USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 272 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 6 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-3.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.42 K(o=-1.4,f=-3!) USER MOD Single : A 14 LYS NZ :NH3+ -135:sc= -1.73 (180deg=-4.78!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0225 (180deg=-0.379) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0298 (180deg=-0.364) USER MOD Single : A 22 LYS NZ :NH3+ -108:sc= -0.735 (180deg=-3.69!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.784 K(o=-0.78,f=-8.6!) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -2.23! (180deg=-3.31!) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 4.614 -1.598 -1.546 1.00 1.00 N ATOM 11 CA ASP A 2 4.879 -2.540 -2.658 1.00 1.00 C ATOM 12 C ASP A 2 5.579 -3.806 -2.134 1.00 1.00 C ATOM 13 O ASP A 2 6.641 -4.172 -2.596 1.00 1.00 O ATOM 14 CB ASP A 2 5.735 -1.814 -3.676 1.00 1.00 C ATOM 15 CG ASP A 2 5.075 -0.482 -4.082 1.00 1.00 C ATOM 16 OD1 ASP A 2 4.037 -0.558 -4.719 1.00 1.00 O ATOM 17 OD2 ASP A 2 5.646 0.536 -3.726 1.00 1.00 O ATOM 0 HA ASP A 2 3.948 -2.864 -3.123 1.00 1.00 H new ATOM 0 HB2 ASP A 2 6.724 -1.625 -3.260 1.00 1.00 H new ATOM 0 HB3 ASP A 2 5.874 -2.441 -4.557 1.00 1.00 H new ATOM 22 N CYS A 3 4.962 -4.460 -1.182 1.00 1.00 N ATOM 23 CA CYS A 3 5.576 -5.697 -0.613 1.00 1.00 C ATOM 24 C CYS A 3 5.364 -6.896 -1.542 1.00 1.00 C ATOM 25 O CYS A 3 4.510 -7.740 -1.342 1.00 1.00 O ATOM 26 CB CYS A 3 4.956 -5.973 0.763 1.00 1.00 C ATOM 27 SG CYS A 3 5.280 -4.802 2.105 1.00 1.00 S ATOM 0 H CYS A 3 4.065 -4.192 -0.777 1.00 1.00 H new ATOM 0 HA CYS A 3 6.651 -5.545 -0.511 1.00 1.00 H new ATOM 0 HB2 CYS A 3 3.876 -6.038 0.633 1.00 1.00 H new ATOM 0 HB3 CYS A 3 5.298 -6.955 1.090 1.00 1.00 H new ATOM 32 N LEU A 4 6.192 -6.901 -2.553 1.00 1.00 N ATOM 33 CA LEU A 4 6.167 -7.981 -3.586 1.00 1.00 C ATOM 34 C LEU A 4 6.681 -9.300 -2.960 1.00 1.00 C ATOM 35 O LEU A 4 7.253 -9.271 -1.887 1.00 1.00 O ATOM 36 CB LEU A 4 7.079 -7.541 -4.760 1.00 1.00 C ATOM 37 CG LEU A 4 6.561 -6.245 -5.449 1.00 1.00 C ATOM 38 CD1 LEU A 4 7.526 -5.880 -6.595 1.00 1.00 C ATOM 39 CD2 LEU A 4 5.148 -6.455 -6.045 1.00 1.00 C ATOM 0 H LEU A 4 6.901 -6.185 -2.710 1.00 1.00 H new ATOM 0 HA LEU A 4 5.154 -8.148 -3.952 1.00 1.00 H new ATOM 0 HB2 LEU A 4 8.091 -7.375 -4.390 1.00 1.00 H new ATOM 0 HB3 LEU A 4 7.136 -8.344 -5.495 1.00 1.00 H new ATOM 0 HG LEU A 4 6.511 -5.450 -4.704 1.00 1.00 H new ATOM 0 HD11 LEU A 4 7.178 -4.973 -7.089 1.00 1.00 H new ATOM 0 HD12 LEU A 4 8.524 -5.712 -6.191 1.00 1.00 H new ATOM 0 HD13 LEU A 4 7.559 -6.696 -7.316 1.00 1.00 H new ATOM 0 HD21 LEU A 4 4.813 -5.533 -6.520 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.181 -7.253 -6.786 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.454 -6.727 -5.249 1.00 1.00 H new ATOM 51 N PRO A 5 6.471 -10.417 -3.628 1.00 1.00 N ATOM 52 CA PRO A 5 7.091 -11.728 -3.256 1.00 1.00 C ATOM 53 C PRO A 5 8.625 -11.670 -3.430 1.00 1.00 C ATOM 54 O PRO A 5 9.229 -10.671 -3.091 1.00 1.00 O ATOM 55 CB PRO A 5 6.352 -12.723 -4.180 1.00 1.00 C ATOM 56 CG PRO A 5 6.087 -11.875 -5.439 1.00 1.00 C ATOM 57 CD PRO A 5 5.600 -10.551 -4.837 1.00 1.00 C ATOM 0 HA PRO A 5 6.981 -12.022 -2.212 1.00 1.00 H new ATOM 0 HB2 PRO A 5 6.961 -13.600 -4.402 1.00 1.00 H new ATOM 0 HB3 PRO A 5 5.426 -13.083 -3.731 1.00 1.00 H new ATOM 0 HG2 PRO A 5 6.988 -11.743 -6.039 1.00 1.00 H new ATOM 0 HG3 PRO A 5 5.337 -12.329 -6.086 1.00 1.00 H new ATOM 0 HD2 PRO A 5 5.730 -9.717 -5.527 1.00 1.00 H new ATOM 0 HD3 PRO A 5 4.542 -10.587 -4.575 1.00 1.00 H new ATOM 65 N HIS A 6 9.206 -12.733 -3.936 1.00 1.00 N ATOM 66 CA HIS A 6 10.681 -12.828 -4.169 1.00 1.00 C ATOM 67 C HIS A 6 11.300 -11.521 -4.695 1.00 1.00 C ATOM 68 O HIS A 6 10.632 -10.708 -5.302 1.00 