USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=3 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 11:sc= 0.12! 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 127 HIS : no HD1:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 130 LYS NZ :NH3+ 167:sc= 0.542 (180deg=0.484) USER MOD Single : A 132 MET CE :methyl -172:sc= 0 (180deg=-0.0187) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 108 -4.816 -1.736 -4.269 1.00 0.00 N ATOM 2 CA VAL A 108 -4.348 -2.545 -5.382 1.00 0.00 C ATOM 3 C VAL A 108 -3.391 -1.763 -6.285 1.00 0.00 C ATOM 4 O VAL A 108 -2.238 -2.155 -6.470 1.00 0.00 O ATOM 5 CB VAL A 108 -5.564 -3.037 -6.195 1.00 0.00 C ATOM 6 CG1 VAL A 108 -5.254 -3.126 -7.685 1.00 0.00 C ATOM 7 CG2 VAL A 108 -6.047 -4.378 -5.666 1.00 0.00 C ATOM 0 HA VAL A 108 -3.797 -3.396 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.360 -2.302 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.137 -3.476 -8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.971 -2.141 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.432 -3.824 -7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.905 -4.712 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.245 -5.112 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.338 -4.273 -4.621 1.00 0.00 H new ATOM 17 N ILE A 109 -3.879 -0.663 -6.850 1.00 0.00 N ATOM 18 CA ILE A 109 -3.073 0.168 -7.741 1.00 0.00 C ATOM 19 C ILE A 109 -1.730 0.506 -7.131 1.00 0.00 C ATOM 20 O ILE A 109 -0.681 0.375 -7.762 1.00 0.00 O ATOM 21 CB ILE A 109 -3.808 1.468 -8.146 1.00 0.00 C ATOM 22 CG1 ILE A 109 -2.941 2.316 -9.083 1.00 0.00 C ATOM 23 CG2 ILE A 109 -4.198 2.270 -6.915 1.00 0.00 C ATOM 24 CD1 ILE A 109 -2.258 1.517 -10.172 1.00 0.00 C ATOM 0 H ILE A 109 -4.831 -0.325 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.906 -0.424 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 109 -4.717 1.189 -8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.563 3.083 -9.544 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.183 2.832 -8.494 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.713 3.180 -7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -4.859 1.673 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.302 2.533 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.663 2.185 -10.795 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -1.608 0.767 -9.720 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -3.010 1.022 -10.787 1.00 0.00 H new ATOM 36 N CYS A 110 -1.794 0.947 -5.907 1.00 0.00 N ATOM 37 CA CYS A 110 -0.610 1.337 -5.142 1.00 0.00 C ATOM 38 C CYS A 110 -0.118 2.712 -5.587 1.00 0.00 C ATOM 39 O CYS A 110 -0.165 3.677 -4.827 1.00 0.00 O ATOM 40 CB CYS A 110 0.511 0.299 -5.313 1.00 0.00 C ATOM 41 SG CYS A 110 1.132 -0.421 -3.757 1.00 0.00 S ATOM 0 H CYS A 110 -2.669 1.052 -5.394 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.885 1.384 -4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.146 -0.507 -5.950 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.344 0.768 -5.838 1.00 0.00 H new ATOM 46 N ARG A 111 0.349 2.783 -6.833 1.00 0.00 N ATOM 47 CA ARG A 111 0.854 4.025 -7.416 1.00 0.00 C ATOM 48 C ARG A 111 1.642 3.719 -8.684 1.00 0.00 C ATOM 49 O ARG A 111 1.249 4.105 -9.786 1.00 0.00 O ATOM 50 CB ARG A 111 1.741 4.779 -6.418 1.00 0.00 C ATOM 51 CG ARG A 111 1.101 6.050 -5.888 1.00 0.00 C ATOM 52 CD ARG A 111 2.069 6.844 -5.025 1.00 0.00 C ATOM 53 NE ARG A 111 1.514 8.135 -4.629 1.00 0.00 N ATOM 54 CZ ARG A 111 1.406 9.180 -5.447 1.00 0.00 C ATOM 55 NH1 ARG A 111 1.820 9.090 -6.706 1.00 0.00 N ATOM 56 NH2 ARG A 111 0.886 10.316 -5.008 1.00 0.00 N ATOM 0 H ARG A 111 0.388 1.983 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 111 0.003 4.659 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.974 4.121 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.686 5.030 -6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.767 6.666 -6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.216 5.797 -5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.318 6.267 -4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.998 7.001 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 111 1.190 8.243 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.222 8.218 -7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.735 9.893 -7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.568 10.391 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.804 11.116 -5.636 1.00 0.00 H new ATOM 70 N GLU A 112 2.747 3.004 -8.516 1.00 0.00 N ATOM 71 CA GLU A 112 3.595 2.613 -9.635 1.00 0.00 C ATOM 72 C GLU A 112 3.968 1.139 -9.512 1.00 0.00 C ATOM 73 O GLU A 112 5.030 0.710 -9.961 1.00 0.00 O ATOM 74 CB GLU A 112 4.857 3.477 -9.678 1.00 0.00 C ATOM 75 CG GLU A 112 4.774 4.626 -10.670 1.00 0.00 C ATOM 76 CD GLU A 112 5.712 5.765 -10.324 1.00 0.00 C ATOM 77 OE1 GLU A 112 5.803 6.117 -9.129 1.00 0.00 O ATOM 78 OE2 GLU A 112 6.356 6.305 -11.248 1.00 0.00 O ATOM 0 H GLU A 112 3.079 2.681 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 112 3.043 2.764 -10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.046 3.880 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 112 5.710 2.848 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.010 4.257 -11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.751 5.000 -10.702 1.00 0.00 H new ATOM 85 N CYS A 113 3.077 0.374 -8.887 1.00 0.00 N ATOM 86 CA CYS A 113 3.277 -1.046 -8.676 1.00 0.00 C ATOM 87 C CYS A 113 2.726 -1.848 -9.853 1.00 0.00 C ATOM 88 O CYS A 113 1.559 -1.698 -10.217 1.00 0.00 O ATOM 89 CB CYS A 113 2.563 -1.442 -7.387 1.00 0.00 C ATOM 90 SG CYS A 113 3.645 -2.131 -6.094 1.00 0.00 S ATOM 0 H CYS A 113 2.196 0.728 -8.514 1.00 0.00 H new ATOM 0 HA CYS A 113 4.343 -1.261 -8.597 1.00 0.00 H new ATOM 0 HB2 CYS A 113 2.054 -0.565 -6.986 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.793 -2.176 -7.626 1.00 0.00 H new ATOM 95 N GLY A 114 3.561 -2.698 -10.446 1.00 0.00 N ATOM 96 CA GLY A 114 3.106 -3.494 -11.572 1.00 0.00 C ATOM 97 C GLY A 114 4.160 -4.447 -12.106 1.00 0.00 C ATOM 98 O GLY A 114 4.207 -4.708 -13.308 1.00 0.00 O ATOM 0 H GLY A 114 4.532 -2.848 -10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.229 -4.067 -11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.791 -2.827 -12.374 1.00 0.00 H new ATOM 102 N LYS A 115 4.998 -4.981 -11.223 1.00 0.00 N ATOM 103 CA LYS A 115 6.034 -5.921 -11.641 1.00 0.00 C ATOM 104 C LYS A 115 6.844 -6.440 -10.450 1.00 0.00 C ATOM 105 O LYS A 115 6.765 -7.623 -10.121 1.00 0.00 O ATOM 106 CB LYS A 115 6.956 -5.280 -12.682 1.00 0.00 C ATOM 107 CG LYS A 115 6.697 -5.763 -14.101 1.00 0.00 C ATOM 108 CD LYS A 115 6.748 -4.618 -15.100 1.00 0.00 C ATOM 109 CE LYS A 115 8.165 -4.374 -15.596 1.00 0.00 C ATOM 110 NZ LYS A 115 8.789 -3.195 -14.935 1.00 0.00 N ATOM 0 H LYS A 115 4.982 -4.782 -10.223 1.00 0.00 H new ATOM 0 HA LYS A 115 5.535 -6.777 -12.096 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.833 -4.197 -12.647 1.00 0.00 H new ATOM 0 HB3 LYS A 115 7.992 -5.492 -12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.438 -6.515 -14.371 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.721 -6.246 -14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.099 -4.843 -15.946 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.363 -3.711 -14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.773 -5.259 -15.409 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.151 -4.220 -16.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.754 -3.062 -15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.223 -2.345 -15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.826 -3.352 -13.908 1.00 0.00 H new ATOM 124 N PRO A 116 7.642 -5.576 -9.786 1.00 0.00 N ATOM 125 CA PRO A 116 8.461 -5.989 -8.637 1.00 0.00 C ATOM 126 C PRO A 116 7.672 -6.819 -7.610 1.00 0.00 C ATOM 127 O PRO A 116 7.412 -7.999 -7.848 1.00 0.00 O ATOM 128 CB PRO A 116 8.942 -4.653 -8.060 1.00 0.00 C ATOM 129 CG PRO A 116 8.991 -3.747 -9.237 1.00 0.00 C ATOM 130 CD PRO A 116 7.824 -4.142 -10.100 1.00 0.00 C ATOM 0 HA PRO A 116 9.279 -6.652 -8.921 1.00 0.00 H new ATOM 0 HB2 PRO A 116 8.259 -4.279 -7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 116 9.921 -4.751 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.917 -2.703 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.932 -3.856 -9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 116 6.933 -3.561 -9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 116 8.034 -3.985 -11.158 1.00 0.00 H new ATOM 138 N ASP A 117 7.293 -6.226 -6.469 1.00 0.00 N ATOM 139 CA ASP A 117 6.544 -6.961 -5.443 1.00 0.00 C ATOM 140 C ASP A 117 6.481 -6.165 -4.143 1.00 0.00 C ATOM 141 O ASP