USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=4 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+ 157:sc= -0.0504 (180deg=-0.359) USER MOD Single : A 118 THR OG1 : rot 35:sc= 0.199 USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0788) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 130 LYS NZ :NH3+ 162:sc=-0.00521 (180deg=-0.336) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 108 -2.399 6.145 -3.179 1.00 0.00 N ATOM 2 CA VAL A 108 -2.063 5.951 -1.780 1.00 0.00 C ATOM 3 C VAL A 108 -1.455 4.568 -1.527 1.00 0.00 C ATOM 4 O VAL A 108 -0.333 4.456 -1.035 1.00 0.00 O ATOM 5 CB VAL A 108 -3.336 6.142 -0.927 1.00 0.00 C ATOM 6 CG1 VAL A 108 -3.402 5.151 0.230 1.00 0.00 C ATOM 7 CG2 VAL A 108 -3.424 7.572 -0.417 1.00 0.00 C ATOM 0 HA VAL A 108 -1.311 6.688 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.194 5.944 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.313 5.321 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.405 4.134 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.535 5.289 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.327 7.690 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.550 7.794 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.458 8.259 -1.263 1.00 0.00 H new ATOM 17 N ILE A 109 -2.206 3.521 -1.858 1.00 0.00 N ATOM 18 CA ILE A 109 -1.742 2.151 -1.657 1.00 0.00 C ATOM 19 C ILE A 109 -0.385 1.923 -2.291 1.00 0.00 C ATOM 20 O ILE A 109 0.538 1.394 -1.672 1.00 0.00 O ATOM 21 CB ILE A 109 -2.760 1.117 -2.189 1.00 0.00 C ATOM 22 CG1 ILE A 109 -2.340 -0.308 -1.797 1.00 0.00 C ATOM 23 CG2 ILE A 109 -2.932 1.244 -3.697 1.00 0.00 C ATOM 24 CD1 ILE A 109 -1.232 -0.894 -2.652 1.00 0.00 C ATOM 0 H ILE A 109 -3.138 3.595 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.645 2.009 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 109 -3.726 1.323 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.016 -0.304 -0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -3.212 -0.960 -1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.654 0.505 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.292 2.244 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.974 1.074 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.999 -1.901 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -1.557 -0.934 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.343 -0.269 -2.574 1.00 0.00 H new ATOM 36 N CYS A 110 -0.294 2.336 -3.520 1.00 0.00 N ATOM 37 CA CYS A 110 0.931 2.209 -4.304 1.00 0.00 C ATOM 38 C CYS A 110 0.794 2.945 -5.635 1.00 0.00 C ATOM 39 O CYS A 110 -0.274 2.951 -6.244 1.00 0.00 O ATOM 40 CB CYS A 110 1.254 0.730 -4.548 1.00 0.00 C ATOM 41 SG CYS A 110 2.724 0.125 -3.651 1.00 0.00 S ATOM 0 H CYS A 110 -1.064 2.776 -4.024 1.00 0.00 H new ATOM 0 HA CYS A 110 1.749 2.660 -3.742 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.392 0.129 -4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.405 0.574 -5.616 1.00 0.00 H new ATOM 46 N ARG A 111 1.882 3.568 -6.081 1.00 0.00 N ATOM 47 CA ARG A 111 1.883 4.314 -7.339 1.00 0.00 C ATOM 48 C ARG A 111 1.226 3.512 -8.461 1.00 0.00 C ATOM 49 O ARG A 111 0.221 3.934 -9.033 1.00 0.00 O ATOM 50 CB ARG A 111 3.314 4.685 -7.734 1.00 0.00 C ATOM 51 CG ARG A 111 3.390 5.775 -8.791 1.00 0.00 C ATOM 52 CD ARG A 111 4.549 6.726 -8.532 1.00 0.00 C ATOM 53 NE ARG A 111 5.419 6.861 -9.699 1.00 0.00 N ATOM 54 CZ ARG A 111 6.496 7.642 -9.734 1.00 0.00 C ATOM 55 NH1 ARG A 111 6.839 8.359 -8.670 1.00 0.00 N ATOM 56 NH2 ARG A 111 7.234 7.706 -10.834 1.00 0.00 N ATOM 0 H ARG A 111 2.776 3.572 -5.590 1.00 0.00 H new ATOM 0 HA ARG A 111 1.303 5.225 -7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.854 5.013 -6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.822 3.795 -8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.504 5.321 -9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.455 6.335 -8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 111 4.159 7.706 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.132 6.364 -7.685 1.00 0.00 H new ATOM 0 HE ARG A 111 5.187 6.325 -10.535 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.276 8.313 -7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.665 8.956 -8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.976 7.156 -11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.059 