USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 308 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 32:sc= 0.106 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 HE2:sc= -1.67 X(o=-1.7,f=-1.5) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 MET CE :methyl 171:sc= 0 (180deg=-0.0965) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 108 -4.134 4.419 -4.696 1.00 0.00 N ATOM 2 CA VAL A 108 -3.819 4.540 -3.285 1.00 0.00 C ATOM 3 C VAL A 108 -2.791 3.493 -2.844 1.00 0.00 C ATOM 4 O VAL A 108 -1.744 3.835 -2.294 1.00 0.00 O ATOM 5 CB VAL A 108 -5.119 4.391 -2.465 1.00 0.00 C ATOM 6 CG1 VAL A 108 -4.896 3.604 -1.178 1.00 0.00 C ATOM 7 CG2 VAL A 108 -5.713 5.757 -2.161 1.00 0.00 C ATOM 0 HA VAL A 108 -3.378 5.521 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.826 3.825 -3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.837 3.524 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.531 2.606 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.161 4.119 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.629 5.635 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.997 6.346 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.940 6.271 -3.095 1.00 0.00 H new ATOM 17 N ILE A 109 -3.099 2.221 -3.081 1.00 0.00 N ATOM 18 CA ILE A 109 -2.201 1.137 -2.698 1.00 0.00 C ATOM 19 C ILE A 109 -0.867 1.245 -3.405 1.00 0.00 C ATOM 20 O ILE A 109 0.200 1.169 -2.795 1.00 0.00 O ATOM 21 CB ILE A 109 -2.825 -0.249 -2.971 1.00 0.00 C ATOM 22 CG1 ILE A 109 -1.891 -1.362 -2.479 1.00 0.00 C ATOM 23 CG2 ILE A 109 -3.133 -0.415 -4.454 1.00 0.00 C ATOM 24 CD1 ILE A 109 -2.264 -2.739 -2.986 1.00 0.00 C ATOM 0 H ILE A 109 -3.960 1.917 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.037 1.235 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 109 -3.763 -0.322 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.872 -1.133 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.896 -1.372 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.572 -1.398 -4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.836 0.357 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.212 -0.323 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.559 -3.473 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -3.271 -2.990 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -2.231 -2.747 -4.075 1.00 0.00 H new ATOM 36 N CYS A 110 -0.960 1.420 -4.690 1.00 0.00 N ATOM 37 CA CYS A 110 0.209 1.547 -5.554 1.00 0.00 C ATOM 38 C CYS A 110 -0.169 2.226 -6.871 1.00 0.00 C ATOM 39 O CYS A 110 -1.010 1.729 -7.618 1.00 0.00 O ATOM 40 CB CYS A 110 0.820 0.169 -5.819 1.00 0.00 C ATOM 41 SG CYS A 110 1.971 -0.401 -4.520 1.00 0.00 S ATOM 0 H CYS A 110 -1.849 1.481 -5.186 1.00 0.00 H new ATOM 0 HA CYS A 110 0.950 2.167 -5.049 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.016 -0.559 -5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.349 0.195 -6.772 1.00 0.00 H new ATOM 46 N ARG A 111 0.446 3.375 -7.136 1.00 0.00 N ATOM 47 CA ARG A 111 0.164 4.142 -8.347 1.00 0.00 C ATOM 48 C ARG A 111 0.341 3.302 -9.619 1.00 0.00 C ATOM 49 O ARG A 111 -0.577 2.592 -10.029 1.00 0.00 O ATOM 50 CB ARG A 111 1.051 5.390 -8.395 1.00 0.00 C ATOM 51 CG ARG A 111 0.694 6.428 -7.342 1.00 0.00 C ATOM 52 CD ARG A 111 1.934 6.998 -6.669 1.00 0.00 C ATOM 53 NE ARG A 111 1.975 6.684 -5.241 1.00 0.00 N ATOM 54 CZ ARG A 111 2.496 5.565 -4.739 1.00 0.00 C ATOM 55 NH1 ARG A 111 3.023 4.647 -5.541 1.00 0.00 N ATOM 56 NH2 ARG A 111 2.488 5.363 -3.428 1.00 0.00 N ATOM 0 H ARG A 111 1.146 3.797 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 111 -0.882 4.446 -8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.091 5.092 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.973 5.844 -9.383 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.128 7.236 -7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.047 5.976 -6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.825 6.599 -7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.955 8.080 -6.803 1.00 0.00 H new ATOM 0 HE ARG A 111 1.581 7.363 -4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.031 4.796 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.420 3.793 -5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.084 6.063 -2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.886 4.507 -3.041 