A 117 6.793 -4.976 -4.124 1.00 0.00 O ATOM 142 CB ASP A 117 7.188 -8.329 -5.181 1.00 0.00 C ATOM 143 CG ASP A 117 6.279 -9.479 -5.571 1.00 0.00 C ATOM 144 OD1 ASP A 117 5.423 -9.865 -4.748 1.00 0.00 O ATOM 145 OD2 ASP A 117 6.424 -9.992 -6.701 1.00 0.00 O ATOM 0 H ASP A 117 7.490 -5.253 -6.236 1.00 0.00 H new ATOM 0 HA ASP A 117 5.530 -7.111 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.121 -8.401 -5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 117 7.442 -8.412 -4.124 1.00 0.00 H new ATOM 150 N THR A 118 6.081 -6.822 -3.057 1.00 0.00 N ATOM 151 CA THR A 118 5.989 -6.159 -1.758 1.00 0.00 C ATOM 152 C THR A 118 6.719 -6.967 -0.687 1.00 0.00 C ATOM 153 O THR A 118 6.519 -8.176 -0.563 1.00 0.00 O ATOM 154 CB THR A 118 4.517 -6.008 -1.369 1.00 0.00 C ATOM 155 OG1 THR A 118 3.971 -7.255 -0.976 1.00 0.00 O ATOM 156 CG2 THR A 118 3.654 -5.463 -2.487 1.00 0.00 C ATOM 0 H THR A 118 5.817 -7.807 -3.050 1.00 0.00 H new ATOM 0 HA THR A 118 6.457 -5.177 -1.832 1.00 0.00 H new ATOM 0 HB THR A 118 4.509 -5.295 -0.545 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.693 -7.908 -0.866 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.623 -5.381 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 118 4.018 -4.478 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 118 3.699 -6.136 -3.343 1.00 0.00 H new ATOM 164 N LYS A 119 7.538 -6.284 0.108 1.00 0.00 N ATOM 165 CA LYS A 119 8.285 -6.935 1.181 1.00 0.00 C ATOM 166 C LYS A 119 8.133 -6.161 2.490 1.00 0.00 C ATOM 167 O LYS A 119 8.270 -4.940 2.518 1.00 0.00 O ATOM 168 CB LYS A 119 9.764 -6.973 0.794 1.00 0.00 C ATOM 169 CG LYS A 119 10.111 -8.086 -0.182 1.00 0.00 C ATOM 170 CD LYS A 119 11.159 -7.638 -1.190 1.00 0.00 C ATOM 171 CE LYS A 119 12.186 -8.729 -1.454 1.00 0.00 C ATOM 172 NZ LYS A 119 12.119 -9.228 -2.855 1.00 0.00 N ATOM 0 H LYS A 119 7.701 -5.280 0.030 1.00 0.00 H new ATOM 0 HA LYS A 119 7.898 -7.944 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.040 -6.015 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.364 -7.093 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.480 -8.951 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.211 -8.403 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.671 -7.363 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.663 -6.745 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.185 -8.343 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.021 -9.558 -0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.834 -9.970 -2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.173 -9.620 -3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.302 -8.443 -3.512 1.00 0.00 H new ATOM 186 N ILE A 120 7.938 -6.885 3.586 1.00 0.00 N ATOM 187 CA ILE A 120 7.833 -6.261 4.903 1.00 0.00 C ATOM 188 C ILE A 120 9.014 -6.674 5.776 1.00 0.00 C ATOM 189 O ILE A 120 9.353 -7.855 5.853 1.00 0.00 O ATOM 190 CB ILE A 120 6.527 -6.712 5.587 1.00 0.00 C ATOM 191 CG1 ILE A 120 6.488 -8.238 5.718 1.00 0.00 C ATOM 192 CG2 ILE A 120 5.321 -6.210 4.806 1.00 0.00 C ATOM 193 CD1 ILE A 120 6.463 -8.720 7.152 1.00 0.00 C ATOM 0 H ILE A 120 7.849 -7.901 3.591 1.00 0.00 H new ATOM 0 HA ILE A 120 7.834 -5.178 4.778 1.00 0.00 H new ATOM 0 HB ILE A 120 6.493 -6.283 6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 120 5.607 -8.617 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 120 7.359 -8.660 5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 120 4.406 -6.536 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 120 5.343 -5.121 4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 120 5.350 -6.613 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 120 6.436 -9.810 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 120 7.357 -8.371 7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 120 5.578 -8.327 7.653 1.00 0.00 H new ATOM 205 N ILE A 121 9.593 -5.715 6.495 1.00 0.00 N ATOM 206 CA ILE A 121 10.710 -6.014 7.387 1.00 0.00 C ATOM 207 C ILE A 121 10.464 -5.427 8.765 1.00 0.00 C ATOM 208 O ILE A 121 10.090 -4.262 8.897 1.00 0.00 O ATOM 209 CB ILE A 121 12.010 -5.411 6.825 1.00 0.00 C ATOM 210 CG1 ILE A 121 13.186 -5.687 7.767 1.00 0.00 C ATOM 211 CG2 ILE A 121 11.852 -3.917 6.588 1.00 0.00 C ATOM 212 CD1 ILE A 121 14.302 -6.482 7.122 1.00 0.00 C ATOM 0 H ILE A 121 9.311 -4.735 6.478 1.00 0.00 H new ATOM 0 HA ILE A 121 10.801 -7.098 