1.00 O ATOM 69 CB HIS A 6 10.907 -13.972 -5.179 1.00 1.00 C ATOM 70 CG HIS A 6 12.380 -14.092 -5.593 1.00 1.00 C ATOM 71 ND1 HIS A 6 13.337 -14.538 -4.850 1.00 1.00 N ATOM 72 CD2 HIS A 6 12.999 -13.767 -6.790 1.00 1.00 C ATOM 73 CE1 HIS A 6 14.451 -14.502 -5.508 1.00 1.00 C ATOM 74 NE2 HIS A 6 14.289 -14.029 -6.719 1.00 1.00 N ATOM 0 H HIS A 6 8.694 -13.572 -4.207 1.00 1.00 H new ATOM 0 HA HIS A 6 11.176 -13.022 -3.217 1.00 1.00 H new ATOM 0 HB2 HIS A 6 10.576 -14.913 -4.740 1.00 1.00 H new ATOM 0 HB3 HIS A 6 10.295 -13.800 -6.064 1.00 1.00 H new ATOM 0 HD1 HIS A 6 13.231 -14.868 -3.891 1.00 1.00 H new ATOM 0 HD2 HIS A 6 12.497 -13.359 -7.655 1.00 1.00 H new ATOM 0 HE1 HIS A 6 15.401 -14.823 -5.107 1.00 1.00 H new ATOM 82 N LEU A 7 12.571 -11.403 -4.414 1.00 1.00 N ATOM 83 CA LEU A 7 13.406 -10.235 -4.813 1.00 1.00 C ATOM 84 C LEU A 7 13.647 -10.251 -6.331 1.00 1.00 C ATOM 85 O LEU A 7 14.747 -10.450 -6.808 1.00 1.00 O ATOM 86 CB LEU A 7 14.754 -10.284 -4.009 1.00 1.00 C ATOM 87 CG LEU A 7 15.539 -11.627 -4.177 1.00 1.00 C ATOM 88 CD1 LEU A 7 17.047 -11.331 -4.080 1.00 1.00 C ATOM 89 CD2 LEU A 7 15.213 -12.592 -3.002 1.00 1.00 C ATOM 0 H LEU A 7 13.090 -12.111 -3.895 1.00 1.00 H new ATOM 0 HA LEU A 7 12.892 -9.303 -4.578 1.00 1.00 H new ATOM 0 HB2 LEU A 7 15.389 -9.459 -4.332 1.00 1.00 H new ATOM 0 HB3 LEU A 7 14.542 -10.128 -2.951 1.00 1.00 H new ATOM 0 HG LEU A 7 15.262 -12.071 -5.133 1.00 1.00 H new ATOM 0 HD11 LEU A 7 17.608 -12.258 -4.195 1.00 1.00 H new ATOM 0 HD12 LEU A 7 17.332 -10.634 -4.868 1.00 1.00 H new ATOM 0 HD13 LEU A 7 17.270 -10.891 -3.108 1.00 1.00 H new ATOM 0 HD21 LEU A 7 15.766 -13.523 -3.131 1.00 1.00 H new ATOM 0 HD22 LEU A 7 15.501 -12.127 -2.059 1.00 1.00 H new ATOM 0 HD23 LEU A 7 14.144 -12.804 -2.991 1.00 1.00 H new ATOM 101 N LYS A 8 12.570 -10.039 -7.043 1.00 1.00 N ATOM 102 CA LYS A 8 12.594 -10.015 -8.530 1.00 1.00 C ATOM 103 C LYS A 8 13.301 -8.764 -9.034 1.00 1.00 C ATOM 104 O LYS A 8 13.529 -7.831 -8.284 1.00 1.00 O ATOM 105 CB LYS A 8 11.150 -10.063 -9.036 1.00 1.00 C ATOM 106 CG LYS A 8 10.318 -8.866 -8.500 1.00 1.00 C ATOM 107 CD LYS A 8 8.839 -9.131 -8.814 1.00 1.00 C ATOM 108 CE LYS A 8 8.340 -10.314 -7.950 1.00 1.00 C ATOM 109 NZ LYS A 8 7.711 -11.355 -8.808 1.00 1.00 N ATOM 0 H LYS A 8 11.648 -9.877 -6.638 1.00 1.00 H new ATOM 0 HA LYS A 8 13.145 -10.877 -8.907 1.00 1.00 H new ATOM 0 HB2 LYS A 8 11.145 -10.052 -10.126 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.685 -10.999 -8.725 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.464 -8.752 -7.426 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.645 -7.937 -8.966 1.00 1.00 H new ATOM 0 HD2 LYS A 8 8.246 -8.240 -8.609 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.715 -9.360 -9.872 1.00 1.00 H new ATOM 0 HE2 LYS A 8 9.174 -10.745 -7.396 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.620 -9.957 -7.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 7.381 -12.142 -8.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 6.903 -10.943 -9.317 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 8.409 -11.708 -9.494 1.00 1.00 H new ATOM 123 N LEU A 9 13.616 -8.795 -10.302 1.00 1.00 N ATOM 124 CA LEU A 9 14.301 -7.679 -10.959 1.00 1.00 C ATOM 125 C LEU A 9 13.468 -6.386 -10.941 1.00 1.00 C ATOM 126 O LEU A 9 12.260 -6.417 -10.807 1.00 1.00 O ATOM 127 CB LEU A 9 14.603 -8.131 -12.388 1.00 1.00 C ATOM 128 CG LEU A 9 13.324 -8.507 -13.217 1.00 1.00 C ATOM 129 CD1 LEU A 9 13.571 -8.130 -14.695 1.00 1.00 C ATOM 130 CD2 LEU A 9 13.065 -10.041 -13.189 1.00 1.00 C ATOM 0 H LEU A 9 13.413 -9.583 -10.918 1.00 1.00 H new ATOM 0 HA LEU A 9 15.218 -7.434 -10.423 1.00 1.00 H new ATOM 0 HB2 LEU A 9 15.139 -7.335 -12.905 1.00 1.00 H new ATOM 0 HB3 LEU A 9 15.269 -8.993 -12.353 1.00 1.00 H new ATOM 0 HG LEU A 9 12.474 -7.979 -12.785 1.00 1.00 H new ATOM 0 HD11 LEU A 9 12.692 -8.384 -15.287 1.00 1.00 H new ATOM 0 HD12 LEU A 9 13.762 -7.060 -14.770 1.00 1.00 H new ATOM 0 HD13 LEU A 9 14.434 -8.680 -15.072 1.00 1.00 H new ATOM 0 HD21 LEU A 9 12.173 -10.270 -13.772 1.00 1.00 H new ATOM 0 HD22 LEU A 9 13.921 -10.562 -13.617 1.00 1.00 H new ATOM 0 HD23 LEU A 9 12.919 -10.367 -12.159 1.00 1.00 H new ATOM 142 N CYS A 10 14.167 -5.289 -11.077 1.00 1.00 N ATOM 143 CA CYS A 10 13.536 -3.945 -11.085 1.00 1.00 C ATOM 144 C CYS A 10 14.562 -2.887 -11.527 1.00 1.00 C ATOM 145 O CYS A 10 15.702 -3.199 -11.823 1.00 1.00 O ATOM 146 CB CYS A 10 13.007 -3.580 -9.663 1.00 1.00 C ATOM 147 SG CYS A 10 13.946 -2.372 -8.692 1.00 1.00 S ATOM 0 H CYS A 10 15.181 -5.275 -11.186 1.00 1.00 H new ATOM 0 HA CYS A 10 12.700 -3.963 -11.784 1.00 1.00 H new ATOM 0 HB2 CYS A 10 11.990 -3.204 -9.771 1.00 1.00 H new ATOM 0 HB3 CYS A 10 12.946 -4.501 -9.083 1.00 1.00 H new ATOM 152 N LYS A 11 14.089 -1.664 -11.552 1.00 1.00 N ATOM 153 CA LYS A 11 14.914 -0.478 -11.949 1.00 1.00 C ATOM 154 C LYS A 11 14.908 0.606 -10.858 1.00 1.00 C ATOM 155 O LYS A 11 15.878 1.320 -10.694 1.00 1.00 O ATOM 156 CB LYS A 11 14.385 0.156 -13.266 1.00 1.00 C ATOM 157 CG LYS A 11 12.831 0.198 -13.326 1.00 1.00 C ATOM 158 CD LYS A 11 12.380 -0.720 -14.480 1.00 1.00 C ATOM 159 CE LYS A 11 12.853 -2.166 -14.218 1.00 1.00 C ATOM 160 NZ LYS A 11 12.820 -2.935 -15.476 1.00 1.00 N ATOM 0 H LYS A 11 13.127 -1.431 -11.304 1.00 1.00 H new ATOM 0 HA LYS A 11 15.931 -0.843 -12.093 1.00 1.00 H new ATOM 0 HB2 LYS A 11 14.776 1.169 -13.360 1.00 1.00 H new ATOM 0 HB3 LYS A 11 14.763 -0.412 -14.116 1.00 1.00 H new ATOM 0 HG2 LYS A 11 12.403 -0.137 -12.381 1.00 1.00 H new ATOM 0 HG3 LYS A 11 12.482 1.218 -13.490 1.00 1.00 H new ATOM 0 HD2 LYS A 11 11.294 -0.695 -14.573 1.00 1.00 H new ATOM 0 HD3 LYS A 11 12.789 -0.360 -15.424 1.00 1.00 H new ATOM 0 HE2 LYS A 11 13.864 -2.160 -13.810 1.00 1.00 H new ATOM 0 HE3 LYS A 11 12.212 -2.639 -13.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 13.139 -3.908 -15.296 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 11.849 -2.952 -15.847 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 13.449 -2.488 -16.173 1.00 1.00 H new ATOM 174 N GLU A 12 13.805 0.691 -10.152 1.00 1.00 N ATOM 175 CA GLU A 12 13.637 1.703 -9.052 1.00 1.00 C ATOM 176 C GLU A 12 13.377 1.091 -7.660 1.00 1.00 C ATOM 177 O GLU A 12 12.991 -0.054 -7.539 1.00 1.00 O ATOM 178 CB GLU A 12 12.472 2.622 -9.461 1.00 1.00 C ATOM 179 CG GLU A 12 11.192 1.769 -9.622 1.00 1.00 C ATOM 180 CD GLU A 12 10.068 2.594 -10.275 1.00 1.00 C ATOM 181 OE1 GLU A 12 9.674 3.574 -9.667 1.00 1.00 O ATOM 182 OE2 GLU A 12 9.663 2.195 -11.354 1.00 1.00 O ATOM 0 H GLU A 12 12.994 0.089 -10.294 1.00 1.00 H new ATOM 0 HA GLU A 12 14.575 2.248 -8.943 1.00 1.00 H new ATOM 0 HB2 GLU A 12 12.318 3.394 -8.707 1.00 1.00 H new ATOM 0 HB3 GLU A 12 12.705 3.132 -10.396 1.00 1.00 H new ATOM 0 HG2 GLU A 12 11.408 0.892 -10.232 1.00 1.00 H new ATOM 0 HG3 GLU A 12 10.865 1.407 -8.647 1.00 1.00 H new ATOM 189 N ASN A 13 13.595 1.896 -6.647 1.00 1.00 N ATOM 190 CA ASN A 13 13.393 1.466 -5.232 1.00 1.00 C ATOM 191 C ASN A 13 11.920 1.122 -4.958 1.00 1.00 C ATOM 192 O ASN A 13 11.621 0.119 -4.331 1.00 1.00 O ATOM 193 CB ASN A 13 13.881 2.610 -4.306 1.00 1.00 C ATOM 194 CG ASN A 13 13.126 3.922 -4.568 1.00 1.00 C ATOM 195 OD1 ASN A 13 12.007 4.114 -4.136 1.00 1.00 O ATOM 196 ND2 ASN A 13 13.706 4.850 -5.278 1.00 1.00 N ATOM 0 H ASN A 13 13.913 2.860 -6.749 1.00 1.00 H new ATOM 0 HA ASN A 13 13.967 0.560 -5.037 1.00 1.00 H new ATOM 0 HB2 ASN A 13 13.747 2.316 -3.265 1.00 1.00 H new ATOM 0 HB3 ASN A 13 14.949 2.769 -4.458 1.00 1.00 H new ATOM 0 HD21 ASN A 13 13.220 5.727 -5.466 1.00 1.00 H new ATOM 0 HD22 ASN A 13 14.645 4.699 -5.645 1.00 1.00 H new ATOM 