USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 277 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 1 GLY N :NH3+ -118:sc= 0.0877 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -3.02! C(o=-3!,f=-5.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= -0.0233 (180deg=-0.185) USER MOD Single : A 13 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.7!) USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= -1.33 (180deg=-4.26!) USER MOD Single : A 18 SER OG : rot -22:sc= 0.485 USER MOD Single : A 19 LYS NZ :NH3+ -101:sc= -2.5! (180deg=-5.49!) USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= -4.38 (180deg=-8.69!) USER MOD Single : A 22 LYS NZ :NH3+ -149:sc= -2.85 (180deg=-5.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -4.3 K(o=-4.3,f=-0.99) USER MOD Single : A 30 LYS NZ :NH3+ 133:sc= -1.2 (180deg=-3.83!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.770 0.020 0.654 1.00 1.00 N ATOM 2 CA GLY A 1 5.162 0.132 -0.703 1.00 1.00 C ATOM 3 C GLY A 1 5.067 -1.239 -1.384 1.00 1.00 C ATOM 4 O GLY A 1 5.462 -2.245 -0.827 1.00 1.00 O ATOM 0 H1 GLY A 1 5.083 0.333 1.369 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.033 -0.970 0.836 1.00 1.00 H new ATOM 0 H3 GLY A 1 6.619 0.619 0.705 1.00 1.00 H new ATOM 0 HA2 GLY A 1 4.167 0.571 -0.623 1.00 1.00 H new ATOM 0 HA3 GLY A 1 5.760 0.805 -1.317 1.00 1.00 H new ATOM 10 N ASP A 2 4.539 -1.221 -2.582 1.00 1.00 N ATOM 11 CA ASP A 2 4.367 -2.450 -3.392 1.00 1.00 C ATOM 12 C ASP A 2 5.146 -2.338 -4.708 1.00 1.00 C ATOM 13 O ASP A 2 4.582 -2.293 -5.783 1.00 1.00 O ATOM 14 CB ASP A 2 2.886 -2.654 -3.662 1.00 1.00 C ATOM 15 CG ASP A 2 2.096 -2.880 -2.358 1.00 1.00 C ATOM 16 OD1 ASP A 2 2.009 -1.937 -1.588 1.00 1.00 O ATOM 17 OD2 ASP A 2 1.620 -3.993 -2.206 1.00 1.00 O ATOM 0 H ASP A 2 4.211 -0.371 -3.041 1.00 1.00 H new ATOM 0 HA ASP A 2 4.759 -3.308 -2.845 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.488 -1.783 -4.183 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.751 -3.510 -4.323 1.00 1.00 H new ATOM 22 N CYS A 3 6.447 -2.304 -4.585 1.00 1.00 N ATOM 23 CA CYS A 3 7.316 -2.194 -5.793 1.00 1.00 C ATOM 24 C CYS A 3 7.626 -3.613 -6.277 1.00 1.00 C ATOM 25 O CYS A 3 8.761 -4.045 -6.357 1.00 1.00 O ATOM 26 CB CYS A 3 8.573 -1.435 -5.378 1.00 1.00 C ATOM 27 SG CYS A 3 8.361 0.238 -4.717 1.00 1.00 S ATOM 0 H CYS A 3 6.946 -2.348 -3.697 1.00 1.00 H new ATOM 0 HA CYS A 3 6.841 -1.655 -6.613 1.00 1.00 H new ATOM 0 HB2 CYS A 3 9.092 -2.030 -4.627 1.00 1.00 H new ATOM 0 HB3 CYS A 3 9.230 -1.373 -6.245 1.00 1.00 H new ATOM 32 N LEU A 4 6.541 -4.282 -6.583 1.00 1.00 N ATOM 33 CA LEU A 4 6.577 -5.693 -7.080 1.00 1.00 C ATOM 34 C LEU A 4 7.601 -5.888 -8.224 1.00 1.00 C ATOM 35 O LEU A 4 7.837 -4.966 -8.982 1.00 1.00 O ATOM 36 CB LEU A 4 5.159 -6.068 -7.570 1.00 1.00 C ATOM 37 CG LEU A 4 4.101 -5.889 -6.436 