1.00 0.00 H new ATOM 70 N GLU A 112 1.514 3.394 -10.249 1.00 0.00 N ATOM 71 CA GLU A 112 1.784 2.650 -11.477 1.00 0.00 C ATOM 72 C GLU A 112 2.718 1.476 -11.211 1.00 0.00 C ATOM 73 O GLU A 112 3.651 1.221 -11.972 1.00 0.00 O ATOM 74 CB GLU A 112 2.395 3.573 -12.532 1.00 0.00 C ATOM 75 CG GLU A 112 3.619 4.329 -12.042 1.00 0.00 C ATOM 76 CD GLU A 112 4.842 4.085 -12.906 1.00 0.00 C ATOM 77 OE1 GLU A 112 4.924 3.005 -13.526 1.00 0.00 O ATOM 78 OE2 GLU A 112 5.717 4.975 -12.961 1.00 0.00 O ATOM 0 H GLU A 112 2.289 3.975 -9.929 1.00 0.00 H new ATOM 0 HA GLU A 112 0.837 2.258 -11.849 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.669 2.982 -13.406 1.00 0.00 H new ATOM 0 HB3 GLU A 112 1.641 4.290 -12.856 1.00 0.00 H new ATOM 0 HG2 GLU A 112 3.399 5.396 -12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.838 4.032 -11.017 1.00 0.00 H new ATOM 85 N CYS A 113 2.456 0.769 -10.123 1.00 0.00 N ATOM 86 CA CYS A 113 3.265 -0.380 -9.738 1.00 0.00 C ATOM 87 C CYS A 113 2.932 -1.601 -10.595 1.00 0.00 C ATOM 88 O CYS A 113 2.317 -2.557 -10.122 1.00 0.00 O ATOM 89 CB CYS A 113 3.034 -0.692 -8.261 1.00 0.00 C ATOM 90 SG CYS A 113 4.538 -1.123 -7.335 1.00 0.00 S ATOM 0 H CYS A 113 1.685 0.971 -9.487 1.00 0.00 H new ATOM 0 HA CYS A 113 4.315 -0.136 -9.900 1.00 0.00 H new ATOM 0 HB2 CYS A 113 2.568 0.173 -7.789 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.326 -1.517 -8.184 1.00 0.00 H new ATOM 95 N GLY A 114 3.343 -1.561 -11.859 1.00 0.00 N ATOM 96 CA GLY A 114 3.081 -2.670 -12.759 1.00 0.00 C ATOM 97 C GLY A 114 4.128 -3.762 -12.651 1.00 0.00 C ATOM 98 O GLY A 114 5.304 -3.531 -12.931 1.00 0.00 O ATOM 0 H GLY A 114 3.852 -0.782 -12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.099 -3.089 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.048 -2.302 -13.785 1.00 0.00 H new ATOM 102 N LYS A 115 3.702 -4.953 -12.239 1.00 0.00 N ATOM 103 CA LYS A 115 4.614 -6.084 -12.088 1.00 0.00 C ATOM 104 C LYS A 115 5.810 -5.702 -11.216 1.00 0.00 C ATOM 105 O LYS A 115 6.950 -5.688 -11.681 1.00 0.00 O ATOM 106 CB LYS A 115 5.096 -6.563 -13.460 1.00 0.00 C ATOM 107 CG LYS A 115 5.710 -7.954 -13.438 1.00 0.00 C ATOM 108 CD LYS A 115 5.846 -8.526 -14.842 1.00 0.00 C ATOM 109 CE LYS A 115 7.225 -9.126 -15.071 1.00 0.00 C ATOM 110 NZ LYS A 115 7.206 -10.612 -14.986 1.00 0.00 N ATOM 0 H LYS A 115 2.731 -5.160 -12.004 1.00 0.00 H new ATOM 0 HA LYS A 115 4.075 -6.895 -11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.255 -6.557 -14.154 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.831 -5.856 -13.845 1.00 0.00 H new ATOM 0 HG2 LYS A 115 6.691 -7.912 -12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.091 -8.616 -12.832 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.085 -9.291 -14.999 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.664 -7.740 -15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.594 -8.823 -16.051 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.921 -8.729 -14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.165 -10.981 -15.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.878 -10.902 -14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.562 -10.993 -15.708 1.00 0.00 H new ATOM 124 N PRO A 116 5.561 -5.376 -9.936 1.00 0.00 N ATOM 125 CA PRO A 116 6.583 -4.983 -8.992 1.00 0.00 C ATOM 126 C PRO A 116 6.949 -6.123 -8.045 1.00 0.00 C ATOM 127 O PRO A 116 6.825 -7.296 -8.396 1.00 0.00 O ATOM 128 CB PRO A 116 5.864 -3.854 -8.248 1.00 0.00 C ATOM 129 CG PRO A 116 4.411 -4.239 -8.262 1.00 0.00 C ATOM 130 CD PRO A 116 4.253 -5.346 -9.280 1.00 0.00 C ATOM 0 HA PRO A 116 7.530 -4.698 -9.450 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.236 -3.755 -7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.022 -2.894 -8.740 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.092 -4.575 -7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.789 -3.383 -8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.016 -6.299 -8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.451 -5.133 -9.987 1.00 0.00 H new ATOM 138 N ASP A 117 7.387 -5.774 -6.842 1.00 0.00 N ATOM 139 CA ASP A 117 7.756 -6.773 -5.841 1.00 0.00 C ATOM 140 C ASP A 117 7.443 -6.258 -4.444 1.00 0.00 C ATOM 141 O ASP A 117 7.309 -5.048 -4.244 1.00 0.00 O ATOM 142 CB ASP A 117 9.243 -7.117 -5.950 1.00 0.00 C ATOM 143 CG ASP A 117 