7.462 1.00 0.00 H new ATOM 0 HB ILE A 121 12.220 -5.888 5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.586 -4.738 8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.823 -6.228 8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 121 12.782 -3.511 6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 121 11.047 -3.745 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.613 -3.422 7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.101 -6.641 7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 121 13.917 -7.446 6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 121 14.692 -5.932 6.265 1.00 0.00 H new ATOM 224 N LYS A 122 10.776 -6.201 9.792 1.00 0.00 N ATOM 225 CA LYS A 122 10.642 -5.723 11.164 1.00 0.00 C ATOM 226 C LYS A 122 11.950 -5.910 11.927 1.00 0.00 C ATOM 227 O LYS A 122 12.562 -6.978 11.881 1.00 0.00 O ATOM 228 CB LYS A 122 9.530 -6.516 11.857 1.00 0.00 C ATOM 229 CG LYS A 122 9.672 -8.023 11.722 1.00 0.00 C ATOM 230 CD LYS A 122 10.345 -8.632 12.942 1.00 0.00 C ATOM 231 CE LYS A 122 10.909 -10.011 12.635 1.00 0.00 C ATOM 232 NZ LYS A 122 12.218 -10.238 13.307 1.00 0.00 N ATOM 0 H LYS A 122 11.122 -7.157 9.706 1.00 0.00 H new ATOM 0 HA LYS A 122 10.397 -4.661 11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.517 -6.256 12.915 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.569 -6.213 11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.688 -8.471 11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 122 10.254 -8.256 10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 122 11.147 -7.977 13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 122 9.626 -8.705 13.758 1.00 0.00 H new ATOM 0 HE2 LYS A 122 10.199 -10.773 12.956 1.00 0.00 H new ATOM 0 HE3 LYS A 122 11.030 -10.122 11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 12.568 -11.189 13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 12.903 -9.526 12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 12.098 -10.158 14.337 1.00 0.00 H new ATOM 246 N GLU A 123 12.333 -4.889 12.687 1.00 0.00 N ATOM 247 CA GLU A 123 13.545 -4.952 13.499 1.00 0.00 C ATOM 248 C GLU A 123 13.229 -4.514 14.923 1.00 0.00 C ATOM 249 O GLU A 123 12.568 -3.496 15.127 1.00 0.00 O ATOM 250 CB GLU A 123 14.588 -4.006 12.899 1.00 0.00 C ATOM 251 CG GLU A 123 15.621 -4.711 12.037 1.00 0.00 C ATOM 252 CD GLU A 123 16.716 -3.778 11.556 1.00 0.00 C ATOM 253 OE1 GLU A 123 16.875 -2.692 12.152 1.00 0.00 O ATOM 254 OE2 GLU A 123 17.412 -4.133 10.583 1.00 0.00 O ATOM 0 H GLU A 123 11.823 -4.009 12.758 1.00 0.00 H new ATOM 0 HA GLU A 123 13.928 -5.972 13.513 1.00 0.00 H new ATOM 0 HB2 GLU A 123 14.080 -3.251 12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 123 15.098 -3.481 13.707 1.00 0.00 H new ATOM 0 HG2 GLU A 123 16.068 -5.526 12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 123 15.125 -5.158 11.175 1.00 0.00 H new ATOM 261 N GLY A 124 13.760 -5.225 15.909 1.00 0.00 N ATOM 262 CA GLY A 124 13.540 -4.839 17.295 1.00 0.00 C ATOM 263 C GLY A 124 12.068 -4.823 17.684 1.00 0.00 C ATOM 264 O GLY A 124 11.396 -5.853 17.631 1.00 0.00 O ATOM 0 H GLY A 124 14.336 -6.057 15.779 1.00 0.00 H new ATOM 0 HA2 GLY A 124 14.075 -5.529 17.947 1.00 0.00 H new ATOM 0 HA3 GLY A 124 13.965 -3.849 17.462 1.00 0.00 H new ATOM 268 N ARG A 125 11.569 -3.652 18.091 1.00 0.00 N ATOM 269 CA ARG A 125 10.171 -3.513 18.505 1.00 0.00 C ATOM 270 C ARG A 125 9.402 -2.542 17.604 1.00 0.00 C ATOM 271 O ARG A 125 8.353 -2.023 17.987 1.00 0.00 O ATOM 272 CB ARG A 125 10.097 -3.040 19.958 1.00 0.00 C ATOM 273 CG ARG A 125 10.931 -3.880 20.913 1.00 0.00 C ATOM 274 CD ARG A 125 10.084 -4.920 21.630 1.00 0.00 C ATOM 275 NE ARG A 125 10.476 -6.282 21.277 1.00 0.00 N ATOM 276 CZ ARG A 125 10.132 -7.358 21.980 1.00 0.00 C ATOM 277 NH1 ARG A 125 9.392 -7.236 23.075 1.00 0.00 N ATOM 278 NH2 ARG A 125 10.532 -8.561 21.589 1.00 0.00 N ATOM 0 H ARG A 125 12.111 -2.789 18.142 1.00 0.00 H new ATOM 0 HA ARG A 125 9.704 -4.494 18.414 1.00 0.00 H new ATOM 0 HB2 ARG A 125 10.431 -2.004 20.012 1.00 0.00 H new ATOM 0 HB3 ARG A 125 9.057 -3.057 20.285 1.00 0.00 H new ATOM 0 HG2 ARG A 125 11.728 -4.377 20.360 1.00 0.00 H new ATOM 0 HG3 ARG A 125 11.409 -3.231 21.647 1.00 0.00 H new ATOM 0 HD2 ARG A 125 10.177 -4.784 22.707 1.00 0.00 H new ATOM 0 HD3 ARG A 125 9.034 -4.768 21.379 1.00 0.00 H new ATOM 0 HE ARG A 