1.00 1.00 C ATOM 38 CD1 LEU A 4 2.700 -6.158 -7.011 1.00 1.00 C ATOM 39 CD2 LEU A 4 4.357 -6.889 -5.283 1.00 1.00 C ATOM 0 H LEU A 4 5.601 -3.894 -6.506 1.00 1.00 H new ATOM 0 HA LEU A 4 6.892 -6.342 -6.263 1.00 1.00 H new ATOM 0 HB2 LEU A 4 4.890 -5.445 -8.423 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.153 -7.102 -7.916 1.00 1.00 H new ATOM 0 HG LEU A 4 4.175 -4.872 -6.050 1.00 1.00 H new ATOM 0 HD11 LEU A 4 1.955 -6.035 -6.225 1.00 1.00 H new ATOM 0 HD12 LEU A 4 2.496 -5.454 -7.818 1.00 1.00 H new ATOM 0 HD13 LEU A 4 2.655 -7.176 -7.398 1.00 1.00 H new ATOM 0 HD21 LEU A 4 3.608 -6.746 -4.504 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.294 -7.908 -5.664 1.00 1.00 H new ATOM 0 HD23 LEU A 4 5.350 -6.718 -4.867 1.00 1.00 H new ATOM 51 N PRO A 5 8.179 -7.068 -8.327 1.00 1.00 N ATOM 52 CA PRO A 5 9.187 -7.393 -9.381 1.00 1.00 C ATOM 53 C PRO A 5 8.603 -7.333 -10.803 1.00 1.00 C ATOM 54 O PRO A 5 8.631 -6.313 -11.464 1.00 1.00 O ATOM 55 CB PRO A 5 9.683 -8.792 -8.985 1.00 1.00 C ATOM 56 CG PRO A 5 8.453 -9.411 -8.263 1.00 1.00 C ATOM 57 CD PRO A 5 7.923 -8.236 -7.432 1.00 1.00 C ATOM 0 HA PRO A 5 9.999 -6.667 -9.424 1.00 1.00 H new ATOM 0 HB2 PRO A 5 9.976 -9.378 -9.857 1.00 1.00 H new ATOM 0 HB3 PRO A 5 10.552 -8.741 -8.329 1.00 1.00 H new ATOM 0 HG2 PRO A 5 7.708 -9.774 -8.971 1.00 1.00 H new ATOM 0 HG3 PRO A 5 8.735 -10.256 -7.635 1.00 1.00 H new ATOM 0 HD2 PRO A 5 6.863 -8.347 -7.202 1.00 1.00 H new ATOM 0 HD3 PRO A 5 8.448 -8.142 -6.481 1.00 1.00 H new ATOM 65 N HIS A 6 8.090 -8.465 -11.200 1.00 1.00 N ATOM 66 CA HIS A 6 7.463 -8.650 -12.543 1.00 1.00 C ATOM 67 C HIS A 6 6.124 -7.895 -12.645 1.00 1.00 C ATOM 68 O HIS A 6 5.666 -7.301 -11.690 1.00 1.00 O ATOM 69 CB HIS A 6 7.297 -10.189 -12.734 1.00 1.00 C ATOM 70 CG HIS A 6 6.595 -10.562 -14.050 1.00 1.00 C ATOM 71 ND1 HIS A 6 5.318 -10.512 -14.253 1.00 1.00 N ATOM 72 CD2 HIS A 6 7.111 -11.005 -15.255 1.00 1.00 C ATOM 73 CE1 HIS A 6 5.051 -10.885 -15.462 1.00 1.00 C ATOM 74 NE2 HIS A 6 6.137 -11.201 -16.122 1.00 1.00 N ATOM 0 H HIS A 6 8.079 -9.306 -10.623 1.00 1.00 H new ATOM 0 HA HIS A 6 8.084 -8.234 -13.336 1.00 1.00 H new ATOM 0 HB2 HIS A 6 8.279 -10.660 -12.707 1.00 1.00 H new ATOM 0 HB3 HIS A 6 6.727 -10.593 -11.898 1.00 1.00 H new ATOM 0 HD2 HIS A 6 8.160 -11.167 -15.456 1.00 1.00 H new ATOM 0 HE1 HIS A 6 4.055 -10.930 -15.877 1.00 1.00 H new ATOM 0 HE2 HIS A 6 6.212 -11.525 -17.086 1.00 1.00 H new ATOM 82 N LEU A 7 5.570 -7.952 -13.829 1.00 1.00 N ATOM 83 CA LEU A 7 4.269 -7.313 -14.191 1.00 1.00 C ATOM 84 C LEU A 7 3.152 -8.114 -13.475 1.00 1.00 C ATOM 85 O LEU A 7 2.388 -8.820 -14.107 1.00 1.00 O ATOM 86 CB LEU A 7 4.106 -7.375 -15.743 1.00 1.00 C ATOM 87 CG LEU A 7 5.427 -7.047 -16.508 1.00 1.00 C ATOM 88 CD1 LEU A 7 5.165 -7.181 -18.023 1.00 1.00 C ATOM 89 CD2 LEU A 7 5.911 -5.615 -16.214 1.00 