9.476 -8.514 -6.489 1.00 0.00 C ATOM 144 OD1 ASP A 117 9.506 -9.466 -5.680 1.00 0.00 O ATOM 145 OD2 ASP A 117 9.629 -8.658 -7.720 1.00 0.00 O ATOM 0 H ASP A 117 7.496 -4.808 -6.534 1.00 0.00 H new ATOM 0 HA ASP A 117 7.174 -7.676 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.734 -6.393 -6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.707 -7.028 -4.967 1.00 0.00 H new ATOM 150 N THR A 118 7.333 -7.157 -3.472 1.00 0.00 N ATOM 151 CA THR A 118 7.041 -6.739 -2.106 1.00 0.00 C ATOM 152 C THR A 118 8.099 -7.248 -1.132 1.00 0.00 C ATOM 153 O THR A 118 8.443 -8.430 -1.127 1.00 0.00 O ATOM 154 CB THR A 118 5.667 -7.270 -1.695 1.00 0.00 C ATOM 155 OG1 THR A 118 5.598 -8.673 -1.873 1.00 0.00 O ATOM 156 CG2 THR A 118 4.528 -6.652 -2.477 1.00 0.00 C ATOM 0 H THR A 118 7.439 -8.163 -3.600 1.00 0.00 H new ATOM 0 HA THR A 118 7.046 -5.650 -2.073 1.00 0.00 H new ATOM 0 HB THR A 118 5.555 -6.999 -0.645 1.00 0.00 H new ATOM 0 HG1 THR A 118 6.481 -9.067 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.582 -7.073 -2.136 1.00 0.00 H new ATOM 0 HG22 THR A 118 4.523 -5.573 -2.321 1.00 0.00 H new ATOM 0 HG23 THR A 118 4.658 -6.865 -3.538 1.00 0.00 H new ATOM 164 N LYS A 119 8.580 -6.345 -0.282 1.00 0.00 N ATOM 165 CA LYS A 119 9.584 -6.683 0.721 1.00 0.00 C ATOM 166 C LYS A 119 9.167 -6.120 2.078 1.00 0.00 C ATOM 167 O LYS A 119 8.765 -4.961 2.177 1.00 0.00 O ATOM 168 CB LYS A 119 10.918 -6.055 0.309 1.00 0.00 C ATOM 169 CG LYS A 119 12.102 -6.997 0.451 1.00 0.00 C ATOM 170 CD LYS A 119 13.102 -6.808 -0.678 1.00 0.00 C ATOM 171 CE LYS A 119 12.839 -7.773 -1.822 1.00 0.00 C ATOM 172 NZ LYS A 119 13.732 -8.963 -1.763 1.00 0.00 N ATOM 0 H LYS A 119 8.288 -5.368 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 119 9.680 -7.766 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.850 -5.724 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.095 -5.167 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.594 -6.823 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.749 -8.028 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.048 -5.783 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 119 14.113 -6.958 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.799 -8.098 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.983 -7.258 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.520 -9.596 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.724 -8.656 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.576 -9.470 -0.868 1.00 0.00 H new ATOM 186 N ILE A 120 9.338 -6.909 3.134 1.00 0.00 N ATOM 187 CA ILE A 120 9.014 -6.442 4.477 1.00 0.00 C ATOM 188 C ILE A 120 10.191 -6.658 5.424 1.00 0.00 C ATOM 189 O ILE A 120 10.779 -7.738 5.466 1.00 0.00 O ATOM 190 CB ILE A 120 7.798 -7.218 5.019 1.00 0.00 C ATOM 191 CG1 ILE A 120 8.078 -8.724 5.016 1.00 0.00 C ATOM 192 CG2 ILE A 120 6.559 -6.901 4.195 1.00 0.00 C ATOM 193 CD1 ILE A 120 8.200 -9.317 6.402 1.00 0.00 C ATOM 0 H ILE A 120 9.695 -7.863 3.088 1.00 0.00 H new ATOM 0 HA ILE A 120 8.789 -5.377 4.420 1.00 0.00 H new ATOM 0 HB ILE A 120 7.617 -6.906 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 120 7.277 -9.234 4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 120 9.000 -8.913 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 120 5.708 -7.456 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 120 6.351 -5.832 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 120 6.729 -7.187 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 120 8.398 -10.386 6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 120 9.020 -8.834 6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 120 7.270 -9.159 6.948 1.00 0.00 H new ATOM 205 N ILE A 121 10.475 -5.648 6.241 1.00 0.00 N ATOM 206 CA ILE A 121 11.548 -5.736 7.226 1.00 0.00 C ATOM 207 C ILE A 121 11.042 -5.299 8.596 1.00 0.00 C ATOM 208 O ILE A 121 10.388 -4.263 8.717 1.00 0.00 O ATOM 209 CB ILE A 121 12.705 -4.804 6.819 1.00 0.00 C ATOM 210 CG1 ILE A 121 12.201 -3.368 6.640 1.00 0.00 C ATOM 211 CG2 ILE A 121 13.364 -5.305 5.542 1.00 0.00 C ATOM 212 CD1 ILE A 121 12.799 -2.391 7.629 1.00 0.00 C ATOM 0 H ILE A 121 9.976 -4.758 6.240 1.00 0.00 H new ATOM 0 HA ILE A 121 11.891 -6.770 7.270 1.00 0.00 H new ATOM 0 HB ILE A 121 13.450 -4.807 7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 121 12.430 -3.034 