125 11.047 -6.416 20.443 1.00 0.00 H new ATOM 0 HH11 ARG A 125 9.084 -6.313 23.382 1.00 0.00 H new ATOM 0 HH12 ARG A 125 9.132 -8.065 23.610 1.00 0.00 H new ATOM 0 HH21 ARG A 125 11.103 -8.661 20.750 1.00 0.00 H new ATOM 0 HH22 ARG A 125 10.269 -9.386 22.128 1.00 0.00 H new ATOM 292 N VAL A 126 9.924 -2.314 16.407 1.00 0.00 N ATOM 293 CA VAL A 126 9.313 -1.435 15.442 1.00 0.00 C ATOM 294 C VAL A 126 9.245 -2.156 14.102 1.00 0.00 C ATOM 295 O VAL A 126 10.220 -2.755 13.646 1.00 0.00 O ATOM 296 CB VAL A 126 10.161 -0.157 15.280 1.00 0.00 C ATOM 297 CG1 VAL A 126 11.582 -0.504 14.854 1.00 0.00 C ATOM 298 CG2 VAL A 126 9.513 0.796 14.284 1.00 0.00 C ATOM 0 H VAL A 126 10.792 -2.742 16.083 1.00 0.00 H new ATOM 0 HA VAL A 126 8.314 -1.161 15.781 1.00 0.00 H new ATOM 0 HB VAL A 126 10.211 0.345 16.246 1.00 0.00 H new ATOM 0 HG11 VAL A 126 12.163 0.412 14.745 1.00 0.00 H new ATOM 0 HG12 VAL A 126 12.044 -1.139 15.610 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.557 -1.033 13.901 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.127 1.691 14.184 1.00 0.00 H new ATOM 0 HG22 VAL A 126 9.427 0.305 13.314 1.00 0.00 H new ATOM 0 HG23 VAL A 126 8.521 1.074 14.639 1.00 0.00 H new ATOM 308 N HIS A 127 8.109 -2.025 13.457 1.00 0.00 N ATOM 309 CA HIS A 127 7.886 -2.625 12.146 1.00 0.00 C ATOM 310 C HIS A 127 7.816 -1.552 11.063 1.00 0.00 C ATOM 311 O HIS A 127 7.132 -0.544 11.215 1.00 0.00 O ATOM 312 CB HIS A 127 6.565 -3.397 12.181 1.00 0.00 C ATOM 313 CG HIS A 127 6.330 -4.128 13.468 1.00 0.00 C ATOM 314 ND1 HIS A 127 7.285 -4.923 14.066 1.00 0.00 N ATOM 315 CD2 HIS A 127 5.243 -4.177 14.275 1.00 0.00 C ATOM 316 CE1 HIS A 127 6.796 -5.429 15.183 1.00 0.00 C ATOM 317 NE2 HIS A 127 5.559 -4.992 15.333 1.00 0.00 N ATOM 0 H HIS A 127 7.311 -1.503 13.818 1.00 0.00 H new ATOM 0 HA HIS A 127 8.715 -3.294 11.914 1.00 0.00 H new ATOM 0 HB2 HIS A 127 5.743 -2.701 12.013 1.00 0.00 H new ATOM 0 HB3 HIS A 127 6.550 -4.112 11.359 1.00 0.00 H new ATOM 0 HD2 HIS A 127 4.303 -3.669 14.116 1.00 0.00 H new ATOM 0 HE1 HIS A 127 7.319 -6.089 15.860 1.00 0.00 H new ATOM 0 HE2 HIS A 127 4.939 -5.223 16.109 1.00 0.00 H new ATOM 325 N LEU A 128 8.455 -1.827 9.933 1.00 0.00 N ATOM 326 CA LEU A 128 8.439 -0.942 8.795 1.00 0.00 C ATOM 327 C LEU A 128 8.038 -1.748 7.570 1.00 0.00 C ATOM 328 O LEU A 128 8.551 -2.841 7.327 1.00 0.00 O ATOM 329 CB LEU A 128 9.837 -0.350 8.597 1.00 0.00 C ATOM 330 CG LEU A 128 10.963 -1.367 8.399 1.00 0.00 C ATOM 331 CD1 LEU A 128 12.054 -0.784 7.512 1.00 0.00 C ATOM 332 CD2 LEU A 128 11.537 -1.793 9.742 1.00 0.00 C ATOM 0 H LEU A 128 9.000 -2.677 9.788 1.00 0.00 H new ATOM 0 HA LEU A 128 7.730 -0.129 8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 128 9.813 0.312 7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.077 0.267 9.463 1.00 0.00 H new ATOM 0 HG LEU A 128 10.552 -2.248 7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 128 12.848 -1.519 7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 128 11.634 -0.526 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 128 12.463 0.112 7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 128 12.337 -2.516 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 128 11.935 -0.921 10.261 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.751 -2.247 10.346 1.00 0.00 H new ATOM 344 N LEU A 129 7.182 -1.161 6.767 1.00 0.00 N ATOM 345 CA LEU A 129 6.737 -1.777 5.546 1.00 0.00 C ATOM 346 C LEU A 129 7.321 -1.030 4.364 1.00 0.00 C ATOM 347 O LEU A 129 7.286 0.198 4.297 1.00 0.00 O ATOM 348 CB LEU A 129 5.208 -1.727 5.493 1.00 0.00 C ATOM 349 CG LEU A 129 4.531 -3.039 5.093 1.00 0.00 C ATOM 350 CD1 LEU A 129 3.101 -3.080 5.607 1.00 0.00 C ATOM 351 CD2 LEU A 129 4.562 -3.214 3.583 1.00 0.00 C ATOM 0 H LEU A 129 6.776 -0.242 6.945 1.00 0.00 H new ATOM 0 HA LEU A 129 7.068 -2.815 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 129 4.835 -1.427 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 129 4.909 -0.952 4.787 1.00 0.00 H new ATOM 0 HG LEU A 129 5.081 -3.863 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.635 -4.021 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.103 -3.000 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.538 -2.248 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 129 4.076 -4.152 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 129 4.036 -2.385 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 129 5.596 -3.230 3.240 1.00 0.00 H new ATOM 363 N LYS A 130 7.787 -1.793 3.417 1.00 0.00 N ATOM 364 CA LYS A 130 8.350 -1.274 2.198 1.00 0.00 C ATOM 365 C LYS A 130 7.711 -1.985 1.019 1.00 0.00 C ATOM 366 O LYS A 130 7.592 -3.209 1.001 1.00 0.00 O ATOM 367 CB LYS A 130 9.859 -1.534 2.194 1.00 0.00 C ATOM 368 CG LYS A 130 10.667 -0.409 1.569 1.00 0.00 C ATOM 369 CD LYS A 130 10.661 -0.495 0.052 1.00 0.00 C ATOM 370 CE LYS A 130 10.944 0.857 -0.583 1.00 0.00 C ATOM 371 NZ LYS A 130 9.720 1.704 -0.656 1.00 0.00 N ATOM 0 H LYS A 130 7.787 -2.812 3.469 1.00 0.00 H new ATOM 0 HA LYS A 130 8.164 -0.202 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.196 -1.686 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.059 -2.458 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 130 10.257 0.552 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 130 11.694 -0.451 1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 130 11.410 -1.216 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 130 9.693 -0.863 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.710 1.375 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 130 11.344 0.710 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.988 2.682 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.087 1.336 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.230 1.685 0.261 1.00 0.00 H new ATOM 385 N CYS A 131 7.393 -1.223 0.005 1.00 0.00 N ATOM 386 CA CYS A 131 6.842 -1.763 -1.209 1.00 0.00 C ATOM 387 C CYS A 131 7.763 -1.362 -2.334 1.00 0.00 C ATOM 388 O CYS A 131 8.162 -0.189 -2.433 1.00 0.00 O ATOM 389 CB CYS A 131 5.442 -1.175 -1.430 1.00 0.00 C ATOM 390 SG CYS A 131 4.320 -2.225 -2.410 1.00 0.00 S ATOM 0 H CYS A 131 7.509 -0.210 -0.002 1.00 0.00 H new ATOM 0 HA CYS A 131 6.756 -2.848 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 131 4.985 -0.986 -0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 131 5.542 -0.211 -1.928 1.00 0.00 H new ATOM 395 N MET A 132 8.058 -2.312 -3.205 1.00 0.00 N ATOM 396 CA MET A 132 8.917 -2.045 -4.332 1.00 0.00 C ATOM 397 C MET A 132 8.126 -2.064 -5.619 1.00 0.00 C ATOM 398 O MET A 132 7.370 -3.001 -5.898 1.00 0.00 O ATOM 399 CB MET A 132 10.031 -3.091 -4.388 1.00 0.00 C ATOM 400 CG MET A 132 11.329 -2.633 -3.740 1.00 0.00 C ATOM 401 SD MET A 132 12.748 -2.764 -4.847 1.00 0.00 S ATOM 402 CE MET A 132 12.845 -4.540 -5.062 1.00 0.00 C ATOM 0 H MET A 132 7.714 -3.270 -3.149 1.00 0.00 H new ATOM 0 HA MET A 132 9.356 -1.055 -4.212 1.00 0.00 H new ATOM 0 HB2 MET A 132 9.689 -4.001 -3.894 1.00 0.00 H new ATOM 0 HB3 MET A 132 10.225 -3.348 -5.429 1.00 0.00 H new ATOM 0 HG2 MET A 132 11.222 -1.598 -3.415 1.00 0.00 H new ATOM 0 HG3 MET A 132 11.514 -3.230 -2.847 1.00 0.00 H new ATOM 0 HE1 MET A 132 13.756 -4.792 -5.605 1.00 0.00 H new ATOM 0 HE2 MET A 132 12.859 -5.024 -4.086 1.00 0.00 H new ATOM 0 HE3 MET A 132 11.979 -4.886 -5.627 1.00 0.00 H new ATOM 412 N ALA A 133 8.353 -1.013 -6.392 1.00 0.00 N ATOM 413 CA ALA A 133 7.720 -0.790 -7.698 1.00 0.00 C ATOM 414 C ALA A 133 7.075 0.582 -7.691 1.00 0.00 C ATOM 415 O ALA A 133 7.121 1.323 -8.672 1.00 0.00 O ATOM 416 CB ALA A 133 6.680 -1.852 -8.032 1.00 0.00 C ATOM 0 H ALA A 133 8.998 -0.268 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 133 8.491 -0.854 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 133 6.243 -1.639 -9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 133 7.155 -2.833 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 133 5.896 -1.845 -7.274 1.00 0.00 H new ATOM 422 N CYS A 134 6.493 0.909 -6.547 1.00 0.00 N ATOM 423 CA CYS A 134 5.846 2.188 -6.337 1.00 0.00 C ATOM 424 C CYS A 134 6.694 3.049 -5.402 1.00 0.00 C ATOM 425 O CYS A 134 6.472 4.255 -5.279 1.00 0.00 O ATOM 426 CB CYS A 134 4.459 1.974 -5.733 1.00 0.00 C ATOM 427 SG CYS A 134 4.491 1.127 -4.119 1.00 0.00 S ATOM 0 H CYS A 134 6.458 0.290 -5.737 1.00 0.00 H new ATOM 0 HA CYS A 134 5.742 2.698 -7.295 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.969 2.941 -5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.855 1.391 -6.428 1.00 0.00 H new ATOM 432 N GLY A 135 7.663 2.414 -4.737 1.00 0.00 N ATOM 433 CA GLY A 135 8.522 3.126 -3.813 1.00 0.00 C ATOM 434 C GLY A 135 7.733 3.759 -2.692 1.00 0.00 C ATOM 435 O GLY A 135 7.628 4.983 -2.614 1.00 