203 N LYS A 14 11.066 1.989 -5.458 1.00 1.00 N ATOM 204 CA LYS A 14 9.578 1.856 -5.318 1.00 1.00 C ATOM 205 C LYS A 14 9.122 0.404 -5.459 1.00 1.00 C ATOM 206 O LYS A 14 8.139 -0.003 -4.872 1.00 1.00 O ATOM 207 CB LYS A 14 8.910 2.741 -6.387 1.00 1.00 C ATOM 208 CG LYS A 14 9.115 4.229 -5.991 1.00 1.00 C ATOM 209 CD LYS A 14 8.572 5.237 -7.042 1.00 1.00 C ATOM 210 CE LYS A 14 7.085 5.000 -7.394 1.00 1.00 C ATOM 211 NZ LYS A 14 6.923 3.784 -8.244 1.00 1.00 N ATOM 0 H LYS A 14 11.355 2.817 -5.979 1.00 1.00 H new ATOM 0 HA LYS A 14 9.283 2.181 -4.320 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.346 2.546 -7.367 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.847 2.511 -6.459 1.00 1.00 H new ATOM 0 HG2 LYS A 14 8.622 4.413 -5.036 1.00 1.00 H new ATOM 0 HG3 LYS A 14 10.179 4.412 -5.841 1.00 1.00 H new ATOM 0 HD2 LYS A 14 8.692 6.251 -6.661 1.00 1.00 H new ATOM 0 HD3 LYS A 14 9.171 5.165 -7.950 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.504 4.888 -6.478 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.689 5.870 -7.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.273 3.993 -9.029 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 7.848 3.502 -8.626 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 6.535 3.008 -7.670 1.00 1.00 H new ATOM 225 N ASP A 15 9.881 -0.311 -6.251 1.00 1.00 N ATOM 226 CA ASP A 15 9.639 -1.753 -6.537 1.00 1.00 C ATOM 227 C ASP A 15 9.183 -2.519 -5.290 1.00 1.00 C ATOM 228 O ASP A 15 8.262 -3.309 -5.362 1.00 1.00 O ATOM 229 CB ASP A 15 10.956 -2.310 -7.109 1.00 1.00 C ATOM 230 CG ASP A 15 10.899 -3.828 -7.350 1.00 1.00 C ATOM 231 OD1 ASP A 15 9.972 -4.260 -8.016 1.00 1.00 O ATOM 232 OD2 ASP A 15 11.806 -4.472 -6.851 1.00 1.00 O ATOM 0 H ASP A 15 10.696 0.069 -6.732 1.00 1.00 H new ATOM 0 HA ASP A 15 8.826 -1.873 -7.253 1.00 1.00 H new ATOM 0 HB2 ASP A 15 11.183 -1.805 -8.048 1.00 1.00 H new ATOM 0 HB3 ASP A 15 11.771 -2.085 -6.421 1.00 1.00 H new ATOM 237 N CYS A 16 9.843 -2.256 -4.191 1.00 1.00 N ATOM 238 CA CYS A 16 9.486 -2.942 -2.910 1.00 1.00 C ATOM 239 C CYS A 16 8.963 -1.960 -1.863 1.00 1.00 C ATOM 240 O CYS A 16 9.281 -0.788 -1.917 1.00 1.00 O ATOM 241 CB CYS A 16 10.727 -3.657 -2.361 1.00 1.00 C ATOM 242 SG CYS A 16 10.689 -5.460 -2.514 1.00 1.00 S ATOM 0 H CYS A 16 10.616 -1.594 -4.124 1.00 1.00 H new ATOM 0 HA CYS A 16 8.691 -3.658 -3.121 1.00 1.00 H new ATOM 0 HB2 CYS A 16 11.607 -3.280 -2.882 1.00 1.00 H new ATOM 0 HB3 CYS A 16 10.844 -3.397 -1.309 1.00 1.00 H new ATOM 247 N CYS A 17 8.178 -2.461 -0.936 1.00 1.00 N ATOM 248 CA CYS A 17 7.619 -1.619 0.133 1.00 1.00 C ATOM 249 C CYS A 17 8.800 -1.202 1.010 1.00 1.00 C ATOM 250 O CYS A 17 8.802 -0.146 1.611 1.00 1.00 O ATOM 251 CB CYS A 17 6.614 -2.450 0.896 1.00 1.00 C ATOM 252 SG CYS A 17 7.090 -3.999 1.701 1.00 1.00 S ATOM 0 H CYS A 17 7.905 -3.442 -0.888 1.00 1.00 H new ATOM 0 HA CYS A 17 7.109 -0.729 -0.236 1.00 1.00 H new ATOM 0 HB2 CYS A 17 6.192 -1.807 1.669 1.00 1.00 H new ATOM 0 HB3 CYS A 17 5.807 -2.687 0.203 1.00 1.00 H new ATOM 257 N SER A 18 9.771 -2.083 1.045 1.00 1.00 N ATOM 258 CA SER A 18 11.009 -1.877 1.818 1.00 1.00 C ATOM 259 C SER A 18 11.827 -0.781 1.110 1.00 1.00 C ATOM 260 O SER A 18 12.748 -0.225 1.675 1.00 1.00 O ATOM 261 CB SER A 18 11.767 -3.204 1.852 1.00 1.00 C ATOM 262 OG SER A 18 10.919 -4.098 2.561 1.00 1.00 O ATOM 0 H SER A 18 9.741 -2.970 0.543 1.00 1.00 H new ATOM 0 HA SER A 18 10.810 -1.562 2.842 1.00 1.00 H new ATOM 0 HB2 SER A 18 11.969 -3.568 0.845 1.00 1.00 H new ATOM 0 HB3 SER A 18 12.730 -3.095 2.351 1.00 1.00 H new ATOM 0 HG SER A 18 11.347 -4.978 2.619 1.00 1.00 H new ATOM 268 N LYS A 19 11.438 -0.521 -0.120 1.00 1.00 N ATOM 269 CA LYS A 19 12.083 0.499 -1.001 1.00 1.00 C ATOM 270 C LYS A 19 13.597 0.284 -1.097 1.00 1.00 C ATOM 271 O LYS A 19 14.346 1.228 -1.267 