8.305 -10.860 1.00 0.00 H new ATOM 70 N GLU A 112 1.800 2.354 -8.768 1.00 0.00 N ATOM 71 CA GLU A 112 1.272 1.491 -9.819 1.00 0.00 C ATOM 72 C GLU A 112 1.671 0.041 -9.567 1.00 0.00 C ATOM 73 O GLU A 112 2.477 -0.532 -10.299 1.00 0.00 O ATOM 74 CB GLU A 112 1.783 1.948 -11.188 1.00 0.00 C ATOM 75 CG GLU A 112 0.788 2.807 -11.952 1.00 0.00 C ATOM 76 CD GLU A 112 0.131 2.060 -13.096 1.00 0.00 C ATOM 77 OE1 GLU A 112 -0.619 1.099 -12.825 1.00 0.00 O ATOM 78 OE2 GLU A 112 0.366 2.437 -14.263 1.00 0.00 O ATOM 0 H GLU A 112 2.632 1.991 -8.303 1.00 0.00 H new ATOM 0 HA GLU A 112 0.184 1.560 -9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.707 2.510 -11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.028 1.071 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.019 3.163 -11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.298 3.687 -12.343 1.00 0.00 H new ATOM 85 N CYS A 113 1.104 -0.542 -8.517 1.00 0.00 N ATOM 86 CA CYS A 113 1.400 -1.918 -8.153 1.00 0.00 C ATOM 87 C CYS A 113 0.699 -2.903 -9.085 1.00 0.00 C ATOM 88 O CYS A 113 -0.529 -2.939 -9.158 1.00 0.00 O ATOM 89 CB CYS A 113 0.977 -2.170 -6.706 1.00 0.00 C ATOM 90 SG CYS A 113 2.240 -3.010 -5.698 1.00 0.00 S ATOM 0 H CYS A 113 0.435 -0.079 -7.902 1.00 0.00 H new ATOM 0 HA CYS A 113 2.474 -2.074 -8.251 1.00 0.00 H new ATOM 0 HB2 CYS A 113 0.730 -1.216 -6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 113 0.067 -2.771 -6.704 1.00 0.00 H new ATOM 95 N GLY A 114 1.492 -3.702 -9.790 1.00 0.00 N ATOM 96 CA GLY A 114 0.940 -4.684 -10.706 1.00 0.00 C ATOM 97 C GLY A 114 1.709 -5.990 -10.666 1.00 0.00 C ATOM 98 O GLY A 114 1.139 -7.049 -10.407 1.00 0.00 O ATOM 0 H GLY A 114 2.511 -3.687 -9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.104 -4.870 -10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.956 -4.284 -11.720 1.00 0.00 H new ATOM 102 N LYS A 115 3.012 -5.907 -10.912 1.00 0.00 N ATOM 103 CA LYS A 115 3.875 -7.081 -10.895 1.00 0.00 C ATOM 104 C LYS A 115 5.327 -6.678 -10.635 1.00 0.00 C ATOM 105 O LYS A 115 6.218 -6.995 -11.422 1.00 0.00 O ATOM 106 CB LYS A 115 3.768 -7.841 -12.220 1.00 0.00 C ATOM 107 CG LYS A 115 4.132 -7.001 -13.434 1.00 0.00 C ATOM 108 CD LYS A 115 5.363 -7.545 -14.143 1.00 0.00 C ATOM 109 CE LYS A 115 4.988 -8.559 -15.211 1.00 0.00 C ATOM 110 NZ LYS A 115 4.282 -7.923 -16.357 1.00 0.00 N ATOM 0 H LYS A 115 3.495 -5.034 -11.126 1.00 0.00 H new ATOM 0 HA LYS A 115 3.547 -7.735 -10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.421 -8.713 -12.183 1.00 0.00 H new ATOM 0 HB3 LYS A 115 2.749 -8.210 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.292 -6.980 -14.128 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.315 -5.972 -13.124 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.915 -6.723 -14.598 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.027 -8.011 -13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.888 -9.057 -15.571 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.351 -9.328 -14.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 4.385 -8.519 -17.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 3.273 -7.818 -16.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.694 -6.986 -16.542 1.00 0.00 H new ATOM 124 N PRO A 116 5.584 -5.965 -9.521 1.00 0.00 N ATOM 125 CA PRO A 116 6.912 -5.510 -9.152 1.00 0.00 C ATOM 126 C PRO A 116 7.569 -6.445 -8.132 1.00 0.00 C ATOM 127 O PRO A 116 7.407 -7.662 -8.213 1.00 0.00 O ATOM 128 CB PRO A 116 6.588 -4.149 -8.545 1.00 0.00 C ATOM 129 CG PRO A 116 5.276 -4.348 -7.851 1.00 0.00 C ATOM 130 CD PRO A 116 4.600 -5.527 -8.516 1.00 0.00 C ATOM 0 HA PRO A 116 7.624 -5.478 -9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 116 7.362 -3.832 -7.846 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.517 -3.379 -9.313 1.00 0.00 H new ATOM 0 HG2 PRO A 116 5.426 -4.538 -6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 116 4.658 -3.454 -7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.378 -6.318 -7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.655 -5.240 -8.978 1.00 0.00 H new ATOM 138 N ASP A 117 8.302 -5.883 -7.171 1.00 0.00 N ATOM 139 CA ASP A 117 8.956 -6.697 -6.150 1.00 0.00 C ATOM 140 C ASP A 117 8.490 -6.282 -4.763 1.00 0.00 C ATOM 141 O ASP A 117 8.102 -5.130 -4.558 1.00 0.00 O ATOM 142 CB ASP A 117 10.476 -6.558 -6.248 1.00 0.00 C ATOM 143 CG ASP A 117 11.109 -7.672 -7.060 1.00 0.00 C ATOM 144 OD1 ASP A 117 10.641 -8.825 -6.951 1.00 0.00 O ATOM 145 OD2 ASP A 117 12.072 -7.390 -7.804 1.00 0.00 O ATOM 0 H ASP A 117 8.456 -4.879 -7.079 1.00 0.00 H new ATOM 0 HA ASP A 117 8.685 -7.739 -6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.721 -5.598 -6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.903 -6.556 -5.245 1.00 0.00 H new ATOM 150 N THR A 118 8.529 -7.203 -3.806 1.00 0.00 N ATOM 151 CA THR A 118 8.106 -6.877 -2.448 1.00 0.00 C ATOM 152 C THR A 118 9.185 -7.232 -1.429 1.00 0.00 C ATOM 153 O THR A 118 9.722 -8.339 -1.431 1.00 0.00 O ATOM 154 CB THR A 118 6.821 -7.642 -2.123 1.00 0.00 C ATOM 155 OG1 THR A 118 7.060 -9.038 -2.104 1.00 0.00 O ATOM 156 CG2 THR A 118 5.703 -7.380 -3.108 1.00 0.00 C ATOM 0 H THR A 118 8.843 -8.164 -3.940 1.00 0.00 H new ATOM 0 HA THR A 118 7.929 -5.803 -2.391 1.00 0.00 H new ATOM 0 HB THR A 118 6.510 -7.281 -1.142 1.00 0.00 H new ATOM 0 HG1 THR A 118 7.960 -9.211 -1.757 1.00 0.00 H new ATOM 0 HG21 THR A 118 4.822 -7.953 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 118 5.461 -6.317 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 118 6.020 -7.681 -4.107 1.00 0.00 H new ATOM 164 N LYS A 119 9.466 -6.286 -0.539 1.00 0.00 N ATOM 165 CA LYS A 119 10.463 -6.477 0.509 1.00 0.00 C ATOM 166 C LYS A 119 9.897 -6.019 1.851 1.00 0.00 C ATOM 167 O LYS A 119 9.309 -4.942 1.945 1.00 0.00 O ATOM 168 CB LYS A 119 11.693 -5.631 0.177 1.00 0.00 C ATOM 169 CG LYS A 119 12.946 -6.061 0.923 1.00 0.00 C ATOM 170 CD LYS A 119 14.206 -5.674 0.165 1.00 0.00 C ATOM 171 CE LYS A 119 15.438 -6.337 0.757 1.00 0.00 C ATOM 172 NZ LYS A 119 15.493 -7.792 0.441 1.00 0.00 N ATOM 0 H LYS A 119 9.013 -5.372 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 119 10.731 -7.532 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.882 -5.685 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.480 -4.588 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.959 -5.601 1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.928 -7.140 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.105 -5.961 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 119 14.328 -4.591 0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 119 16.333 -5.848 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 119 15.439 -6.200 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.434 -8.164 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.770 -8.295 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 15.314 -7.934 -0.574 1.00 0.00 H new ATOM 186 N ILE A 120 10.143 -6.789 2.903 1.00 0.00 N ATOM 187 CA ILE A 120 9.686 -6.405 4.235 1.00 0.00 C ATOM 188 C ILE A 120 10.839 -6.445 5.232 1.00 0.00 C ATOM 189 O ILE A 120 11.593 -7.415 5.288 1.00 0.00 O ATOM 190 CB ILE A 120 8.591 -7.381 4.710 1.00 0.00 C ATOM 191 CG1 ILE A 120 7.483 -7.496 3.660 1.00 0.00 C ATOM 192 CG2 ILE A 120 8.017 -6.926 6.044 1.00 0.00 C ATOM 193 CD1 ILE A 120 7.012 -8.916 3.433 1.00 0.00 C ATOM 0 H ILE A 120 10.650 -7.673 2.863 1.00 0.00 H new ATOM 0 HA ILE A 120 9.291 -5.391 4.181 1.00 0.00 H new ATOM 0 HB ILE A 120 9.040 -8.365 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 120 6.635 -6.885 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 120 7.843 -7.086 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 120 7.245 -7.625 6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 120 8.811 -6.894 6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 120 7.583 -5.932 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 120 6.227 -8.922 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 120 7.848 -9.527 3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 120 6.621 -9.323 4.365 1.00 0.00 H new ATOM 205 N ILE A 121 10.920 -5.417 6.072 1.00 0.00 N ATOM 206 CA ILE A 121 11.953 -5.353 7.101 1.00 0.00 C ATOM 207 C ILE A 121 11.331 -5.034 8.453 1.00 0.00 C ATOM 208 O ILE A 121 10.517 -4.120 8.571 1.00 0.00 O ATOM 209 CB ILE A 121 12.966 -4.244 6.757 1.00 0.00 C ATOM 210 CG1 ILE A 121 13.982 -4.064 7.891 1.00 0.00 C ATOM 211 CG2 ILE A 121 12.246 -2.936 6.467 1.00 0.00 C ATOM 212 CD1 ILE A 121 15.421 -4.120 7.427 1.00 0.00 C ATOM 0 H ILE A 121 10.285 -4.619 6.061 1.00 0.00 H new ATOM 0 HA ILE A 121 12.454 -6.320 7.145 1.00 0.00 H new ATOM 0 HB ILE A 121 13.509 -4.543 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.803 -3.106 8.380 