -1.032 8.091 1.00 0.00 C ATOM 327 C LEU A 128 8.283 -1.790 6.783 1.00 0.00 C ATOM 328 O LEU A 128 8.867 -2.857 6.594 1.00 0.00 O ATOM 329 CB LEU A 128 9.831 -0.409 8.159 1.00 0.00 C ATOM 330 CG LEU A 128 10.112 0.418 9.414 1.00 0.00 C ATOM 331 CD1 LEU A 128 11.600 0.704 9.542 1.00 0.00 C ATOM 332 CD2 LEU A 128 9.318 1.715 9.385 1.00 0.00 C ATOM 0 H LEU A 128 8.863 -2.800 9.096 1.00 0.00 H new ATOM 0 HA LEU A 128 7.687 -0.244 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.572 -1.206 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.971 0.227 7.285 1.00 0.00 H new ATOM 0 HG LEU A 128 9.798 -0.158 10.284 1.00 0.00 H new ATOM 0 HD11 LEU A 128 11.781 1.294 10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 128 12.147 -0.237 9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 128 11.940 1.260 8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.530 2.291 10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.602 2.296 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 128 8.253 1.489 9.341 1.00 0.00 H new ATOM 344 N LEU A 129 7.564 -1.193 5.862 1.00 0.00 N ATOM 345 CA LEU A 129 7.372 -1.771 4.554 1.00 0.00 C ATOM 346 C LEU A 129 8.052 -0.900 3.518 1.00 0.00 C ATOM 347 O LEU A 129 7.906 0.322 3.509 1.00 0.00 O ATOM 348 CB LEU A 129 5.873 -1.853 4.260 1.00 0.00 C ATOM 349 CG LEU A 129 5.510 -2.565 2.955 1.00 0.00 C ATOM 350 CD1 LEU A 129 4.215 -3.346 3.116 1.00 0.00 C ATOM 351 CD2 LEU A 129 5.392 -1.563 1.818 1.00 0.00 C ATOM 0 H LEU A 129 7.097 -0.296 5.998 1.00 0.00 H new ATOM 0 HA LEU A 129 7.804 -2.771 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 129 5.383 -2.368 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 129 5.468 -0.842 4.230 1.00 0.00 H new ATOM 0 HG LEU A 129 6.307 -3.268 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.972 -3.846 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 129 4.334 -4.090 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 129 3.409 -2.663 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 129 5.133 -2.086 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 129 4.615 -0.836 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.343 -1.047 1.687 1.00 0.00 H new ATOM 363 N LYS A 130 8.735 -1.550 2.617 1.00 0.00 N ATOM 364 CA LYS A 130 9.422 -0.894 1.534 1.00 0.00 C ATOM 365 C LYS A 130 9.056 -1.571 0.225 1.00 0.00 C ATOM 366 O LYS A 130 9.072 -2.797 0.115 1.00 0.00 O ATOM 367 CB LYS A 130 10.931 -1.008 1.758 1.00 0.00 C ATOM 368 CG LYS A 130 11.473 -0.010 2.769 1.00 0.00 C ATOM 369 CD LYS A 130 11.458 1.406 2.218 1.00 0.00 C ATOM 370 CE LYS A 130 12.556 1.614 1.187 1.00 0.00 C ATOM 371 NZ LYS A 130 13.913 1.526 1.794 1.00 0.00 N ATOM 0 H LYS A 130 8.833 -2.565 2.612 1.00 0.00 H new ATOM 0 HA LYS A 130 9.133 0.156 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 130 11.165 -2.018 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 130 11.443 -0.863 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 130 10.876 -0.053 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.492 -0.284 