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 121 11.116 -3.357 6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 121 14.180 -4.636 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.757 -6.309 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 121 12.628 -5.329 4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 121 12.398 -1.395 7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 121 12.548 -2.701 8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 121 13.883 -2.373 7.513 1.00 0.00 H new ATOM 224 N LYS A 122 11.416 -6.032 9.639 1.00 0.00 N ATOM 225 CA LYS A 122 11.023 -5.659 10.994 1.00 0.00 C ATOM 226 C LYS A 122 12.243 -5.590 11.907 1.00 0.00 C ATOM 227 O LYS A 122 13.079 -6.494 11.916 1.00 0.00 O ATOM 228 CB LYS A 122 10.043 -6.707 11.527 1.00 0.00 C ATOM 229 CG LYS A 122 10.562 -8.133 11.435 1.00 0.00 C ATOM 230 CD LYS A 122 10.223 -8.766 10.095 1.00 0.00 C ATOM 231 CE LYS A 122 11.244 -9.823 9.706 1.00 0.00 C ATOM 232 NZ LYS A 122 10.864 -10.531 8.453 1.00 0.00 N ATOM 0 H LYS A 122 11.983 -6.877 9.575 1.00 0.00 H new ATOM 0 HA LYS A 122 10.552 -4.676 10.974 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.813 -6.480 12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.108 -6.633 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 122 11.643 -8.137 11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 122 10.132 -8.730 12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 122 9.232 -9.216 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.185 -7.995 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 122 12.219 -9.354 9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 122 11.343 -10.546 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.587 -11.243 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.945 -11.000 8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 10.794 -9.845 7.674 1.00 0.00 H new ATOM 246 N GLU A 123 12.298 -4.547 12.729 1.00 0.00 N ATOM 247 CA GLU A 123 13.392 -4.383 13.684 1.00 0.00 C ATOM 248 C GLU A 123 12.821 -4.092 15.064 1.00 0.00 C ATOM 249 O GLU A 123 11.929 -3.255 15.201 1.00 0.00 O ATOM 250 CB GLU A 123 14.258 -3.203 13.241 1.00 0.00 C ATOM 251 CG GLU A 123 15.686 -3.270 13.758 1.00 0.00 C ATOM 252 CD GLU A 123 15.953 -2.267 14.864 1.00 0.00 C ATOM 253 OE1 GLU A 123 16.116 -1.069 14.552 1.00 0.00 O ATOM 254 OE2 GLU A 123 15.999 -2.681 16.042 1.00 0.00 O ATOM 0 H GLU A 123 11.600 -3.803 12.754 1.00 0.00 H new ATOM 0 HA GLU A 123 13.989 -5.294 13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 123 14.276 -3.165 12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.799 -2.276 13.585 1.00 0.00 H new ATOM 0 HG2 GLU A 123 15.888 -4.275 14.128 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.376 -3.089 12.934 1.00 0.00 H new ATOM 261 N GLY A 124 13.370 -4.715 16.098 1.00 0.00 N ATOM 262 CA GLY A 124 12.896 -4.450 17.448 1.00 0.00 C ATOM 263 C GLY A 124 11.421 -4.781 17.635 1.00 0.00 C ATOM 264 O GLY A 124 11.033 -5.949 17.589 1.00 0.00 O ATOM 0 H GLY A 124 14.128 -5.394 16.031 1.00 0.00 H new ATOM 0 HA2 GLY A 124 13.486 -5.032 18.156 1.00 0.00 H new ATOM 0 HA3 GLY A 124 13.060 -3.399 17.685 1.00 0.00 H new ATOM 268 N ARG A 125 10.596 -3.753 17.858 1.00 0.00 N ATOM 269 CA ARG A 125 9.158 -3.950 18.064 1.00 0.00 C ATOM 270 C ARG A 125 8.327 -3.092 17.107 1.00 0.00 C ATOM 271 O ARG A 125 7.190 -2.727 17.408 1.00 0.00 O ATOM 272 CB ARG A 125 8.783 -3.622 19.511 1.00 0.00 C ATOM 273 CG ARG A 125 7.594 -4.417 20.025 1.00 0.00 C ATOM 274 CD ARG A 125 7.770 -4.802 21.485 1.00 0.00 C ATOM 275 NE ARG A 125 8.661 -5.949 21.645 1.00 0.00 N ATOM 276 CZ ARG A 125 8.895 -6.549 22.810 1.00 0.00 C ATOM 277 NH1 ARG A 125 8.307 -6.116 23.918 1.00 0.00 N ATOM 278 NH2 ARG A 125 9.719 -7.586 22.867 1.00 0.00 N ATOM 0 H ARG A 125 10.898 -2.780 17.900 1.00 0.00 H new ATOM 0 HA ARG A 125 8.936 -4.997 17.857 1.00 0.00 H new ATOM 0 HB2 ARG A 125 9.643 -3.814 20.153 1.00 0.00 H new ATOM 0 HB3 ARG A 125 8.559 -2.558 19.588 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.684 -3.828 19.910 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.469 -5.317 19.423 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.170 -3.952 22.038 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.797 -5.035 21.918 1.00 0.00 H new ATOM 0 HE ARG A 125 9.131 -6.311 20.815 