1.00 C ATOM 0 H LEU A 7 5.999 -8.450 -14.609 1.00 1.00 H new ATOM 0 HA LEU A 7 4.220 -6.268 -13.884 1.00 1.00 H new ATOM 0 HB2 LEU A 7 3.765 -8.370 -16.028 1.00 1.00 H new ATOM 0 HB3 LEU A 7 3.331 -6.673 -16.050 1.00 1.00 H new ATOM 0 HG LEU A 7 6.198 -7.743 -16.177 1.00 1.00 H new ATOM 0 HD11 LEU A 7 6.079 -6.955 -18.572 1.00 1.00 H new ATOM 0 HD12 LEU A 7 4.849 -8.199 -18.249 1.00 1.00 H new ATOM 0 HD13 LEU A 7 4.382 -6.484 -18.320 1.00 1.00 H new ATOM 0 HD21 LEU A 7 6.832 -5.422 -16.763 1.00 1.00 H new ATOM 0 HD22 LEU A 7 5.147 -4.902 -16.525 1.00 1.00 H new ATOM 0 HD23 LEU A 7 6.096 -5.506 -15.145 1.00 1.00 H new ATOM 101 N LYS A 8 3.086 -7.982 -12.172 1.00 1.00 N ATOM 102 CA LYS A 8 2.051 -8.713 -11.374 1.00 1.00 C ATOM 103 C LYS A 8 0.642 -8.222 -11.704 1.00 1.00 C ATOM 104 O LYS A 8 0.449 -7.098 -12.125 1.00 1.00 O ATOM 105 CB LYS A 8 2.328 -8.502 -9.870 1.00 1.00 C ATOM 106 CG LYS A 8 3.722 -9.031 -9.444 1.00 1.00 C ATOM 107 CD LYS A 8 3.841 -10.528 -9.726 1.00 1.00 C ATOM 108 CE LYS A 8 2.765 -11.276 -8.930 1.00 1.00 C ATOM 109 NZ LYS A 8 2.707 -12.666 -9.413 1.00 1.00 N ATOM 0 H LYS A 8 3.711 -7.393 -11.622 1.00 1.00 H new ATOM 0 HA LYS A 8 2.109 -9.772 -11.626 1.00 1.00 H new ATOM 0 HB2 LYS A 8 2.259 -7.440 -9.637 1.00 1.00 H new ATOM 0 HB3 LYS A 8 1.558 -9.007 -9.287 1.00 1.00 H new ATOM 0 HG2 LYS A 8 4.501 -8.491 -9.982 1.00 1.00 H new ATOM 0 HG3 LYS A 8 3.879 -8.842 -8.382 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.722 -10.720 -10.792 1.00 1.00 H new ATOM 0 HD3 LYS A 8 4.832 -10.886 -9.447 1.00 1.00 H new ATOM 0 HE2 LYS A 8 2.998 -11.255 -7.865 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.797 -10.791 -9.054 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 1.981 -13.188 -8.882 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.468 -12.672 -10.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.632 -13.121 -9.273 1.00 1.00 H new ATOM 123 N LEU A 9 -0.301 -9.104 -11.488 1.00 1.00 N ATOM 124 CA LEU A 9 -1.713 -8.813 -11.751 1.00 1.00 C ATOM 125 C LEU A 9 -2.363 -7.813 -10.783 1.00 1.00 C ATOM 126 O LEU A 9 -1.888 -7.620 -9.679 1.00 1.00 O ATOM 127 CB LEU A 9 -2.448 -10.153 -11.721 1.00 1.00 C ATOM 128 CG LEU A 9 -2.391 -10.880 -10.330 1.00 1.00 C ATOM 129 CD1 LEU A 9 -3.707 -11.669 -10.142 1.00 1.00 C ATOM 130 CD2 LEU A 9 -1.239 -11.922 -10.278 1.00 1.00 C ATOM 0 H LEU A 9 -0.127 -10.042 -11.127 1.00 1.00 H new ATOM 0 HA LEU A 9 -1.783 -8.318 -12.719 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -3.491 -9.990 -11.992 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -2.020 -10.808 -12.480 1.00 1.00 H new ATOM 0 HG LEU A 9 -2.237 -10.124 -9.560 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -3.689 -12.183 -9.181 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -4.551 -10.980 -10.170 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -3.810 -12.401 -10.943 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -1.230 -12.406 -9.301 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -1.392 -12.673 -11.053 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -0.286 -11.419 -10.443 1.00 1.00 H new ATOM 142 N CYS A 10 -3.435 -7.211 -11.242 1.00 1.00 N ATOM 143 CA CYS A 10 -4.177 -6.221 -10.414 1.00 1.00 C ATOM 144 C CYS A 10 -5.526 -5.817 -11.044 1.00 1.00 C ATOM 145 O CYS A 10 -5.905 -6.268 -12.111 1.00 1.00 O ATOM 146 CB CYS A 10 -3.363 -4.920 -10.218 1.00 1.00 C ATOM 147 SG CYS A 10 -3.611 -3.629 -11.459 1.00 1.00 S ATOM 0 H CYS A 10 -3.829 -7.370 -12.169 1.00 1.00 H new ATOM 0 HA CYS A 10 -4.348 -6.720 -9.460 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -3.608 -4.507 -9.240 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -2.304 -5.178 -10.199 1.00 1.00 H new ATOM 152 N LYS A 11 -6.182 -4.954 -10.306 1.00 1.00 N ATOM 153 CA LYS A 11 -7.513 -4.379 -10.667 1.00 1.00 C ATOM 154 C LYS A 11 -7.283 -2.851 -10.708 1.00 1.00 C ATOM 155 O LYS A 11 -7.777 -2.174 -11.590 1.00 1.00 O ATOM 156 CB LYS A 11 -8.525 -4.771 -9.600 1.00 1.00 C ATOM 157 CG LYS A 11 -9.989 -4.757 -10.135 1.00 1.00 C ATOM 158 CD LYS A 11 -10.471 -3.363 -10.623 1.00 1.00 C ATOM 159 CE LYS A 11 -10.322 -2.295 -9.523 1.00 1.00 C ATOM 160 NZ LYS A 11 -11.041 -2.720 -8.293 1.00 1.00 N ATOM 0 H LYS A 11 -5.823 -4.607 -9.416 1.00 1.00 H new ATOM 0 HA LYS A 11 -7.902 -4.739 -11.619 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -8.287 -5.767 -9.226 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -8.443 -4.086 -8.756 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -10.071 -5.467 -10.958 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -10.656 -5.105 -9.347 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -9.897 -3.065 -11.500 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -11.515 -3.426 -10.931 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -9.267 -2.137 -9.300 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -10.719 -1.343 -9.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -11.108 -1.917 -7.635 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -11.997 -3.043 -8.544 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -10.521 -3.498 -7.838 1.00 1.00 H new ATOM 174 N GLU A 12 -6.535 -2.358 -9.746 1.00 1.00 N ATOM 175 CA GLU A 12 -6.228 -0.892 -9.668 1.00 1.00 C ATOM 176 C GLU A 12 -4.702 -0.658 -9.739 1.00 1.00 C ATOM 177 O GLU A 12 -3.912 -1.529 -9.428 1.00 1.00 O ATOM 178 CB GLU A 12 -6.797 -0.349 -8.342 1.00 1.00 C ATOM 179 CG GLU A 12 -6.638 1.191 -8.280 1.00 1.00 C ATOM 180 CD GLU A 12 -7.244 1.728 -6.973 1.00 1.00 C ATOM 181 OE1 GLU A 12 -8.447 1.586 -6.821 1.00 1.00 O ATOM 182 OE2 GLU A 12 -6.465 2.253 -6.196 1.00 1.00 O ATOM 0 H GLU A 12 -6.119 -2.918 -9.002 1.00 1.00 H new ATOM 