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.820 -4.839 8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 121 12.977 -2.164 6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 121 11.570 -3.072 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.674 -2.633 7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 121 16.084 -3.985 8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.617 -5.087 6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 121 15.600 -3.328 6.700 1.00 0.00 H new ATOM 224 N LYS A 122 11.789 -5.723 9.487 1.00 0.00 N ATOM 225 CA LYS A 122 11.304 -5.462 10.839 1.00 0.00 C ATOM 226 C LYS A 122 12.473 -5.225 11.788 1.00 0.00 C ATOM 227 O LYS A 122 13.444 -5.982 11.797 1.00 0.00 O ATOM 228 CB LYS A 122 10.500 -6.672 11.315 1.00 0.00 C ATOM 229 CG LYS A 122 11.268 -7.983 11.236 1.00 0.00 C ATOM 230 CD LYS A 122 11.573 -8.540 12.618 1.00 0.00 C ATOM 231 CE LYS A 122 10.719 -9.759 12.929 1.00 0.00 C ATOM 232 NZ LYS A 122 9.358 -9.380 13.399 1.00 0.00 N ATOM 0 H LYS A 122 12.490 -6.461 9.420 1.00 0.00 H new ATOM 0 HA LYS A 122 10.677 -4.571 10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 122 10.186 -6.506 12.345 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.594 -6.755 10.715 1.00 0.00 H new ATOM 0 HG2 LYS A 122 10.687 -8.711 10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.200 -7.827 10.693 1.00 0.00 H new ATOM 0 HD2 LYS A 122 12.628 -8.808 12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 122 11.397 -7.770 13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 122 10.635 -10.380 12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 122 11.211 -10.362 13.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.808 -10.240 13.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.436 -8.809 14.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.878 -8.827 12.661 1.00 0.00 H new ATOM 246 N GLU A 123 12.340 -4.212 12.640 1.00 0.00 N ATOM 247 CA GLU A 123 13.371 -3.903 13.628 1.00 0.00 C ATOM 248 C GLU A 123 12.726 -3.749 14.999 1.00 0.00 C ATOM 249 O GLU A 123 11.707 -3.069 15.130 1.00 0.00 O ATOM 250 CB GLU A 123 14.049 -2.587 13.237 1.00 0.00 C ATOM 251 CG GLU A 123 15.566 -2.673 13.204 1.00 0.00 C ATOM 252 CD GLU A 123 16.202 -2.237 14.509 1.00 0.00 C ATOM 253 OE1 GLU A 123 16.231 -1.019 14.779 1.00 0.00 O ATOM 254 OE2 GLU A 123 16.671 -3.117 15.262 1.00 0.00 O ATOM 0 H GLU A 123 11.530 -3.592 12.667 1.00 0.00 H new ATOM 0 HA GLU A 123 14.107 -4.706 13.662 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.689 -2.280 12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.752 -1.811 13.943 1.00 0.00 H new ATOM 0 HG2 GLU A 123 15.864 -3.698 12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 123 15.944 -2.050 12.394 1.00 0.00 H new ATOM 261 N GLY A 124 13.341 -4.307 16.032 1.00 0.00 N ATOM 262 CA GLY A 124 12.797 -4.160 17.375 1.00 0.00 C ATOM 263 C GLY A 124 11.374 -4.692 17.503 1.00 0.00 C ATOM 264 O GLY A 124 11.140 -5.891 17.356 1.00 0.00 O ATOM 0 H GLY A 124 14.199 -4.855 15.970 1.00 0.00 H new ATOM 0 HA2 GLY A 124 13.440 -4.685 18.081 1.00 0.00 H new ATOM 0 HA3 GLY A 124 12.811 -3.106 17.654 1.00 0.00 H new ATOM 268 N ARG A 125 10.421 -3.797 17.789 1.00 0.00 N ATOM 269 CA ARG A 125 9.017 -4.191 17.951 1.00 0.00 C ATOM 270 C ARG A 125 8.100 -3.433 16.987 1.00 0.00 C ATOM 271 O ARG A 125 6.916 -3.237 17.262 1.00 0.00 O ATOM 272 CB ARG A 125 8.566 -3.949 19.392 1.00 0.00 C ATOM 273 CG ARG A 125 7.465 -4.892 19.851 1.00 0.00 C ATOM 274 CD ARG A 125 8.035 -6.092 20.591 1.00 0.00 C ATOM 275 NE ARG A 125 8.662 -7.049 19.682 1.00 0.00 N ATOM 276 CZ ARG A 125 7.981 -7.906 18.923 1.00 0.00 C ATOM 277 NH1 ARG A 125 6.654 -7.926 18.959 1.00 0.00 N ATOM 278 NH2 ARG A 125 8.629 -8.744 18.126 1.00 0.00 N ATOM 0 H ARG A 125 10.595 -2.800 17.913 1.00 0.00 H new ATOM 0 HA ARG A 125 8.944 -5.253 17.718 1.00 0.00 H new ATOM 0 HB2 ARG A 125 9.424 -4.056 20.055 1.00 0.00 H new ATOM 0 HB3 ARG A 125 8.216 -2.921 19.487 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.773 -4.357 20.501 1.00 0.00 H new ATOM 0 HG3 ARG A 125 6.893 -5.233 18.988 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.769 -5.752 21.322 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.238 -6.588 21.146 1.00 0.00 H new ATOM 0 HE ARG A 125 9.680 -7.061 19.625 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.151 -7.283 19.570 