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 130 10.488 1.611 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.585 2.117 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 130 12.461 0.866 0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 130 12.432 2.589 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 14.605 1.978 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 13.914 2.011 2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 14.169 0.527 1.929 1.00 0.00 H new ATOM 385 N CYS A 131 8.824 -0.763 -0.783 1.00 0.00 N ATOM 386 CA CYS A 131 8.529 -1.248 -2.107 1.00 0.00 C ATOM 387 C CYS A 131 9.552 -0.656 -3.047 1.00 0.00 C ATOM 388 O CYS A 131 9.825 0.556 -3.001 1.00 0.00 O ATOM 389 CB CYS A 131 7.121 -0.804 -2.514 1.00 0.00 C ATOM 390 SG CYS A 131 6.545 -1.523 -4.088 1.00 0.00 S ATOM 0 H CYS A 131 8.835 0.254 -0.705 1.00 0.00 H new ATOM 0 HA CYS A 131 8.569 -2.337 -2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.422 -1.077 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.102 0.283 -2.594 1.00 0.00 H new ATOM 395 N MET A 132 10.060 -1.494 -3.936 1.00 0.00 N ATOM 396 CA MET A 132 11.034 -1.058 -4.904 1.00 0.00 C ATOM 397 C MET A 132 10.431 -0.993 -6.294 1.00 0.00 C ATOM 398 O MET A 132 9.787 -1.932 -6.777 1.00 0.00 O ATOM 399 CB MET A 132 12.220 -2.023 -4.901 1.00 0.00 C ATOM 400 CG MET A 132 13.309 -1.648 -3.908 1.00 0.00 C ATOM 401 SD MET A 132 12.703 -1.568 -2.212 1.00 0.00 S ATOM 402 CE MET A 132 12.026 -3.214 -2.016 1.00 0.00 C ATOM 0 H MET A 132 9.809 -2.480 -4.002 1.00 0.00 H new ATOM 0 HA MET A 132 11.369 -0.057 -4.631 1.00 0.00 H new ATOM 0 HB2 MET A 132 11.861 -3.026 -4.671 1.00 0.00 H new ATOM 0 HB3 MET A 132 12.650 -2.060 -5.902 1.00 0.00 H new ATOM 0 HG2 MET A 132 14.117 -2.378 -3.967 1.00 0.00 H new ATOM 0 HG3 MET A 132 13.731 -0.682 -4.185 1.00 0.00 H new ATOM 0 HE1 MET A 132 12.307 -3.609 -1.040 1.00 0.00 H new ATOM 0 HE2 MET A 132 10.939 -3.172 -2.092 1.00 0.00 H new ATOM 0 HE3 MET A 132 12.419 -3.865 -2.797 1.00 0.00 H new ATOM 412 N ALA A 133 10.701 0.154 -6.906 1.00 0.00 N ATOM 413 CA ALA A 133 10.261 0.509 -8.258 1.00 0.00 C ATOM 414 C ALA A 133 9.434 1.776 -8.174 1.00 0.00 C ATOM 415 O ALA A 133 9.618 2.715 -8.949 1.00 0.00 O ATOM 416 CB ALA A 133 9.459 -0.596 -8.917 1.00 0.00 C ATOM 0 H ALA A 133 11.251 0.890 -6.463 1.00 0.00 H new ATOM 0 HA ALA A 133 11.144 0.663 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 133 9.158 -0.281 -9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 133 10.070 -1.496 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 133 8.571 -0.807 -8.320 1.00 0.00 H new ATOM 422 N CYS A 134 8.550 1.802 -7.186 1.00 0.00 N ATOM 423 CA CYS A 134 7.711 2.959 -6.936 1.00 0.00 C ATOM 424 C CYS A 134 8.365 3.823 -5.861 1.00 0.00 C ATOM 425 O CYS A 134 7.995 4.981 -5.668 1.00 0.00 O ATOM 426 CB CYS A 134 6.303 2.539 -6.487 1.00 0.00 C ATOM 427 SG CYS A 134 5.812 0.845 -6.965 1.00 0.00 S ATOM 0 H CYS A 134 8.397 1.026 -6.541 1.00 0.00 H new ATOM 0 HA CYS A 134 7.610 3.526 -7.862 1.00 0.00 H