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.672 -5.319 23.880 1.00 0.00 H new ATOM 0 HH12 ARG A 125 8.490 -6.580 24.808 1.00 0.00 H new ATOM 0 HH21 ARG A 125 10.173 -7.924 22.018 1.00 0.00 H new ATOM 0 HH22 ARG A 125 9.899 -8.046 23.759 1.00 0.00 H new ATOM 292 N VAL A 126 8.905 -2.782 15.955 1.00 0.00 N ATOM 293 CA VAL A 126 8.262 -1.987 14.940 1.00 0.00 C ATOM 294 C VAL A 126 8.430 -2.680 13.596 1.00 0.00 C ATOM 295 O VAL A 126 9.521 -3.119 13.231 1.00 0.00 O ATOM 296 CB VAL A 126 8.924 -0.599 14.859 1.00 0.00 C ATOM 297 CG1 VAL A 126 8.182 0.291 13.874 1.00 0.00 C ATOM 298 CG2 VAL A 126 8.981 0.047 16.234 1.00 0.00 C ATOM 0 H VAL A 126 9.846 -3.084 15.704 1.00 0.00 H new ATOM 0 HA VAL A 126 7.207 -1.874 15.188 1.00 0.00 H new ATOM 0 HB VAL A 126 9.945 -0.725 14.500 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.665 1.267 13.831 1.00 0.00 H new ATOM 0 HG12 VAL A 126 8.200 -0.167 12.885 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.149 0.411 14.199 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.452 1.027 16.156 1.00 0.00 H new ATOM 0 HG22 VAL A 126 7.970 0.160 16.625 1.00 0.00 H new ATOM 0 HG23 VAL A 126 9.562 -0.582 16.908 1.00 0.00 H new ATOM 308 N HIS A 127 7.353 -2.701 12.845 1.00 0.00 N ATOM 309 CA HIS A 127 7.343 -3.295 11.513 1.00 0.00 C ATOM 310 C HIS A 127 7.225 -2.214 10.443 1.00 0.00 C ATOM 311 O HIS A 127 6.397 -1.313 10.541 1.00 0.00 O ATOM 312 CB HIS A 127 6.149 -4.247 11.411 1.00 0.00 C ATOM 313 CG HIS A 127 5.909 -5.045 12.656 1.00 0.00 C ATOM 314 ND1 HIS A 127 6.912 -5.712 13.327 1.00 0.00 N ATOM 315 CD2 HIS A 127 4.774 -5.273 13.356 1.00 0.00 C ATOM 316 CE1 HIS A 127 6.403 -6.316 14.386 1.00 0.00 C ATOM 317 NE2 HIS A 127 5.108 -6.065 14.426 1.00 0.00 N ATOM 0 H HIS A 127 6.456 -2.309 13.133 1.00 0.00 H new ATOM 0 HA HIS A 127 8.276 -3.836 11.354 1.00 0.00 H new ATOM 0 HB2 HIS A 127 5.253 -3.670 11.181 1.00 0.00 H new ATOM 0 HB3 HIS A 127 6.310 -4.930 10.577 1.00 0.00 H new ATOM 0 HD1 HIS A 127 7.893 -5.735 13.049 1.00 0.00 H new ATOM 0 HD2 HIS A 127 3.789 -4.901 13.117 1.00 0.00 H new ATOM 0 HE1 HIS A 127 6.953 -6.914 15.098 1.00 0.00 H new ATOM 326 N LEU A 128 8.000 -2.369 9.377 1.00 0.00 N ATOM 327 CA LEU A 128 7.970 -1.465 8.255 1.00 0.00 C ATOM 328 C LEU A 128 7.787 -2.275 6.984 1.00 0.00 C ATOM 329 O LEU A 128 8.456 -3.285 6.768 1.00 0.00 O ATOM 330 CB LEU A 128 9.293 -0.700 8.194 1.00 0.00 C ATOM 331 CG LEU A 128 9.390 0.500 9.137 1.00 0.00 C ATOM 332 CD1 LEU A 128 10.843 0.796 9.476 1.00 0.00 C ATOM 333 CD2 LEU A 128 8.726 1.720 8.516 1.00 0.00 C ATOM 0 H LEU A 128 8.668 -3.133 9.275 1.00 0.00 H new ATOM 0 HA LEU A 128 7.149 -0.756 8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.105 -1.390 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.448 -0.354 7.172 1.00 0.00 H new ATOM 0 HG LEU A 128 8.865 0.256 10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.893 1.653 10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 128 11.287 -0.072 9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 128 11.392 1.020 8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.804 2.565 9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.223 1.966 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 128 7.675 1.504 8.325 1.00 0.00 H new ATOM 345 N LEU A 129 6.938 -1.775 6.117 1.00 0.00 N ATOM 346 CA LEU A 129 6.685 -2.397 4.842 1.00 0.00 C ATOM 347 C LEU A 129 7.272 -1.532 3.745 1.00 0.00 C ATOM 348 O LEU A 129 7.087 -0.316 3.716 1.00 0.00 O ATOM 349 CB LEU A 129 5.175 -2.534 4.646 1.00 0.00 C ATOM 350 CG LEU A 129 4.753 -3.387 3.448 1.00 0.00 C ATOM 351 CD1 LEU A 129 3.488 -4.169 3.767 1.00 0.00 C ATOM 352 CD2 LEU A 129 4.546 -2.514 2.220 1.00 0.00 C ATOM 0 H LEU A 129 6.402 -0.922 6.278 1.00 0.00 H new ATOM 0 HA LEU A 129 7.145 -3.385 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 129 4.744 -2.965 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 129 4.747 -1.538 4.533 1.00 0.00 H new ATOM 0 HG LEU A 129 5.551 -4.099 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.204 -4.769 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.670 -4.823 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.682 -3.475 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 129 4.246 -3.137 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 129 3.767 -1.779 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 