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.138 -8.584 18.376 1.00 0.00 H new ATOM 0 HH21 ARG A 125 9.648 -8.732 18.094 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.108 -9.401 17.545 1.00 0.00 H new ATOM 292 N VAL A 126 8.659 -3.017 15.860 1.00 0.00 N ATOM 293 CA VAL A 126 7.939 -2.294 14.842 1.00 0.00 C ATOM 294 C VAL A 126 8.238 -2.926 13.490 1.00 0.00 C ATOM 295 O VAL A 126 9.389 -3.201 13.152 1.00 0.00 O ATOM 296 CB VAL A 126 8.405 -0.826 14.807 1.00 0.00 C ATOM 297 CG1 VAL A 126 7.557 -0.019 13.836 1.00 0.00 C ATOM 298 CG2 VAL A 126 8.363 -0.215 16.201 1.00 0.00 C ATOM 0 H VAL A 126 9.640 -3.178 15.631 1.00 0.00 H new ATOM 0 HA VAL A 126 6.872 -2.333 15.061 1.00 0.00 H new ATOM 0 HB VAL A 126 9.437 -0.802 14.458 1.00 0.00 H new ATOM 0 HG11 VAL A 126 7.901 1.015 13.825 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.647 -0.442 12.836 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.514 -0.051 14.151 1.00 0.00 H new ATOM 0 HG21 VAL A 126 8.696 0.822 16.154 1.00 0.00 H new ATOM 0 HG22 VAL A 126 7.343 -0.252 16.584 1.00 0.00 H new ATOM 0 HG23 VAL A 126 9.020 -0.777 16.865 1.00 0.00 H new ATOM 308 N HIS A 127 7.197 -3.082 12.705 1.00 0.00 N ATOM 309 CA HIS A 127 7.312 -3.641 11.361 1.00 0.00 C ATOM 310 C HIS A 127 7.071 -2.566 10.305 1.00 0.00 C ATOM 311 O HIS A 127 6.116 -1.797 10.387 1.00 0.00 O ATOM 312 CB HIS A 127 6.273 -4.755 11.205 1.00 0.00 C ATOM 313 CG HIS A 127 6.103 -5.596 12.432 1.00 0.00 C ATOM 314 ND1 HIS A 127 7.166 -6.131 13.129 1.00 0.00 N ATOM 315 CD2 HIS A 127 4.988 -5.989 13.092 1.00 0.00 C ATOM 316 CE1 HIS A 127 6.712 -6.817 14.162 1.00 0.00 C ATOM 317 NE2 HIS A 127 5.393 -6.745 14.162 1.00 0.00 N ATOM 0 H HIS A 127 6.246 -2.828 12.971 1.00 0.00 H new ATOM 0 HA HIS A 127 8.318 -4.037 11.222 1.00 0.00 H new ATOM 0 HB2 HIS A 127 5.313 -4.310 10.944 1.00 0.00 H new ATOM 0 HB3 HIS A 127 6.563 -5.397 10.373 1.00 0.00 H new ATOM 0 HD2 HIS A 127 3.969 -5.751 12.825 1.00 0.00 H new ATOM 0 HE1 HIS A 127 7.316 -7.347 14.884 1.00 0.00 H new ATOM 0 HE2 HIS A 127 4.776 -7.181 14.847 1.00 0.00 H new ATOM 325 N LEU A 128 7.896 -2.589 9.264 1.00 0.00 N ATOM 326 CA LEU A 128 7.775 -1.678 8.152 1.00 0.00 C ATOM 327 C LEU A 128 7.762 -2.484 6.862 1.00 0.00 C ATOM 328 O LEU A 128 8.580 -3.381 6.661 1.00 0.00 O ATOM 329 CB LEU A 128 8.974 -0.726 8.155 1.00 0.00 C ATOM 330 CG LEU A 128 8.625 0.755 8.000 1.00 0.00 C ATOM 331 CD1 LEU A 128 8.151 1.333 9.324 1.00 0.00 C ATOM 332 CD2 LEU A 128 9.824 1.532 7.476 1.00 0.00 C ATOM 0 H LEU A 128 8.670 -3.248 9.176 1.00 0.00 H new ATOM 0 HA LEU A 128 6.855 -1.100 8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 128 9.522 -0.859 9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.647 -1.011 7.347 1.00 0.00 H new ATOM 0 HG LEU A 128 7.814 0.844 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.907 2.387 9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 128 7.265 0.794 9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.941 1.232 10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.558 2.584 7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.654 1.435 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.119 1.134 6.505 1.00 0.00 H new ATOM 344 N LEU A 129 6.880 -2.098 5.968 1.00 0.00 N ATOM 345 CA LEU A 129 6.769 -2.728 4.677 1.00 0.00 C ATOM 346 C LEU A 129 7.220 -1.755 3.605 1.00 0.00 C ATOM 347 O LEU A 129 6.827 -0.589 3.587 1.00 0.00 O ATOM 348 CB LEU A 129 5.310 -3.122 4.440 1.00 0.00 C ATOM 349 CG LEU A 129 5.095 -4.207 3.383 1.00 0.00 C ATOM 350 CD1 LEU A 129 3.987 -5.157 3.808 1.00 0.00 C ATOM 351 CD2 LEU A 129 4.774 -3.581 2.034 1.00 0.00 C ATOM 0 H LEU A 129 6.219 -1.336 6.119 1.00 0.00 H new ATOM 0 HA LEU A 129 7.397 -3.618 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 129 4.885 -3.466 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 129 4.753 -2.233 4.144 1.00 0.00 H new ATOM 0 HG LEU A 129 6.018 -4.779 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.850 -5.921 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 129 4.257 -5.632 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 129 3.059 -4.600 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 129 4.624 -4.367 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 129 3.866 -2.983 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 129 5.601 -2.943 1.723 1.00 0.00 H new