1.00 1.00 O ATOM 272 CB LYS A 19 11.764 1.903 -0.432 1.00 1.00 C ATOM 273 CG LYS A 19 10.240 2.103 -0.427 1.00 1.00 C ATOM 274 CD LYS A 19 9.701 2.251 -1.869 1.00 1.00 C ATOM 275 CE LYS A 19 8.171 2.204 -1.839 1.00 1.00 C ATOM 276 NZ LYS A 19 7.662 3.292 -0.969 1.00 1.00 N ATOM 0 H LYS A 19 10.658 -1.004 -0.566 1.00 1.00 H new ATOM 0 HA LYS A 19 11.687 0.404 -2.012 1.00 1.00 H new ATOM 0 HB2 LYS A 19 12.160 1.999 0.579 1.00 1.00 H new ATOM 0 HB3 LYS A 19 12.243 2.673 -1.037 1.00 1.00 H new ATOM 0 HG2 LYS A 19 9.759 1.255 0.061 1.00 1.00 H new ATOM 0 HG3 LYS A 19 9.987 2.990 0.154 1.00 1.00 H new ATOM 0 HD2 LYS A 19 10.040 3.192 -2.302 1.00 1.00 H new ATOM 0 HD3 LYS A 19 10.090 1.451 -2.500 1.00 1.00 H new ATOM 0 HE2 LYS A 19 7.773 2.314 -2.848 1.00 1.00 H new ATOM 0 HE3 LYS A 19 7.833 1.237 -1.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 6.657 3.462 -1.177 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 7.767 3.017 0.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 8.204 4.161 -1.147 1.00 1.00 H new ATOM 290 N LYS A 20 13.998 -0.961 -0.990 1.00 1.00 N ATOM 291 CA LYS A 20 15.449 -1.291 -1.070 1.00 1.00 C ATOM 292 C LYS A 20 15.705 -2.254 -2.224 1.00 1.00 C ATOM 293 O LYS A 20 16.094 -3.392 -2.047 1.00 1.00 O ATOM 294 CB LYS A 20 15.908 -1.906 0.300 1.00 1.00 C ATOM 295 CG LYS A 20 16.711 -0.867 1.109 1.00 1.00 C ATOM 296 CD LYS A 20 15.800 0.259 1.645 1.00 1.00 C ATOM 297 CE LYS A 20 16.666 1.373 2.245 1.00 1.00 C ATOM 298 NZ LYS A 20 17.524 0.827 3.331 1.00 1.00 N ATOM 0 H LYS A 20 13.380 -1.760 -0.851 1.00 1.00 H new ATOM 0 HA LYS A 20 16.028 -0.387 -1.261 1.00 1.00 H new ATOM 0 HB2 LYS A 20 15.038 -2.229 0.872 1.00 1.00 H new ATOM 0 HB3 LYS A 20 16.519 -2.791 0.123 1.00 1.00 H new ATOM 0 HG2 LYS A 20 17.210 -1.360 1.943 1.00 1.00 H new ATOM 0 HG3 LYS A 20 17.490 -0.437 0.480 1.00 1.00 H new ATOM 0 HD2 LYS A 20 15.183 0.657 0.839 1.00 1.00 H new ATOM 0 HD3 LYS A 20 15.121 -0.136 2.401 1.00 1.00 H new ATOM 0 HE2 LYS A 20 17.288 1.818 1.469 1.00 1.00 H new ATOM 0 HE3 LYS A 20 16.030 2.166 2.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 17.911 1.611 3.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 16.956 0.207 3.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 18.305 0.281 2.915 1.00 1.00 H new ATOM 312 N CYS A 21 15.476 -1.758 -3.410 1.00 1.00 N ATOM 313 CA CYS A 21 15.712 -2.638 -4.588 1.00 1.00 C ATOM 314 C CYS A 21 17.134 -2.223 -4.973 1.00 1.00 C ATOM 315 O CYS A 21 17.375 -1.054 -5.214 1.00 1.00 O ATOM 316 CB CYS A 21 14.694 -2.344 -5.705 1.00 1.00 C ATOM 317 SG CYS A 21 14.868 -3.365 -7.194 1.00 1.00 S ATOM 0 H CYS A 21 15.147 -0.814 -3.611 1.00 1.00 H new ATOM 0 HA CYS A 21 15.601 -3.706 -4.399 1.00 1.00 H new ATOM 0 HB2 CYS A 21 13.689 -2.481 -5.305 1.00 1.00 H new ATOM 0 HB3 CYS A 21 14.783 -1.296 -5.990 1.00 1.00 H new ATOM 322 N LYS A 22 18.033 -3.182 -5.020 1.00 1.00 N ATOM 323 CA LYS A 22 19.469 -2.830 -5.373 1.00 1.00 C ATOM 324 C LYS A 22 20.142 -3.580 -6.537 1.00 1.00 C ATOM 325 O LYS A 22 19.742 -4.668 -6.896 1.00 1.00 O ATOM 326 CB LYS A 22 20.300 -2.996 -4.067 1.00 1.00 C ATOM 327 CG LYS A 22 19.955 -1.890 -3.024 1.00 1.00 C ATOM 328 CD LYS A 22 20.868 -0.632 -3.160 1.00 1.00 C ATOM 329 CE LYS A 22 20.802 0.002 -4.561 1.00 1.00 C ATOM 330 NZ LYS A 22 21.601 1.259 -4.596 1.00 1.00 N ATOM 0 H LYS A 22 17.852 -4.169 -4.837 1.00 1.00 H new ATOM 0 HA LYS A 22 19.437 -1.812 -5.762 1.00 1.00 H new ATOM 0 HB2 LYS A 22 20.107 -3.978 -3.635 1.00 1.00 H new ATOM 0 HB3 LYS A 22 21.363 -2.955 -4.304 1.00 1.00 H new ATOM 0 HG2 LYS A 22 18.913 -1.593 -3.146 1.00 1.00 H new ATOM 0 HG3 LYS A 22 20.054 -2.300 -2.019 1.00 1.00 H new ATOM 0 HD2 LYS A 22 20.572 0.108 -2.417 1.00 1.00 H new ATOM 0 HD3 LYS A 22 21.899 -0.911 -2.940 1.00 1.00 H new ATOM 0 HE2 LYS A 22 21.182 -0.700 -5.304 1.00 1.00 H new ATOM 0 HE3 LYS A 22 19.766 0.214 -4.