new ATOM 0 HB2 CYS A 134 6.243 2.626 -5.402 1.00 0.00 H new ATOM 0 HB3 CYS A 134 5.581 3.241 -6.903 1.00 0.00 H new ATOM 432 N GLY A 135 9.342 3.239 -5.157 1.00 0.00 N ATOM 433 CA GLY A 135 10.036 3.952 -4.106 1.00 0.00 C ATOM 434 C GLY A 135 9.081 4.449 -3.051 1.00 0.00 C ATOM 435 O GLY A 135 8.882 5.655 -2.905 1.00 0.00 O ATOM 0 H GLY A 135 9.660 2.281 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.777 3.296 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 135 10.578 4.795 -4.534 1.00 0.00 H new ATOM 439 N ALA A 136 8.464 3.524 -2.324 1.00 0.00 N ATOM 440 CA ALA A 136 7.498 3.915 -1.297 1.00 0.00 C ATOM 441 C ALA A 136 7.820 3.291 0.054 1.00 0.00 C ATOM 442 O ALA A 136 8.081 2.094 0.149 1.00 0.00 O ATOM 443 CB ALA A 136 6.114 3.473 -1.747 1.00 0.00 C ATOM 0 H ALA A 136 8.609 2.519 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 136 7.541 4.997 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 136 5.379 3.756 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 136 5.868 3.955 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 136 6.102 2.391 -1.877 1.00 0.00 H new ATOM 449 N ILE A 137 7.704 4.087 1.112 1.00 0.00 N ATOM 450 CA ILE A 137 7.924 3.584 2.462 1.00 0.00 C ATOM 451 C ILE A 137 6.728 3.921 3.348 1.00 0.00 C ATOM 452 O ILE A 137 6.249 5.055 3.361 1.00 0.00 O ATOM 453 CB ILE A 137 9.192 4.233 3.056 1.00 0.00 C ATOM 454 CG1 ILE A 137 9.514 3.626 4.431 1.00 0.00 C ATOM 455 CG2 ILE A 137 9.033 5.747 3.139 1.00 0.00 C ATOM 456 CD1 ILE A 137 8.813 4.298 5.597 1.00 0.00 C ATOM 0 H ILE A 137 7.461 5.076 1.061 1.00 0.00 H new ATOM 0 HA ILE A 137 8.048 2.502 2.419 1.00 0.00 H new ATOM 0 HB ILE A 137 10.033 4.025 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 137 9.243 2.570 4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 137 10.591 3.677 4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 137 9.938 6.185 3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 137 8.865 6.151 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 137 8.182 5.989 3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 137 9.099 3.805 6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 137 9.103 5.348 5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 137 7.734 4.224 5.464 1.00 0.00 H new ATOM 468 N ARG A 138 6.296 2.946 4.140 1.00 0.00 N ATOM 469 CA ARG A 138 5.184 3.139 5.060 1.00 0.00 C ATOM 470 C ARG A 138 5.553 2.656 6.464 1.00 0.00 C ATOM 471 O ARG A 138 6.096 1.560 6.633 1.00 0.00 O ATOM 472 CB ARG A 138 3.987 2.334 4.554 1.00 0.00 C ATOM 473 CG ARG A 138 3.119 3.092 3.563 1.00 0.00 C ATOM 474 CD ARG A 138 1.693 2.565 3.550 1.00 0.00 C ATOM 475 NE ARG A 138 1.389 1.838 2.320 1.00 0.00 N ATOM 476 CZ ARG A 138 1.749 0.576 2.096 1.00 0.00 C ATOM 477 NH1 ARG A 138 2.422 -0.104 3.015 1.00 0.00 N ATOM 478 NH2 ARG A 138 1.433 -0.010 0.948 1.00 0.00 N ATOM 0 H ARG A 138 6.702 2.010 4.162 1.00 0.00 H new ATOM 0 HA ARG A 138 4.942 4.201 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.348 1.420 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.375 