ATOM 363 N LYS A 130 7.987 -2.272 2.685 1.00 0.00 N ATOM 364 CA LYS A 130 8.489 -1.514 1.567 1.00 0.00 C ATOM 365 C LYS A 130 8.211 -2.274 0.281 1.00 0.00 C ATOM 366 O LYS A 130 8.463 -3.474 0.180 1.00 0.00 O ATOM 367 CB LYS A 130 9.997 -1.323 1.729 1.00 0.00 C ATOM 368 CG LYS A 130 10.369 -0.192 2.676 1.00 0.00 C ATOM 369 CD LYS A 130 11.313 0.803 2.019 1.00 0.00 C ATOM 370 CE LYS A 130 11.891 1.776 3.034 1.00 0.00 C ATOM 371 NZ LYS A 130 12.326 3.049 2.398 1.00 0.00 N ATOM 0 H LYS A 130 8.287 -3.247 2.689 1.00 0.00 H new ATOM 0 HA LYS A 130 7.998 -0.542 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.435 -2.251 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.437 -1.127 0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 130 9.465 0.323 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 130 10.839 -0.604 3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 130 12.123 0.266 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 130 10.780 1.356 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.144 1.989 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 130 12.740 1.313 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 12.424 3.785 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 13.241 2.906 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 11.617 3.347 1.698 1.00 0.00 H new ATOM 385 N CYS A 131 7.784 -1.544 -0.720 1.00 0.00 N ATOM 386 CA CYS A 131 7.534 -2.095 -2.024 1.00 0.00 C ATOM 387 C CYS A 131 8.440 -1.387 -2.998 1.00 0.00 C ATOM 388 O CYS A 131 8.538 -0.148 -2.983 1.00 0.00 O ATOM 389 CB CYS A 131 6.070 -1.855 -2.401 1.00 0.00 C ATOM 390 SG CYS A 131 5.602 -2.518 -4.035 1.00 0.00 S ATOM 0 H CYS A 131 7.600 -0.543 -0.649 1.00 0.00 H new ATOM 0 HA CYS A 131 7.727 -3.168 -2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 131 5.432 -2.307 -1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 131 5.873 -0.783 -2.386 1.00 0.00 H new ATOM 395 N MET A 132 9.050 -2.163 -3.878 1.00 0.00 N ATOM 396 CA MET A 132 9.925 -1.605 -4.877 1.00 0.00 C ATOM 397 C MET A 132 9.292 -1.692 -6.248 1.00 0.00 C ATOM 398 O MET A 132 8.812 -2.744 -6.678 1.00 0.00 O ATOM 399 CB MET A 132 11.257 -2.356 -4.873 1.00 0.00 C ATOM 400 CG MET A 132 12.213 -1.890 -3.786 1.00 0.00 C ATOM 401 SD MET A 132 13.618 -3.001 -3.578 1.00 0.00 S ATOM 402 CE MET A 132 14.240 -2.463 -1.987 1.00 0.00 C ATOM 0 H MET A 132 8.951 -3.178 -3.915 1.00 0.00 H new ATOM 0 HA MET A 132 10.099 -0.555 -4.641 1.00 0.00 H new ATOM 0 HB2 MET A 132 11.064 -3.421 -4.744 1.00 0.00 H new ATOM 0 HB3 MET A 132 11.737 -2.234 -5.844 1.00 0.00 H new ATOM 0 HG2 MET A 132 12.576 -0.892 -4.030 1.00 0.00 H new ATOM 0 HG3 MET A 132 11.674 -1.811 -2.842 1.00 0.00 H new ATOM 0 HE1 MET A 132 15.113 -3.057 -1.718 1.00 0.00 H new ATOM 0 HE2 MET A 132 14.520 -1.411 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 132 13.466 -2.593 -1.231 1.00 0.00 H new ATOM 412 N ALA A 133 9.334 -0.548 -6.910 1.00 0.00 N ATOM 413 CA ALA A 133 8.794 -0.347 -8.259 1.00 0.00 C ATOM 414 C ALA A 133 7.867 0.851 -8.226 1.00 0.00 C ATOM 415 O ALA A 133 7.849 1.679 -9.137 1.00 0.00 O ATOM 416 CB ALA A 133 8.053 -1.574 -8.774 1.00 0.00 C ATOM 0 H ALA A 133 9.755 0.295 -6.519 1.00 0.00 H new ATOM 0 HA ALA A 133 9.624 -0.174 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 133 7.672 -1.375 -9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 133 8.735 -2.424 -8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 133 7.221 -1.802 -8.108 1.00 0.00 H new ATOM 422 N CYS A 134 7.121 0.939 -7.134 1.00 0.00 N ATOM 423 CA CYS A 134 6.199 2.036 -6.905 1.00 0.00 C ATOM 424 C CYS A 134 6.766 2.957 -5.825 1.00 0.00 C ATOM 425 O CYS A 134 6.305 4.085 -5.650 1.00 0.00 O ATOM 426 CB CYS A 134 4.823 1.508 -6.478 1.00 0.00 C ATOM 427 SG CYS A 134 4.505 -0.235 -6.920 1.00 0.00 S ATOM 0 H CYS A 134 7.140 0.250 -6.382 1.00 0.00 H new ATOM 0 HA CYS A 134 6.076 2.594 -7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 134 4.725 1.619 -5.398 1.00 0.00 H new ATOM 0 HB3 CYS A 134 4.053 2.131 -6.933 1.00 0.00 H new ATOM 432 N GLY A 135 7.770 2.457 -5.099 1.00 0.00 N ATOM 433 CA GLY A 135 8.388 3.232 -4.043 1.00 0.00 C ATOM 434 C GLY A 135 7.390 3.629 -2.983 1.00 0.00 C ATOM 435 O GLY A 135 7.067 4.808 -2.840 1.00 0.00 O ATOM 0 H GLY A 135 8.163 1.525 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.190 2.651 