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 20.960 2.077 -4.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 22.185 1.323 -3.738 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 22.216 1.256 -5.435 1.00 1.00 H new ATOM 344 N ARG A 23 21.179 -2.958 -7.060 1.00 1.00 N ATOM 345 CA ARG A 23 21.956 -3.511 -8.220 1.00 1.00 C ATOM 346 C ARG A 23 23.147 -4.409 -7.825 1.00 1.00 C ATOM 347 O ARG A 23 24.281 -3.966 -7.820 1.00 1.00 O ATOM 348 CB ARG A 23 22.545 -2.360 -9.128 1.00 1.00 C ATOM 349 CG ARG A 23 21.599 -1.198 -9.395 1.00 1.00 C ATOM 350 CD ARG A 23 21.538 -0.270 -8.186 1.00 1.00 C ATOM 351 NE ARG A 23 20.801 0.929 -8.636 1.00 1.00 N ATOM 352 CZ ARG A 23 21.315 2.121 -8.506 1.00 1.00 C ATOM 353 NH1 ARG A 23 21.315 2.682 -7.328 1.00 1.00 N ATOM 354 NH2 ARG A 23 21.810 2.709 -9.560 1.00 1.00 N ATOM 0 H ARG A 23 21.528 -2.062 -6.718 1.00 1.00 H new ATOM 0 HA ARG A 23 21.221 -4.115 -8.752 1.00 1.00 H new ATOM 0 HB2 ARG A 23 23.447 -1.972 -8.655 1.00 1.00 H new ATOM 0 HB3 ARG A 23 22.845 -2.790 -10.083 1.00 1.00 H new ATOM 0 HG2 ARG A 23 21.934 -0.642 -10.271 1.00 1.00 H new ATOM 0 HG3 ARG A 23 20.602 -1.577 -9.620 1.00 1.00 H new ATOM 0 HD2 ARG A 23 21.030 -0.750 -7.350 1.00 1.00 H new ATOM 0 HD3 ARG A 23 22.539 -0.008 -7.843 1.00 1.00 H new ATOM 0 HE ARG A 23 19.877 0.823 -9.054 1.00 1.00 H new ATOM 0 HH11 ARG A 23 20.918 2.189 -6.528 1.00 1.00 H new ATOM 0 HH12 ARG A 23 21.712 3.614 -7.207 1.00 1.00 H new ATOM 0 HH21 ARG A 23 21.790 2.237 -10.464 1.00 1.00 H new ATOM 0 HH22 ARG A 23 22.217 3.641 -9.480 1.00 1.00 H new ATOM 368 N ARG A 24 22.871 -5.648 -7.499 1.00 1.00 N ATOM 369 CA ARG A 24 23.982 -6.580 -7.109 1.00 1.00 C ATOM 370 C ARG A 24 24.177 -7.564 -8.264 1.00 1.00 C ATOM 371 O ARG A 24 24.120 -8.773 -8.146 1.00 1.00 O ATOM 372 CB ARG A 24 23.603 -7.324 -5.801 1.00 1.00 C ATOM 373 CG ARG A 24 23.661 -6.363 -4.573 1.00 1.00 C ATOM 374 CD ARG A 24 22.556 -5.264 -4.611 1.00 1.00 C ATOM 375 NE ARG A 24 21.169 -5.844 -4.592 1.00 1.00 N ATOM 376 CZ ARG A 24 20.920 -7.064 -4.198 1.00 1.00 C ATOM 377 NH1 ARG A 24 21.306 -7.426 -3.006 1.00 1.00 N ATOM 378 NH2 ARG A 24 20.293 -7.874 -5.006 1.00 1.00 N ATOM 0 H ARG A 24 21.935 -6.054 -7.485 1.00 1.00 H new ATOM 0 HA ARG A 24 24.909 -6.037 -6.923 1.00 1.00 H new ATOM 0 HB2 ARG A 24 22.600 -7.741 -5.893 1.00 1.00 H new ATOM 0 HB3 ARG A 24 24.283 -8.161 -5.644 1.00 1.00 H new ATOM 0 HG2 ARG A 24 23.556 -6.945 -3.657 1.00 1.00 H new ATOM 0 HG3 ARG A 24 24.640 -5.886 -4.537 1.00 1.00 H new ATOM 0 HD2 ARG A 24 22.680 -4.598 -3.757 1.00 1.00 H new ATOM 0 HD3 ARG A 24 22.681 -4.658 -5.508 1.00 1.00 H new ATOM 0 HE ARG A 24 20.391 -5.261 -4.899 1.00 1.00 H new ATOM 0 HH11 ARG A 24 21.791 -6.761 -2.403 1.00 1.00 H new ATOM 0 HH12 ARG A 24 21.123 -8.374 -2.676 1.00 1.00 H new ATOM 0 HH21 ARG A 24 20.005 -7.551 -5.930 1.00 1.00 H new ATOM 0 HH22 ARG A 24 20.091 -8.830 -4.714 1.00 1.00 H new ATOM 392 N GLY A 25 24.407 -6.915 -9.372 1.00 1.00 N ATOM 393 CA GLY A 25 24.644 -7.530 -10.686 1.00 1.00 C ATOM 394 C GLY A 25 25.546 -6.591 -11.485 1.00 1.00 C ATOM 395 O GLY A 25 26.090 -5.643 -10.950 1.00 1.00 O ATOM 0 H GLY A 25 24.440 -5.896 -9.405 1.00 1.00 H new ATOM 0 HA2 GLY A 25 25.115 -8.506 -10.571 1.00 1.00 H new ATOM 0 HA3 GLY A 25 23.701 -7.690 -11.209 1.00 1.00 H new ATOM 399 N THR A 26 25.675 -6.887 -12.750 1.00 1.00 N ATOM 400 CA THR A 26 26.520 -6.050 -13.640 1.00 1.00 C ATOM 401 C THR A 26 25.622 -4.923 -14.168 1.00 1.00 C ATOM 402 O THR A 26 25.957 -3.759 -14.059 1.00 1.00 O ATOM 403 CB THR A 26 27.089 -6.963 -14.780 1.00 1.00 C ATOM 404 OG1 THR A 26 27.828 -6.073 -15.608 1.00 1.00 O ATOM 405 CG2 THR A 26 26.023 -7.599 -15.706 1.00 1.00 C ATOM 0 H THR A 26 25.226 -7.681 -13.206 1.00 1.00 H new ATOM 0 HA THR A 