129 5.476 -2.000 1.978 1.00 0.00 H new ATOM 364 N LYS A 130 7.913 -2.186 2.817 1.00 0.00 N ATOM 365 CA LYS A 130 8.511 -1.539 1.677 1.00 0.00 C ATOM 366 C LYS A 130 8.067 -2.243 0.406 1.00 0.00 C ATOM 367 O LYS A 130 8.097 -3.470 0.308 1.00 0.00 O ATOM 368 CB LYS A 130 10.033 -1.620 1.800 1.00 0.00 C ATOM 369 CG LYS A 130 10.646 -0.445 2.545 1.00 0.00 C ATOM 370 CD LYS A 130 11.981 -0.818 3.169 1.00 0.00 C ATOM 371 CE LYS A 130 12.718 0.409 3.681 1.00 0.00 C ATOM 372 NZ LYS A 130 13.744 0.886 2.713 1.00 0.00 N ATOM 0 H LYS A 130 8.038 -3.198 2.829 1.00 0.00 H new ATOM 0 HA LYS A 130 8.200 -0.495 1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.299 -2.544 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.468 -1.673 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 130 10.784 0.390 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 130 9.961 -0.108 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 130 11.818 -1.515 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.597 -1.333 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 130 12.002 1.208 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 130 13.197 0.174 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 14.223 1.724 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.442 0.133 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 13.284 1.135 1.814 1.00 0.00 H new ATOM 386 N CYS A 131 7.755 -1.449 -0.589 1.00 0.00 N ATOM 387 CA CYS A 131 7.378 -1.945 -1.888 1.00 0.00 C ATOM 388 C CYS A 131 8.381 -1.411 -2.880 1.00 0.00 C ATOM 389 O CYS A 131 8.709 -0.213 -2.863 1.00 0.00 O ATOM 390 CB CYS A 131 5.974 -1.441 -2.238 1.00 0.00 C ATOM 391 SG CYS A 131 5.310 -2.104 -3.802 1.00 0.00 S ATOM 0 H CYS A 131 7.756 -0.431 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 131 7.367 -3.035 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 131 5.294 -1.703 -1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 131 5.995 -0.353 -2.298 1.00 0.00 H new ATOM 396 N MET A 132 8.821 -2.277 -3.777 1.00 0.00 N ATOM 397 CA MET A 132 9.769 -1.878 -4.787 1.00 0.00 C ATOM 398 C MET A 132 9.111 -1.817 -6.149 1.00 0.00 C ATOM 399 O MET A 132 8.432 -2.750 -6.588 1.00 0.00 O ATOM 400 CB MET A 132 10.932 -2.871 -4.819 1.00 0.00 C ATOM 401 CG MET A 132 12.086 -2.488 -3.906 1.00 0.00 C ATOM 402 SD MET A 132 12.862 -0.931 -4.381 1.00 0.00 S ATOM 403 CE MET A 132 14.305 -1.527 -5.260 1.00 0.00 C ATOM 0 H MET A 132 8.535 -3.255 -3.822 1.00 0.00 H new ATOM 0 HA MET A 132 10.142 -0.884 -4.540 1.00 0.00 H new ATOM 0 HB2 MET A 132 10.565 -3.857 -4.533 1.00 0.00 H new ATOM 0 HB3 MET A 132 11.301 -2.953 -5.842 1.00 0.00 H new ATOM 0 HG2 MET A 132 11.723 -2.410 -2.881 1.00 0.00 H new ATOM 0 HG3 MET A 132 12.834 -3.281 -3.920 1.00 0.00 H new ATOM 0 HE1 MET A 132 14.889 -0.679 -5.617 1.00 0.00 H new ATOM 0 HE2 MET A 132 14.916 -2.132 -4.589 1.00 0.00 H new ATOM 0 HE3 MET A 132 13.989 -2.133 -6.109 1.00 0.00 H new ATOM 413 N ALA A 133 9.366 -0.690 -6.796 1.00 0.00 N ATOM 414 CA ALA A 133 8.862 -0.366 -8.134 1.00 0.00 C ATOM 415 C ALA A 133 8.262 1.027 -8.097 1.00 0.00 C ATOM 416 O ALA A 133 8.437 1.828 -9.015 1.00 0.00 O ATOM 417 CB ALA A 133 7.830 -1.373 -8.622 1.00 0.00 C ATOM 0 H ALA A 133 9.945 0.050 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 133 9.694 -0.407 -8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 133 7.487 -1.089 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 133 8.280 -2.365 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.983 -1.387 -7.937 1.00 0.00 H new ATOM 423 N CYS A 134 7.579 1.306 -6.995 1.00 0.00 N ATOM 424 CA CYS A 134 6.964 2.601 -6.766 1.00 0.00 C ATOM 425 C CYS A 134 7.704 3.333 -5.646 1.00 0.00 C ATOM 426 O CYS A 134 7.504 4.529 -5.433 1.00 0.00 O ATOM 427 CB CYS A 134 5.488 2.430 -6.397 1.00 0.00 C ATOM 428 SG CYS A 134 5.210 1.599 -4.797 1.00 0.00 S ATOM 0 H CYS A 134 7.437 0.639 -6.236 1.00 0.00 H new ATOM 0 HA CYS A 134 7.027 3.190 -7.681 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.015 3.412 -6.371 1.00 0.00 H new ATOM 0 HB3 CYS A 134 4.993 1.858 -7.182 1.00 0.00 H new ATOM 433 N GLY A 135 8.557 2.596 -4.926 1.00 0.00 N ATOM 434 CA GLY A 135 9.307 3.180 -3.834 1.00 0.00 C ATOM 435 C GLY A 135 8.396 3.732 -2.764 1.00 0.00 C ATOM 436 O GLY A 135 8.315 4.946 -2.578 1.00 0.00 O ATOM 0 H GLY A 135 