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.843 4.127 -4.467 1.00 0.00 H new ATOM 439 N ALA A 136 6.881 2.646 -2.247 1.00 0.00 N ATOM 440 CA ALA A 136 5.888 2.938 -1.209 1.00 0.00 C ATOM 441 C ALA A 136 6.292 2.347 0.137 1.00 0.00 C ATOM 442 O ALA A 136 6.677 1.184 0.220 1.00 0.00 O ATOM 443 CB ALA A 136 4.553 2.355 -1.645 1.00 0.00 C ATOM 0 H ALA A 136 7.129 1.661 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 136 5.816 4.018 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 136 3.800 2.562 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 136 4.249 2.807 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.651 1.277 -1.774 1.00 0.00 H new ATOM 449 N ILE A 137 6.113 3.119 1.205 1.00 0.00 N ATOM 450 CA ILE A 137 6.413 2.626 2.546 1.00 0.00 C ATOM 451 C ILE A 137 5.221 2.830 3.478 1.00 0.00 C ATOM 452 O ILE A 137 4.636 3.912 3.532 1.00 0.00 O ATOM 453 CB ILE A 137 7.624 3.388 3.121 1.00 0.00 C ATOM 454 CG1 ILE A 137 7.334 4.890 3.183 1.00 0.00 C ATOM 455 CG2 ILE A 137 8.866 3.115 2.287 1.00 0.00 C ATOM 456 CD1 ILE A 137 6.950 5.373 4.564 1.00 0.00 C ATOM 0 H ILE A 137 5.766 4.077 1.170 1.00 0.00 H new ATOM 0 HA ILE A 137 6.635 1.561 2.475 1.00 0.00 H new ATOM 0 HB ILE A 137 7.806 3.034 4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 137 8.215 5.436 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 137 6.529 5.126 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 137 9.712 3.660 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 137 9.082 2.047 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 137 8.695 3.443 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 137 6.759 6.446 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 137 6.051 4.853 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 137 7.763 5.169 5.260 1.00 0.00 H new ATOM 468 N ARG A 138 4.920 1.804 4.267 1.00 0.00 N ATOM 469 CA ARG A 138 3.834 1.870 5.236 1.00 0.00 C ATOM 470 C ARG A 138 4.316 1.400 6.611 1.00 0.00 C ATOM 471 O ARG A 138 4.973 0.361 6.726 1.00 0.00 O ATOM 472 CB ARG A 138 2.703 0.955 4.766 1.00 0.00 C ATOM 473 CG ARG A 138 1.913 1.516 3.595 1.00 0.00 C ATOM 474 CD ARG A 138 0.860 0.532 3.111 1.00 0.00 C ATOM 475 NE ARG A 138 -0.142 0.254 4.138 1.00 0.00 N ATOM 476 CZ ARG A 138 -1.337 -0.274 3.884 1.00 0.00 C ATOM 477 NH1 ARG A 138 -1.684 -0.582 2.641 1.00 0.00 N ATOM 478 NH2 ARG A 138 -2.188 -0.494 4.876 1.00 0.00 N ATOM 0 H ARG A 138 5.416 0.913 4.253 1.00 0.00 H new ATOM 0 HA ARG A 138 3.487 2.900 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.122 -0.010 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.023 0.774 5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 138 1.432 2.448 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 138 2.593 1.755 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 138 0.369 0.933 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 138 1.343 -0.399 2.814 1.00 0.00 H new ATOM 0 HE ARG A 138 0.088 0.478 5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -1.033 -0.414 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -2.601 -0.986 2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -1.927 -0.259 5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -3.104 -0.899 4.682 1.00 0.00 H new ATOM 492 N PRO A 139 3.927 2.118 7.682 1.00 0.00 N ATOM 493 CA PRO A 139 4.271 1.766 9.051 1.00 0.00 C ATOM 494 C PRO A 139 3.167 0.965 9.736 1.00 0.00 C ATOM 495 O PRO A 139 1.985 1.284 9.602 1.00 0.00 O ATOM 496 CB PRO A 139 4.403 3.141 9.693 1.00 0.00 C ATOM 497 CG PRO A 139 3.377 3.984 8.995 1.00 0.00 C ATOM 498 CD PRO A 139 3.090 3.328 7.659 1.00 0.00 C ATOM 0 HA PRO A 139 5.158 1.136 9.123 1.00 0.00 H new ATOM 0 HB2 PRO A 139 4.217 3.097 10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 139 5.406 3.546 9.560 1.00 0.00 H new ATOM 0 HG2 PRO A 139 2.468 4.055 9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 139 3.746 5.000 8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 139 2.033 3.083 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 139 3.352 3.981 6.827 1.00 0.00 H new ATOM 506 N ILE A 140 3.553 -0.071 10.474 1.00 0.00 N ATOM 507 CA ILE A 140 2.585 -0.904 11.178 1.00 0.00 C ATOM 508 C ILE A 140 3.188 -1.503 12.445 1.00 0.00 C ATOM 509 O ILE A 140 4.348 -1.907 12.460 1.00 0.00 O ATOM 510 CB ILE A 140 2.060 -2.042 10.280 1.00 0.00 C ATOM 511 CG1 ILE A 140 3.200 -2.979 9.882 1.00 