2.034 5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.114 4.151 3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 138 3.548 3.008 2.564 1.00 0.00 H new ATOM 0 HD2 ARG A 138 1.542 1.908 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 138 0.998 3.397 3.660 1.00 0.00 H new ATOM 0 HE ARG A 138 0.870 2.326 1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 138 2.667 0.340 3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 138 2.694 -1.071 2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 138 0.914 0.506 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 138 1.709 -0.977 0.776 1.00 0.00 H new ATOM 492 N PRO A 139 5.186 3.437 7.502 1.00 0.00 N ATOM 493 CA PRO A 139 5.425 3.089 8.893 1.00 0.00 C ATOM 494 C PRO A 139 4.220 2.402 9.532 1.00 0.00 C ATOM 495 O PRO A 139 3.083 2.845 9.366 1.00 0.00 O ATOM 496 CB PRO A 139 5.644 4.462 9.516 1.00 0.00 C ATOM 497 CG PRO A 139 4.729 5.371 8.753 1.00 0.00 C ATOM 498 CD PRO A 139 4.471 4.722 7.407 1.00 0.00 C ATOM 0 HA PRO A 139 6.248 2.387 9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 139 5.404 4.458 10.579 1.00 0.00 H new ATOM 0 HB3 PRO A 139 6.683 4.778 9.425 1.00 0.00 H new ATOM 0 HG2 PRO A 139 3.794 5.519 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 139 5.182 6.354 8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 139 3.405 4.576 7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 139 4.850 5.333 6.588 1.00 0.00 H new ATOM 506 N ILE A 140 4.473 1.322 10.260 1.00 0.00 N ATOM 507 CA ILE A 140 3.407 0.578 10.922 1.00 0.00 C ATOM 508 C ILE A 140 3.824 0.153 12.326 1.00 0.00 C ATOM 509 O ILE A 140 4.807 -0.564 12.502 1.00 0.00 O ATOM 510 CB ILE A 140 3.010 -0.672 10.114 1.00 0.00 C ATOM 511 CG1 ILE A 140 2.783 -0.308 8.646 1.00 0.00 C ATOM 512 CG2 ILE A 140 1.763 -1.311 10.707 1.00 0.00 C ATOM 513 CD1 ILE A 140 1.643 0.664 8.433 1.00 0.00 C ATOM 0 H ILE A 140 5.407 0.941 10.408 1.00 0.00 H new ATOM 0 HA ILE A 140 2.548 1.246 10.988 1.00 0.00 H new ATOM 0 HB ILE A 140 3.825 -1.394 10.166 1.00 0.00 H new ATOM 0 HG12 ILE A 140 3.698 0.124 8.242 1.00 0.00 H new ATOM 0 HG13 ILE A 140 2.584 -1.219 8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 140 1.495 -2.193 10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 140 1.959 -1.602 11.739 1.00 0.00 H new ATOM 0 HG23 ILE A 140 0.941 -0.596 10.682 1.00 0.00 H new ATOM 0 HD11 ILE A 140 1.540 0.877 7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 140 0.717 0.227 8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 140 1.849 1.590 8.970 1.00 0.00 H new ATOM 525 N ARG A 141 3.065 0.599 13.322 1.00 0.00 N ATOM 526 CA ARG A 141 3.353 0.264 14.712 1.00 0.00 C ATOM 527 C ARG A 141 2.170 0.613 15.610 1.00 0.00 C ATOM 528 O ARG A 141 1.902 1.785 15.872 1.00 0.00 O ATOM 529 CB ARG A 141 4.605 1.002 15.188 1.00 0.00 C ATOM 530 CG ARG A 141 5.331 0.298 16.325 1.00 0.00 C ATOM 531 CD ARG A 141 5.618 1.247 17.480 1.00 0.00 C ATOM 532 NE ARG A 141 5.439 0.600 18.777 1.00 0.00 N ATOM 533 CZ ARG A 141 5.675 1.198 19.942 1.00 0.00 C ATOM 