8.737 1.605 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.964 2.426 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 135 9.945 3.977 -4.216 1.00 0.00 H new ATOM 440 N ALA A 136 7.688 2.846 -2.068 1.00 0.00 N ATOM 441 CA ALA A 136 6.762 3.291 -1.025 1.00 0.00 C ATOM 442 C ALA A 136 7.092 2.661 0.322 1.00 0.00 C ATOM 443 O ALA A 136 7.305 1.453 0.414 1.00 0.00 O ATOM 444 CB ALA A 136 5.351 2.906 -1.440 1.00 0.00 C ATOM 0 H ALA A 136 7.734 1.836 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 136 6.850 4.372 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 136 4.646 3.230 -0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 136 5.106 3.388 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 136 5.289 1.824 -1.557 1.00 0.00 H new ATOM 450 N ILE A 137 7.041 3.461 1.381 1.00 0.00 N ATOM 451 CA ILE A 137 7.283 2.948 2.725 1.00 0.00 C ATOM 452 C ILE A 137 6.147 3.342 3.664 1.00 0.00 C ATOM 453 O ILE A 137 5.730 4.500 3.704 1.00 0.00 O ATOM 454 CB ILE A 137 8.599 3.530 3.275 1.00 0.00 C ATOM 455 CG1 ILE A 137 8.619 5.052 3.114 1.00 0.00 C ATOM 456 CG2 ILE A 137 9.792 2.901 2.571 1.00 0.00 C ATOM 457 CD1 ILE A 137 9.144 5.782 4.332 1.00 0.00 C ATOM 0 H ILE A 137 6.836 4.459 1.337 1.00 0.00 H new ATOM 0 HA ILE A 137 7.345 1.861 2.669 1.00 0.00 H new ATOM 0 HB ILE A 137 8.665 3.297 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 137 9.235 5.310 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 137 7.609 5.400 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 137 10.714 3.323 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 137 9.785 1.823 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 137 9.733 3.106 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 137 9.130 6.856 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 137 8.515 5.554 5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 137 10.166 5.463 4.535 1.00 0.00 H new ATOM 469 N ARG A 138 5.704 2.387 4.475 1.00 0.00 N ATOM 470 CA ARG A 138 4.650 2.634 5.450 1.00 0.00 C ATOM 471 C ARG A 138 5.069 2.122 6.831 1.00 0.00 C ATOM 472 O ARG A 138 5.564 0.999 6.963 1.00 0.00 O ATOM 473 CB ARG A 138 3.389 1.892 5.006 1.00 0.00 C ATOM 474 CG ARG A 138 2.104 2.504 5.541 1.00 0.00 C ATOM 475 CD ARG A 138 0.880 1.745 5.056 1.00 0.00 C ATOM 476 NE ARG A 138 0.732 0.457 5.731 1.00 0.00 N ATOM 477 CZ ARG A 138 -0.403 -0.236 5.764 1.00 0.00 C ATOM 478 NH1 ARG A 138 -1.492 0.231 5.165 1.00 0.00 N ATOM 479 NH2 ARG A 138 -0.452 -1.399 6.399 1.00 0.00 N ATOM 0 H ARG A 138 6.061 1.431 4.475 1.00 0.00 H new ATOM 0 HA ARG A 138 4.463 3.706 5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.350 1.879 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.453 0.855 5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 138 2.126 2.503 6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 138 2.037 3.545 5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -0.012 2.348 5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 138 0.956 1.584 3.981 1.00 0.00 H new ATOM 0 HE ARG A 138 1.547 0.067 6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -1.461 1.126 4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -2.359 -0.305 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 138 0.381 -1.763 6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -1.322 -1.930 6.424 1.00 0.00 H new ATOM 493 N PRO A 139 4.800 2.911 7.890 1.00 0.00 N ATOM 494 CA PRO A 139 5.100 2.537 9.263 1.00 0.00 C ATOM 495 C PRO A 139 3.907 1.890 9.962 1.00 0.00 C ATOM 496 O PRO A 139 2.779 2.373 9.856 1.00 0.00 O ATOM 497 CB PRO A 139 5.408 3.892 9.888 1.00 0.00 C ATOM 498 CG PRO A 139 4.491 4.846 9.186 1.00 0.00 C ATOM 499 CD PRO A 139 4.150 4.232 7.843 1.00 0.00 C ATOM 0 HA PRO A 139 5.900 1.801 9.340 1.00 0.00 H new ATOM 0 HB2 PRO A 139 5.226 3.884 10.963 1.00 0.00 H new ATOM 0 HB3 PRO A 139 6.453 4.167 9.744 1.00 0.00 H new ATOM 0 HG2 PRO A 139 3.588 5.014 9.773 1.00 0.00 H new ATOM 0 HG3 PRO A 139 4.971 5.816 9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 139 3.072 4.144 7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 139 4.529 4.836 7.018 1.00 0.00 H new ATOM 507 N ILE A 140 4.158 0.799 10.677 1.00 0.00 N ATOM 508 CA ILE A 140 3.099 0.095 11.392 1.00 0.00 C ATOM 509 C ILE A 140 3.628 -0.540 12.675 1.00 0.00 C ATOM 510 O ILE A 140 4.793 -0.926 12.755 1.00 0.00 O