0.00 C ATOM 512 CG2 ILE A 140 1.381 -1.470 9.044 1.00 0.00 C ATOM 513 CD1 ILE A 140 2.759 -4.128 9.001 1.00 0.00 C ATOM 0 H ILE A 140 4.525 -0.353 10.600 1.00 0.00 H new ATOM 0 HA ILE A 140 1.752 -0.256 11.450 1.00 0.00 H new ATOM 0 HB ILE A 140 1.325 -2.617 10.843 1.00 0.00 H new ATOM 0 HG12 ILE A 140 3.966 -2.405 9.360 1.00 0.00 H new ATOM 0 HG13 ILE A 140 3.662 -3.380 10.784 1.00 0.00 H new ATOM 0 HG21 ILE A 140 1.015 -2.285 8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 140 0.544 -0.841 9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 140 2.097 -0.873 8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 140 3.620 -4.751 8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 140 2.015 -4.726 9.528 1.00 0.00 H new ATOM 0 HD13 ILE A 140 2.324 -3.736 8.082 1.00 0.00 H new ATOM 525 N ARG A 141 2.388 -1.556 13.506 1.00 0.00 N ATOM 526 CA ARG A 141 2.841 -2.107 14.779 1.00 0.00 C ATOM 527 C ARG A 141 1.667 -2.664 15.578 1.00 0.00 C ATOM 528 O ARG A 141 1.568 -2.452 16.787 1.00 0.00 O ATOM 529 CB ARG A 141 3.565 -1.033 15.593 1.00 0.00 C ATOM 530 CG ARG A 141 4.337 -1.586 16.780 1.00 0.00 C ATOM 531 CD ARG A 141 4.275 -0.649 17.974 1.00 0.00 C ATOM 532 NE ARG A 141 5.570 -0.526 18.642 1.00 0.00 N ATOM 533 CZ ARG A 141 5.728 -0.027 19.866 1.00 0.00 C ATOM 534 NH1 ARG A 141 4.678 0.395 20.559 1.00 0.00 N ATOM 535 NH2 ARG A 141 6.939 0.049 20.399 1.00 0.00 N ATOM 0 H ARG A 141 1.423 -1.224 13.509 1.00 0.00 H new ATOM 0 HA ARG A 141 3.533 -2.922 14.570 1.00 0.00 H new ATOM 0 HB2 ARG A 141 4.254 -0.497 14.940 1.00 0.00 H new ATOM 0 HB3 ARG A 141 2.835 -0.307 15.951 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.930 -2.558 17.058 1.00 0.00 H new ATOM 0 HG3 ARG A 141 5.377 -1.745 16.496 1.00 0.00 H new ATOM 0 HD2 ARG A 141 3.942 0.335 17.645 1.00 0.00 H new ATOM 0 HD3 ARG A 141 3.534 -1.016 18.684 1.00 0.00 H new ATOM 0 HE ARG A 141 6.401 -0.841 18.141 1.00 0.00 H new ATOM 0 HH11 ARG A 141 3.743 0.338 20.154 1.00 0.00 H new ATOM 0 HH12 ARG A 141 4.805 0.776 21.496 1.00 0.00 H new ATOM 0 HH21 ARG A 141 7.750 -0.275 19.871 1.00 0.00 H new ATOM 0 HH22 ARG A 141 7.060 0.431 21.337 1.00 0.00 H new ATOM 549 N MET A 142 0.777 -3.376 14.894 1.00 0.00 N ATOM 550 CA MET A 142 -0.391 -3.964 15.538 1.00 0.00 C ATOM 551 C MET A 142 -1.291 -2.882 16.126 1.00 0.00 C ATOM 552 O MET A 142 -0.947 -2.250 17.126 1.00 0.00 O ATOM 553 CB MET A 142 0.038 -4.937 16.638 1.00 0.00 C ATOM 554 CG MET A 142 -0.920 -6.103 16.827 1.00 0.00 C ATOM 555 SD MET A 142 -1.311 -6.411 18.561 1.00 0.00 S ATOM 556 CE MET A 142 -3.034 -6.886 18.440 1.00 0.00 C ATOM 0 H MET A 142 0.843 -3.560 13.893 1.00 0.00 H new ATOM 0 HA MET A 142 -0.953 -4.509 14.780 1.00 0.00 H new ATOM 0 HB2 MET A 142 1.028 -5.326 16.401 1.00 0.00 H new ATOM 0 HB3 MET A 142 0.125 -4.393 17.579 1.00 0.00 H new ATOM 0 HG2 MET A 142 -1.842 -5.902 16.281 1.00 0.00 H new ATOM 0 HG3 MET A 142 -0.482 -7.002 16.393 1.00 0.00 H new ATOM 0 HE1 MET A 142 -3.421 -7.109 19.434 1.00 0.00 H new ATOM 0 HE2 MET A 142 -3.607 -6.068 18.003 1.00 0.00 H new ATOM 0 HE3 MET A 142 -3.124 -7.770 17.809 1.00 0.00 H new ATOM 566 N ILE A 143 -2.444 -2.673 15.500 1.00 0.00 N ATOM 567 CA ILE A 143 -3.394 -1.667 15.961 1.00 0.00 C ATOM 568 C ILE A 143 -4.644 -2.317 16.542 1.00 0.00 C ATOM 569 O ILE A 143 -4.000 -2.000 16.000 1.00 0.00 O ATOM 570 CB ILE A 143 -3.805 -0.718 14.819 1.00 0.00 C ATOM 571 CG1 ILE A 143 -4.246 -1.521 13.594 1.00 0.00 C ATOM 572 CG2 ILE A 143 -2.657 0.213 14.464 1.00 0.00 C ATOM 573 CD1 ILE A 143 -4.897 -0.675 12.521 1.00 0.00 C ATOM 574 OXT ILE A 143 -4.100 -2.100 16.200 1.00 0.00 O ATOM 0 H ILE A 143 -2.744 -3.187 14.672 1.00 0.00 H new ATOM 0 HA ILE A 143 -2.893 -1.091 16.739 1.00 0.00 H new ATOM 0 HB ILE A 143 -4.646 -0.112 15.155 1.00 0.00 H new ATOM 0 HG12 ILE A 143 -3.379 -2.028 13.170 1.00 0.00 H new ATOM 0 HG13 ILE A 143 -4.945 -2.295 13.909 1.00 0.00 H new ATOM 0 HG21 ILE A 143 -2.964 0.877 13.656 1.00 0.00 H new ATOM 0 HG22 ILE A 143 -2.386 0.806 15.338 1.00 0.00 H new ATOM 0 HG23 ILE A 143 -1.797 -0.375 14.144 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -5.185 -1.309 11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -5.783 -0.189 12.929 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -4.193 0.083 12.178 1.00 0.00 H new TER 586 ILE A 143 HETATM 587 ZN ZN A 144 3.801 -1.412 -5.034 1.00 0.00 ZN