26 27.374 -5.605 -13.130 1.00 1.00 H new ATOM 0 HB THR A 26 27.636 -7.783 -14.315 1.00 1.00 H new ATOM 0 HG1 THR A 26 28.223 -6.572 -16.354 1.00 1.00 H new ATOM 0 HG21 THR A 26 26.516 -8.212 -16.461 1.00 1.00 H new ATOM 0 HG22 THR A 26 25.352 -8.222 -15.114 1.00 1.00 H new ATOM 0 HG23 THR A 26 25.450 -6.812 -16.195 1.00 1.00 H new ATOM 413 N ASN A 27 24.507 -5.316 -14.725 1.00 1.00 N ATOM 414 CA ASN A 27 23.516 -4.344 -15.283 1.00 1.00 C ATOM 415 C ASN A 27 22.854 -3.631 -14.078 1.00 1.00 C ATOM 416 O ASN A 27 23.031 -4.049 -12.949 1.00 1.00 O ATOM 417 CB ASN A 27 22.486 -5.151 -16.109 1.00 1.00 C ATOM 418 CG ASN A 27 21.652 -4.256 -17.040 1.00 1.00 C ATOM 419 OD1 ASN A 27 20.979 -3.332 -16.630 1.00 1.00 O ATOM 420 ND2 ASN A 27 21.670 -4.504 -18.321 1.00 1.00 N ATOM 0 H ASN A 27 24.234 -6.294 -14.819 1.00 1.00 H new ATOM 0 HA ASN A 27 23.969 -3.596 -15.933 1.00 1.00 H new ATOM 0 HB2 ASN A 27 23.008 -5.902 -16.703 1.00 1.00 H new ATOM 0 HB3 ASN A 27 21.821 -5.686 -15.432 1.00 1.00 H new ATOM 0 HD21 ASN A 27 21.124 -3.926 -18.960 1.00 1.00 H new ATOM 0 HD22 ASN A 27 22.230 -5.276 -18.683 1.00 1.00 H new ATOM 427 N ILE A 28 22.112 -2.583 -14.335 1.00 1.00 N ATOM 428 CA ILE A 28 21.430 -1.842 -13.223 1.00 1.00 C ATOM 429 C ILE A 28 20.309 -2.732 -12.673 1.00 1.00 C ATOM 430 O ILE A 28 19.876 -2.531 -11.557 1.00 1.00 O ATOM 431 CB ILE A 28 20.848 -0.528 -13.758 1.00 1.00 C ATOM 432 CG1 ILE A 28 22.014 0.311 -14.336 1.00 1.00 C ATOM 433 CG2 ILE A 28 20.165 0.246 -12.585 1.00 1.00 C ATOM 434 CD1 ILE A 28 21.478 1.579 -15.029 1.00 1.00 C ATOM 0 H ILE A 28 21.947 -2.206 -15.268 1.00 1.00 H new ATOM 0 HA ILE A 28 22.141 -1.606 -12.431 1.00 1.00 H new ATOM 0 HB ILE A 28 20.106 -0.720 -14.533 1.00 1.00 H new ATOM 0 HG12 ILE A 28 22.700 0.590 -13.536 1.00 1.00 H new ATOM 0 HG13 ILE A 28 22.581 -0.287 -15.049 1.00 1.00 H new ATOM 0 HG21 ILE A 28 19.749 1.181 -12.960 1.00 1.00 H new ATOM 0 HG22 ILE A 28 19.366 -0.363 -12.164 1.00 1.00 H new ATOM 0 HG23 ILE A 28 20.903 0.461 -11.812 1.00 1.00 H new ATOM 0 HD11 ILE A 28 22.312 2.155 -15.429 1.00 1.00 H new ATOM 0 HD12 ILE A 28 20.811 1.295 -15.843 1.00 1.00 H new ATOM 0 HD13 ILE A 28 20.931 2.185 -14.306 1.00 1.00 H new ATOM 446 N GLU A 29 19.888 -3.676 -13.488 1.00 1.00 N ATOM 447 CA GLU A 29 18.807 -4.655 -13.138 1.00 1.00 C ATOM 448 C GLU A 29 19.006 -5.034 -11.668 1.00 1.00 C ATOM 449 O GLU A 29 19.848 -5.842 -11.324 1.00 1.00 O ATOM 450 CB GLU A 29 18.954 -5.873 -14.068 1.00 1.00 C ATOM 451 CG GLU A 29 18.675 -5.422 -15.530 1.00 1.00 C ATOM 452 CD GLU A 29 19.137 -6.454 -16.588 1.00 1.00 C ATOM 453 OE1 GLU A 29 19.586 -7.529 -16.218 1.00 1.00 O ATOM 454 OE2 GLU A 29 19.009 -6.091 -17.746 1.00 1.00 O ATOM 0 H GLU A 29 20.270 -3.811 -14.424 1.00 1.00 H new ATOM 0 HA GLU A 29 17.805 -4.246 -13.268 1.00 1.00 H new ATOM 0 HB2 GLU A 29 19.957 -6.291 -13.987 1.00 1.00 H new ATOM 0 HB3 GLU A 29 18.257 -6.658 -13.775 1.00 1.00 H new ATOM 0 HG2 GLU A 29 17.607 -5.243 -15.650 1.00 1.00 H new ATOM 0 HG3 GLU A 29 19.180 -4.474 -15.713 1.00 1.00 H new ATOM 461 N LYS A 30 18.196 -4.407 -10.858 1.00 1.00 N ATOM 462 CA LYS A 30 18.247 -4.624 -9.383 1.00 1.00 C ATOM 463 C LYS A 30 17.158 -5.541 -8.848 1.00 1.00 C ATOM 464 O LYS A 30 16.147 -5.712 -9.492 1.00 1.00 O ATOM 465 CB LYS A 30 18.155 -3.230 -8.716 1.00 1.00 C ATOM 466 CG LYS A 30 17.020 -2.399 -9.333 1.00 1.00 C ATOM 467 CD LYS A 30 16.747 -1.122 -8.503 1.00 1.00 C ATOM 468 CE LYS A 30 17.942 -0.172 -8.542 1.00 1.00 C ATOM 469 NZ LYS A 30 18.253 0.206 -9.951 1.00 1.00 N ATOM 0 H LYS A 30 17.487 -3.740 -11.163 1.00 1.00 H new ATOM 0 HA LYS A 30 19.180 -5.135 -9.145 1.00 1.00 H new ATOM 0 HB2 LYS A 30 17.986 -3.346 -7.645 1.00 1.00 H new ATOM 0 HB3 LYS A 30 19.102 -2.703 -8.834 1.00 1.00 H new ATOM 0 HG2 LYS A 30 17.282 -2.123 -10.355 1.00 1.00 H new ATOM 0 HG3 LYS A 30 16.113 -3.001 -9.388 1.00 1.00 H new ATOM 0 HD2 LYS A 30 15.863 -0.615 -8.891 1.00 1.00 H new ATOM 0 HD3 LYS A 30 16.530 -1.396 -7.470 1.00 1.00 H new ATOM 0 HE2 LYS A 30 17.725 0.722 -7.957 1.00 1.00 H new ATOM 0 HE3 LYS A 30 18.810 -0.648 -8.085 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 18.844 1.062 -9.