ATOM 511 CB ILE A 140 2.458 -0.999 10.517 1.00 0.00 C ATOM 512 CG1 ILE A 140 3.538 -1.873 9.879 1.00 0.00 C ATOM 513 CG2 ILE A 140 1.575 -0.373 9.448 1.00 0.00 C ATOM 514 CD1 ILE A 140 3.025 -3.211 9.394 1.00 0.00 C ATOM 0 H ILE A 140 5.084 0.383 10.777 1.00 0.00 H new ATOM 0 HA ILE A 140 2.342 0.838 11.643 1.00 0.00 H new ATOM 0 HB ILE A 140 1.836 -1.631 11.151 1.00 0.00 H new ATOM 0 HG12 ILE A 140 3.979 -1.336 9.039 1.00 0.00 H new ATOM 0 HG13 ILE A 140 4.334 -2.040 10.604 1.00 0.00 H new ATOM 0 HG21 ILE A 140 1.129 -1.159 8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 140 0.785 0.209 9.923 1.00 0.00 H new ATOM 0 HG23 ILE A 140 2.177 0.280 8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 140 3.846 -3.777 8.953 1.00 0.00 H new ATOM 0 HD12 ILE A 140 2.610 -3.768 10.234 1.00 0.00 H new ATOM 0 HD13 ILE A 140 2.249 -3.053 8.645 1.00 0.00 H new ATOM 526 N ARG A 141 2.759 -0.643 13.677 1.00 0.00 N ATOM 527 CA ARG A 141 3.132 -1.230 14.960 1.00 0.00 C ATOM 528 C ARG A 141 4.223 -0.408 15.641 1.00 0.00 C ATOM 529 O ARG A 141 5.407 -0.560 15.342 1.00 0.00 O ATOM 530 CB ARG A 141 3.604 -2.674 14.767 1.00 0.00 C ATOM 531 CG ARG A 141 2.648 -3.708 15.342 1.00 0.00 C ATOM 532 CD ARG A 141 3.074 -4.151 16.733 1.00 0.00 C ATOM 533 NE ARG A 141 3.219 -5.602 16.825 1.00 0.00 N ATOM 534 CZ ARG A 141 3.888 -6.220 17.795 1.00 0.00 C ATOM 535 NH1 ARG A 141 4.476 -5.519 18.757 1.00 0.00 N ATOM 536 NH2 ARG A 141 3.970 -7.544 17.804 1.00 0.00 N ATOM 0 H ARG A 141 1.791 -0.327 13.625 1.00 0.00 H new ATOM 0 HA ARG A 141 2.251 -1.228 15.602 1.00 0.00 H new ATOM 0 HB2 ARG A 141 3.736 -2.865 13.702 1.00 0.00 H new ATOM 0 HB3 ARG A 141 4.581 -2.794 15.236 1.00 0.00 H new ATOM 0 HG2 ARG A 141 1.642 -3.290 15.385 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.606 -4.573 14.681 1.00 0.00 H new ATOM 0 HD2 ARG A 141 4.020 -3.675 16.991 1.00 0.00 H new ATOM 0 HD3 ARG A 141 2.338 -3.813 17.462 1.00 0.00 H new ATOM 0 HE ARG A 141 2.782 -6.175 16.103 1.00 0.00 H new ATOM 0 HH11 ARG A 141 4.416 -4.501 18.755 1.00 0.00 H new ATOM 0 HH12 ARG A 141 4.987 -5.999 19.498 1.00 0.00 H new ATOM 0 HH21 ARG A 141 3.520 -8.088 17.068 1.00 0.00 H new ATOM 0 HH22 ARG A 141 4.483 -8.018 18.547 1.00 0.00 H new ATOM 550 N MET A 142 3.813 0.462 16.558 1.00 0.00 N ATOM 551 CA MET A 142 4.754 1.308 17.284 1.00 0.00 C ATOM 552 C MET A 142 4.913 0.831 18.724 1.00 0.00 C ATOM 553 O MET A 142 4.378 -0.210 19.106 1.00 0.00 O ATOM 554 CB MET A 142 4.281 2.764 17.264 1.00 0.00 C ATOM 555 CG MET A 142 4.973 3.613 16.210 1.00 0.00 C ATOM 556 SD MET A 142 4.266 5.266 16.077 1.00 0.00 S ATOM 557 CE MET A 142 4.834 6.002 17.608 1.00 0.00 C ATOM 0 H MET A 142 2.836 0.600 16.816 1.00 0.00 H new ATOM 0 HA MET A 142 5.723 1.241 16.790 1.00 0.00 H new ATOM 0 HB2 MET A 142 3.206 2.786 17.088 1.00 0.00 H new ATOM 0 HB3 MET A 142 4.452 3.207 18.245 1.00 0.00 H new ATOM 0 HG2 MET A 142 6.033 3.694 16.452 1.00 0.00 H new ATOM 0 HG3 MET A 142 4.904 3.114 15.244 1.00 0.00 H new ATOM 0 HE1 MET A 142 4.615 7.070 17.602 1.00 0.00 H new ATOM 0 HE2 MET A 142 4.324 5.532 18.449 1.00 0.00 H new ATOM 0 HE3 MET A 142 5.909 5.853 17.707 1.00 0.00 H new ATOM 567 N ILE A 143 5.652 1.598 19.519 1.00 0.00 N ATOM 568 CA ILE A 143 5.881 1.253 20.916 1.00 0.00 C ATOM 569 C ILE A 143 5.651 2.458 21.824 1.00 0.00 C ATOM 570 O ILE A 143 5.566 3.587 21.297 1.00 0.00 O ATOM 571 CB ILE A 143 7.310 0.716 21.135 1.00 0.00 C ATOM 572 CG1 ILE A 143 7.496 0.267 22.586 1.00 0.00 C ATOM 573 CG2 ILE A 143 8.340 1.773 20.766 1.00 0.00 C ATOM 574 CD1 ILE A 143 8.724 -0.592 22.800 1.00 0.00 C ATOM 575 OXT ILE A 143 5.557 2.262 23.054 1.00 0.00 O ATOM 0 H ILE A 143 6.102 2.463 19.219 1.00 0.00 H new ATOM 0 HA ILE A 143 5.167 0.470 21.172 1.00 0.00 H new ATOM 0 HB ILE A 143 7.457 -0.147 20.486 1.00 0.00 H new ATOM 0 HG12 ILE A 143 7.563 1.148 23.225 1.00 0.00 H new ATOM 0 HG13 ILE A 143 6.614 -0.290 22.902 1.00 0.00 H new ATOM 0 HG21 ILE A 143 9.342 1.376 20.927 1.00 0.00 H new ATOM 0 HG22 ILE A 143 8.222 2.046 19.717 1.00 0.00 H new ATOM 0 HG23 ILE A 143 8.195 2.656 21.389 1.00 0.00 H new ATOM 0 HD11 ILE A 143 8.793 -0.873 23.851 1.00 0.00 H new ATOM 0 HD12 ILE A 143 8.651 -1.491 22.188 1.00 0.00 H new ATOM 0 HD13 ILE A 143 9.614 -0.031 22.516 1.00 0.00 H new TER 587 ILE A 143 HETATM 588 ZN ZN A 144 4.233 -0.495 -5.111 1.00 0.00 ZN