534 NH1 ARG A 141 6.099 2.455 19.977 1.00 0.00 N ATOM 535 NH2 ARG A 141 5.487 0.537 21.077 1.00 0.00 N ATOM 0 H ARG A 141 2.246 1.193 13.192 1.00 0.00 H new ATOM 0 HA ARG A 141 3.529 -0.810 14.773 1.00 0.00 H new ATOM 0 HB2 ARG A 141 5.290 1.119 14.348 1.00 0.00 H new ATOM 0 HB3 ARG A 141 4.325 2.004 15.512 1.00 0.00 H new ATOM 0 HG2 ARG A 141 4.727 -0.537 16.681 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.267 -0.120 15.956 1.00 0.00 H new ATOM 0 HD2 ARG A 141 6.639 1.619 17.398 1.00 0.00 H new ATOM 0 HD3 ARG A 141 4.957 2.111 17.412 1.00 0.00 H new ATOM 0 HE ARG A 141 5.114 -0.367 18.791 1.00 0.00 H new ATOM 0 HH11 ARG A 141 6.246 2.968 19.108 1.00 0.00 H new ATOM 0 HH12 ARG A 141 6.278 2.908 20.873 1.00 0.00 H new ATOM 0 HH21 ARG A 141 5.162 -0.429 21.056 1.00 0.00 H new ATOM 0 HH22 ARG A 141 5.668 0.995 21.970 1.00 0.00 H new ATOM 549 N MET A 142 1.466 -0.412 16.076 1.00 0.00 N ATOM 550 CA MET A 142 0.309 -0.215 16.944 1.00 0.00 C ATOM 551 C MET A 142 -0.774 0.586 16.230 1.00 0.00 C ATOM 552 O MET A 142 -0.512 1.246 15.225 1.00 0.00 O ATOM 553 CB MET A 142 0.728 0.498 18.233 1.00 0.00 C ATOM 554 CG MET A 142 0.283 -0.219 19.497 1.00 0.00 C ATOM 555 SD MET A 142 -1.309 0.368 20.105 1.00 0.00 S ATOM 556 CE MET A 142 -0.868 2.005 20.680 1.00 0.00 C ATOM 0 H MET A 142 1.675 -1.388 15.868 1.00 0.00 H new ATOM 0 HA MET A 142 -0.098 -1.194 17.197 1.00 0.00 H new ATOM 0 HB2 MET A 142 1.813 0.600 18.246 1.00 0.00 H new ATOM 0 HB3 MET A 142 0.313 1.506 18.232 1.00 0.00 H new ATOM 0 HG2 MET A 142 0.220 -1.289 19.300 1.00 0.00 H new ATOM 0 HG3 MET A 142 1.037 -0.082 20.272 1.00 0.00 H new ATOM 0 HE1 MET A 142 -1.580 2.328 21.439 1.00 0.00 H new ATOM 0 HE2 MET A 142 0.134 1.982 21.108 1.00 0.00 H new ATOM 0 HE3 MET A 142 -0.889 2.703 19.843 1.00 0.00 H new ATOM 566 N ILE A 143 -1.994 0.523 16.755 1.00 0.00 N ATOM 567 CA ILE A 143 -3.117 1.242 16.166 1.00 0.00 C ATOM 568 C ILE A 143 -2.885 2.750 16.203 1.00 0.00 C ATOM 569 O ILE A 143 -2.000 2.100 16.000 1.00 0.00 O ATOM 570 CB ILE A 143 -4.436 0.919 16.894 1.00 0.00 C ATOM 571 CG1 ILE A 143 -4.336 1.293 18.374 1.00 0.00 C ATOM 572 CG2 ILE A 143 -4.783 -0.554 16.733 1.00 0.00 C ATOM 573 CD1 ILE A 143 -5.053 2.578 18.724 1.00 0.00 C ATOM 574 OXT ILE A 143 -2.100 2.000 16.010 1.00 0.00 O ATOM 0 H ILE A 143 -2.229 -0.018 17.587 1.00 0.00 H new ATOM 0 HA ILE A 143 -3.193 0.914 15.129 1.00 0.00 H new ATOM 0 HB ILE A 143 -5.234 1.511 16.446 1.00 0.00 H new ATOM 0 HG12 ILE A 143 -4.749 0.482 18.974 1.00 0.00 H new ATOM 0 HG13 ILE A 143 -3.285 1.388 18.646 1.00 0.00 H new ATOM 0 HG21 ILE A 143 -5.717 -0.767 17.253 1.00 0.00 H new ATOM 0 HG22 ILE A 143 -4.895 -0.788 15.674 1.00 0.00 H new ATOM 0 HG23 ILE A 143 -3.985 -1.164 17.157 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -4.939 2.780 19.789 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -4.625 3.401 18.151 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -6.112 2.481 18.484 1.00 0.00 H new TER 586 ILE A 143 HETATM 587 ZN ZN A 144 4.893 -0.230 -5.107 1.00 0.00 ZN