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 18.765 -0.572 -10.414 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 17.368 0.392 -10.464 1.00 1.00 H new ATOM 483 N ARG A 31 17.392 -6.096 -7.681 1.00 1.00 N ATOM 484 CA ARG A 31 16.399 -7.007 -7.065 1.00 1.00 C ATOM 485 C ARG A 31 15.682 -6.273 -5.946 1.00 1.00 C ATOM 486 O ARG A 31 16.220 -5.321 -5.415 1.00 1.00 O ATOM 487 CB ARG A 31 17.094 -8.258 -6.495 1.00 1.00 C ATOM 488 CG ARG A 31 17.754 -9.120 -7.602 1.00 1.00 C ATOM 489 CD ARG A 31 16.803 -9.293 -8.811 1.00 1.00 C ATOM 490 NE ARG A 31 17.074 -10.597 -9.479 1.00 1.00 N ATOM 491 CZ ARG A 31 16.107 -11.471 -9.565 1.00 1.00 C ATOM 492 NH1 ARG A 31 15.238 -11.356 -10.532 1.00 1.00 N ATOM 493 NH2 ARG A 31 16.039 -12.427 -8.680 1.00 1.00 N ATOM 0 H ARG A 31 18.239 -5.949 -7.132 1.00 1.00 H new ATOM 0 HA ARG A 31 15.685 -7.322 -7.826 1.00 1.00 H new ATOM 0 HB2 ARG A 31 17.853 -7.953 -5.774 1.00 1.00 H new ATOM 0 HB3 ARG A 31 16.365 -8.861 -5.954 1.00 1.00 H new ATOM 0 HG2 ARG A 31 18.682 -8.650 -7.929 1.00 1.00 H new ATOM 0 HG3 ARG A 31 18.017 -10.098 -7.198 1.00 1.00 H new ATOM 0 HD2 ARG A 31 15.766 -9.252 -8.479 1.00 1.00 H new ATOM 0 HD3 ARG A 31 16.944 -8.475 -9.517 1.00 1.00 H new ATOM 0 HE ARG A 31 17.997 -10.803 -9.862 1.00 1.00 H new ATOM 0 HH11 ARG A 31 15.321 -10.593 -11.204 1.00 1.00 H new ATOM 0 HH12 ARG A 31 14.476 -12.029 -10.616 1.00 1.00 H new ATOM 0 HH21 ARG A 31 16.734 -12.483 -7.936 1.00 1.00 H new ATOM 0 HH22 ARG A 31 15.290 -13.118 -8.732 1.00 1.00 H new ATOM 507 N CYS A 32 14.512 -6.786 -5.641 1.00 1.00 N ATOM 508 CA CYS A 32 13.603 -6.226 -4.583 1.00 1.00 C ATOM 509 C CYS A 32 13.920 -6.576 -3.113 1.00 1.00 C ATOM 510 O CYS A 32 13.485 -7.603 -2.626 1.00 1.00 O ATOM 511 CB CYS A 32 12.160 -6.707 -4.921 1.00 1.00 C ATOM 512 SG CYS A 32 10.696 -5.723 -4.515 1.00 1.00 S ATOM 0 H CYS A 32 14.132 -7.611 -6.106 1.00 1.00 H new ATOM 0 HA CYS A 32 13.741 -5.145 -4.620 1.00 1.00 H new ATOM 0 HB2 CYS A 32 12.132 -6.882 -5.997 1.00 1.00 H new ATOM 0 HB3 CYS A 32 12.031 -7.675 -4.437 1.00 1.00 H new ATOM 517 N ARG A 33 14.668 -5.735 -2.439 1.00 1.00 N ATOM 518 CA ARG A 33 15.008 -6.002 -1.010 1.00 1.00 C ATOM 519 C ARG A 33 14.512 -4.839 -0.108 1.00 1.00 C ATOM 520 O ARG A 33 13.850 -3.949 -0.630 1.00 1.00 O ATOM 521 CB ARG A 33 16.535 -6.187 -0.959 1.00 1.00 C ATOM 522 CG ARG A 33 16.903 -7.382 -1.869 1.00 1.00 C ATOM 523 CD ARG A 33 18.412 -7.525 -1.921 1.00 1.00 C ATOM 524 NE ARG A 33 18.723 -8.748 -2.722 1.00 1.00 N ATOM 525 CZ ARG A 33 19.353 -9.760 -2.184 1.00 1.00 C ATOM 526 NH1 ARG A 33 18.954 -10.223 -1.030 1.00 1.00 N ATOM 527 NH2 ARG A 33 20.364 -10.279 -2.824 1.00 1.00 N ATOM 528 OXT ARG A 33 14.818 -4.903 1.072 1.00 1.00 O ATOM 0 H ARG A 33 15.058 -4.873 -2.821 1.00 1.00 H new ATOM 0 HA ARG A 33 14.515 -6.897 -0.630 1.00 1.00 H new ATOM 0 HB2 ARG A 33 17.040 -5.282 -1.296 1.00 1.00 H new ATOM 0 HB3 ARG A 33 16.862 -6.372 0.064 1.00 1.00 H new ATOM 0 HG2 ARG A 33 16.452 -8.298 -1.487 1.00 1.00 H new ATOM 0 HG3 ARG A 33 16.506 -7.226 -2.872 1.00 1.00 H new ATOM 0 HD2 ARG A 33 18.865 -6.644 -2.376 1.00 1.00 H new ATOM 0 HD3 ARG A 33 18.823 -7.611 -0.915 1.00 1.00 H new ATOM 0 HE ARG A 33 18.440 -8.794 -3.701 1.00 1.00 H new ATOM 0 HH11 ARG A 33 18.158 -9.796 -0.557 1.00 1.00 H new ATOM 0 HH12 ARG A 33 19.439 -11.012 -0.602 1.00 1.00 H new ATOM 0 HH21 ARG A 33 20.649 -9.895 -3.725 1.00 1.00 H new ATOM 0 HH22 ARG A 33 20.870 -11.069 -2.423 1.00 1.00 H new