0.00 O ATOM 0 H GLY A 135 7.864 1.418 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.258 2.438 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 135 9.074 3.897 -4.350 1.00 0.00 H new ATOM 439 N ALA A 136 7.155 2.927 -1.830 1.00 0.00 N ATOM 440 CA ALA A 136 6.346 3.444 -0.725 1.00 0.00 C ATOM 441 C ALA A 136 6.859 2.951 0.623 1.00 0.00 C ATOM 442 O ALA A 136 7.124 1.763 0.798 1.00 0.00 O ATOM 443 CB ALA A 136 4.910 2.988 -0.928 1.00 0.00 C ATOM 0 H ALA A 136 7.228 1.910 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 136 6.408 4.532 -0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 136 4.290 3.364 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 136 4.536 3.374 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.872 1.899 -0.940 1.00 0.00 H new ATOM 449 N ILE A 137 6.902 3.846 1.606 1.00 0.00 N ATOM 450 CA ILE A 137 7.316 3.468 2.951 1.00 0.00 C ATOM 451 C ILE A 137 6.266 3.888 3.976 1.00 0.00 C ATOM 452 O ILE A 137 5.787 5.023 3.964 1.00 0.00 O ATOM 453 CB ILE A 137 8.647 4.160 3.298 1.00 0.00 C ATOM 454 CG1 ILE A 137 9.675 3.926 2.189 1.00 0.00 C ATOM 455 CG2 ILE A 137 9.177 3.655 4.632 1.00 0.00 C ATOM 456 CD1 ILE A 137 10.889 4.822 2.289 1.00 0.00 C ATOM 0 H ILE A 137 6.657 4.830 1.497 1.00 0.00 H new ATOM 0 HA ILE A 137 7.434 2.385 2.980 1.00 0.00 H new ATOM 0 HB ILE A 137 8.468 5.232 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 137 9.998 2.886 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 137 9.196 4.083 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 137 10.118 4.154 4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 137 8.451 3.869 5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 137 9.342 2.579 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 137 11.574 4.600 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 137 10.578 5.865 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 137 11.392 4.648 3.240 1.00 0.00 H new ATOM 468 N ARG A 138 5.967 2.987 4.906 1.00 0.00 N ATOM 469 CA ARG A 138 5.009 3.261 5.968 1.00 0.00 C ATOM 470 C ARG A 138 5.602 2.891 7.331 1.00 0.00 C ATOM 471 O ARG A 138 6.176 1.810 7.497 1.00 0.00 O ATOM 472 CB ARG A 138 3.753 2.422 5.722 1.00 0.00 C ATOM 473 CG ARG A 138 2.486 3.251 5.589 1.00 0.00 C ATOM 474 CD ARG A 138 1.252 2.372 5.448 1.00 0.00 C ATOM 475 NE ARG A 138 0.225 2.711 6.431 1.00 0.00 N ATOM 476 CZ ARG A 138 -1.042 2.313 6.346 1.00 0.00 C ATOM 477 NH1 ARG A 138 -1.443 1.564 5.326 1.00 0.00 N ATOM 478 NH2 ARG A 138 -1.912 2.665 7.283 1.00 0.00 N ATOM 0 H ARG A 138 6.378 2.054 4.944 1.00 0.00 H new ATOM 0 HA ARG A 138 4.765 4.323 5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.890 1.835 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.631 1.716 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 138 2.378 3.893 6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 138 2.568 3.905 4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 138 0.843 2.480 4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 138 1.536 1.326 5.566 1.00 0.00 H new ATOM 0 HE ARG A 138 0.495 3.286 7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -0.779 1.290 4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -2.415 1.262 5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -1.610 3.241 8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -2.883 2.360 7.218 1.00 0.00 H new ATOM 492 N PRO A 139 5.402 3.756 8.346 1.00 0.00 N ATOM 493 CA PRO A 139 5.869 3.522 9.703 1.00 0.00 C ATOM 494 C PRO A 139 4.795 2.894 10.590 1.00 0.00 C ATOM 495 O PRO A 139 3.682 3.411 10.691 1.00 0.00 O ATOM 496 CB PRO A 139 6.175 4.940 10.168 1.00 0.00 C ATOM 497 CG PRO A 139 5.137 5.787 9.496 1.00 0.00 C ATOM 498 CD PRO A 139 4.673 5.033 8.265 1.00 0.00 C ATOM 0 HA PRO A 139 6.708 2.828 9.751 1.00 0.00 H new ATOM 0 HB2 PRO A 139 6.114 5.024 11.253 1.00 0.00 H new ATOM 0 HB3 PRO A 139 7.182 5.243 9.881 1.00 0.00 H new ATOM 0 HG2 PRO A 139 4.301 5.977 10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 139 5.551 6.757 9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 139 3.594 4.880 8.272 1.00 0.00 H new ATOM 0 HD3 PRO A 139 4.912 5.574 7.350 1.00 0.00 H new ATOM 506 N ILE A 140 5.135 1.782 11.232 1.00 0.00 N ATOM 507 CA ILE A 140 4.199 1.090 12.110 1.00 0.00 C ATOM 508 C ILE A 140 4.847 0.768 13.454 1.00 0.00 C ATOM 509 O ILE A 140 5.995 0.328 13.512 1.00 0.00 O ATOM 510 CB ILE A 140 3.691 -0.220 11.473 1.00 0.00 C ATOM 511 CG1 ILE A 140 3.186 0.039 10.052 1.00 0.00 C ATOM 512 CG2 ILE A 140 2.590 -0.833 12.327 1.00 0.00 C ATOM 513 CD1 ILE A 140 3.292 -1.166 9.144 1.00 0.00 C ATOM 0 H ILE A 140 6.052 1.341 11.161 1.00 0.00 H new ATOM 0 HA ILE A 140 3.354 1.761 12.264 1.00 0.00 H new ATOM 0 HB ILE A 140 4.520 -0.925 11.421 1.00 0.00 H new ATOM 0 HG12 ILE A 140 2.145 0.359 10.098 1.00 0.00 H new ATOM 0 HG13 ILE A 140 3.754 0.862 9.618 1.00 0.00 H new ATOM 0 HG21 ILE A 140 2.242 -1.757 11.864 1.00 0.00 H new ATOM 0 HG22 ILE A 140 2.979 -1.050 13.322 1.00 0.00 H new ATOM 0 HG23 ILE A 140 1.759 -0.132 12.407 1.00 0.00 H new ATOM 0 HD11 ILE A 140 2.916 -0.909 8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 140 4.335 -1.474 9.068 1.00 0.00 H new ATOM 0 HD13 ILE A 140 2.701 -1.985 9.555 1.00 0.00 H new ATOM 525 N ARG A 141 4.102 0.992 14.533 1.00 0.00 N ATOM 526 CA ARG A 141 4.603 0.728 15.877 1.00 0.00 C ATOM 527 C ARG A 141 5.830 1.583 16.179 1.00 0.00 C ATOM 528 O ARG A 141 6.887 1.406 15.573 1.00 0.00 O ATOM 529 CB ARG A 141 4.949 -0.755 16.035 1.00 0.00 C ATOM 530 CG ARG A 141 3.750 -1.626 16.370 1.00 0.00 C ATOM 531 CD ARG A 141 4.058 -2.594 17.501 1.00 0.00 C ATOM 532 NE ARG A 141 3.166 -3.750 17.491 1.00 0.00 N ATOM 533 CZ ARG A 141 2.974 -4.548 18.539 1.00 0.00 C ATOM 534 NH1 ARG A 141 3.609 -4.319 19.682 1.00 0.00 N ATOM 535 NH2 ARG A 141 2.144 -5.578 18.444 1.00 0.00 N ATOM 0 H ARG A 141 3.150 1.356 14.502 1.00 0.00 H new ATOM 0 HA ARG A 141 3.818 0.988 16.587 1.00 0.00 H new ATOM 0 HB2 ARG A 141 5.402 -1.114 15.111 1.00 0.00 H new ATOM 0 HB3 ARG A 141 5.697 -0.863 16.820 1.00 0.00 H new ATOM 0 HG2 ARG A 141 2.908 -0.994 16.651 1.00 0.00 H new ATOM 0 HG3 ARG A 141 3.447 -2.185 15.485 1.00 0.00 H new ATOM 0 HD2 ARG A 141 5.091 -2.932 17.417 1.00 0.00 H new ATOM 0 HD3 ARG A 141 3.969 -2.076 18.456 1.00 0.00 H new ATOM 0 HE ARG A 141 2.660 -3.958 16.630 1.00 0.00 H new ATOM 0 HH11 ARG A 141 4.248 -3.528 19.761 1.00 0.00 H new ATOM 0 HH12 ARG A 141 3.458 -4.934 20.482 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.653 -5.758 17.568 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.996 -6.190 19.247 1.00 0.00 H new ATOM 549 N MET A 142 5.682 2.510 17.119 1.00 0.00 N ATOM 550 CA MET A 142 6.778 3.394 17.501 1.00 0.00 C ATOM 551 C MET A 142 6.784 3.632 19.008 1.00 0.00 C ATOM 552 O MET A 142 7.127 4.720 19.473 1.00 0.00 O ATOM 553 CB MET A 142 6.666 4.728 16.762 1.00 0.00 C ATOM 554 CG MET A 142 8.009 5.306 16.344 1.00 0.00 C ATOM 555 SD MET A 142 8.765 6.310 17.637 1.00 0.00 S ATOM 556 CE MET A 142 10.491 6.228 17.163 1.00 0.00 C ATOM 0 H MET A 142 4.814 2.669 17.631 1.00 0.00 H new ATOM 0 HA MET A 142 7.715 2.911 17.224 1.00 0.00 H new ATOM 0 HB2 MET A 142 6.046 4.592 15.876 1.00 0.00 H new ATOM 0 HB3 MET A 142 6.154 5.447 17.402 1.00 0.00 H new ATOM 0 HG2 MET A 142 8.684 4.492 16.080 1.00 0.00 H new ATOM 0 HG3 MET A 142 7.876 5.913 15.449 1.00 0.00 H new ATOM 0 HE1 MET A 142 11.090 6.803 17.869 1.00 0.00 H new ATOM 0 HE2 MET A 142 10.821 5.189 17.169 1.00 0.00 H new ATOM 0 HE3 MET A 142 10.614 6.642 16.162 1.00 0.00 H new ATOM 566 N ILE A 143 6.402 2.609 19.766 1.00 0.00 N ATOM 567 CA ILE A 143 6.364 2.708 21.219 1.00 0.00 C ATOM 568 C ILE A 143 7.138 1.567 21.869 1.00 0.00 C ATOM 569 O ILE A 143 7.100 1.100 21.000 1.00 0.00 O ATOM 570 CB ILE A 143 4.916 2.693 21.746 1.00 0.00 C ATOM 571 CG1 ILE A 143 4.199 1.419 21.295 1.00 0.00 C ATOM 572 CG2 ILE A 143 4.166 3.928 21.268 1.00 0.00 C ATOM 573 CD1 ILE A 143 3.018 1.050 22.164 1.00 0.00 C ATOM 574 OXT ILE A 143 7.000 1.000 21.110 1.00 0.00 O ATOM 0 H ILE A 143 6.115 1.702 19.397 1.00 0.00 H new ATOM 0 HA ILE A 143 6.830 3.657 21.482 1.00 0.00 H new ATOM 0 HB ILE A 143 4.941 2.706 22.836 1.00 0.00 H new ATOM 0 HG12 ILE A 143 3.858 1.548 20.268 1.00 0.00 H new ATOM 0 HG13 ILE A 143 4.910 0.593 21.293 1.00 0.00 H new ATOM 0 HG21 ILE A 143 3.145 3.903 21.648 1.00 0.00 H new ATOM 0 HG22 ILE A 143 4.668 4.823 21.635 1.00 0.00 H new ATOM 0 HG23 ILE A 143 4.147 3.943 20.178 1.00 0.00 H new ATOM 0 HD11 ILE A 143 2.559 0.137 21.785 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.356 0.888 23.188 1.00 0.00 H new ATOM 0 HD13 ILE A 143 2.287 1.858 22.147 1.00 0.00 H new TER 586 ILE A 143 HETATM 587 ZN ZN A 144 3.384 -0.926 -4.110 1.00 0.00 ZN