0 HA GLU A 12 -6.684 -0.369 -10.509 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -7.850 -0.617 -8.253 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -6.279 -0.809 -7.500 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -5.583 1.459 -8.339 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -7.132 1.651 -9.136 1.00 1.00 H new ATOM 189 N ASN A 13 -4.357 0.536 -10.148 1.00 1.00 N ATOM 190 CA ASN A 13 -2.930 0.971 -10.290 1.00 1.00 C ATOM 191 C ASN A 13 -2.094 0.858 -9.001 1.00 1.00 C ATOM 192 O ASN A 13 -0.984 0.358 -9.036 1.00 1.00 O ATOM 193 CB ASN A 13 -2.941 2.429 -10.804 1.00 1.00 C ATOM 194 CG ASN A 13 -3.745 3.346 -9.867 1.00 1.00 C ATOM 195 OD1 ASN A 13 -3.286 3.755 -8.819 1.00 1.00 O ATOM 196 ND2 ASN A 13 -4.955 3.689 -10.212 1.00 1.00 N ATOM 0 H ASN A 13 -5.033 1.257 -10.400 1.00 1.00 H new ATOM 0 HA ASN A 13 -2.443 0.293 -10.991 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -1.918 2.796 -10.885 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -3.372 2.461 -11.805 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -5.506 4.295 -9.604 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -5.350 3.351 -11.090 1.00 1.00 H new ATOM 203 N LYS A 14 -2.668 1.324 -7.915 1.00 1.00 N ATOM 204 CA LYS A 14 -2.008 1.306 -6.565 1.00 1.00 C ATOM 205 C LYS A 14 -1.207 0.019 -6.325 1.00 1.00 C ATOM 206 O LYS A 14 -0.199 0.040 -5.643 1.00 1.00 O ATOM 207 CB LYS A 14 -3.112 1.473 -5.488 1.00 1.00 C ATOM 208 CG LYS A 14 -2.475 1.477 -4.066 1.00 1.00 C ATOM 209 CD LYS A 14 -3.520 1.661 -2.930 1.00 1.00 C ATOM 210 CE LYS A 14 -4.088 3.099 -2.880 1.00 1.00 C ATOM 211 NZ LYS A 14 -5.018 3.350 -4.013 1.00 1.00 N ATOM 0 H LYS A 14 -3.603 1.732 -7.909 1.00 1.00 H new ATOM 0 HA LYS A 14 -1.291 2.125 -6.511 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.656 2.403 -5.654 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -3.836 0.662 -5.569 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -1.940 0.540 -3.911 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -1.738 2.278 -4.007 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -4.338 0.955 -3.074 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -3.058 1.422 -1.972 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -4.611 3.254 -1.936 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -3.269 3.818 -2.912 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -5.839 3.891 -3.675 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -4.527 3.892 -4.752 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -5.339 2.442 -4.406 1.00 1.00 H new ATOM 225 N ASP A 15 -1.702 -1.047 -6.903 1.00 1.00 N ATOM 226 CA ASP A 15 -1.068 -2.397 -6.795 1.00 1.00 C ATOM 227 C ASP A 15 0.460 -2.322 -6.859 1.00 1.00 C ATOM 228 O ASP A 15 1.140 -2.999 -6.114 1.00 1.00 O ATOM 229 CB ASP A 15 -1.636 -3.263 -7.935 1.00 1.00 C ATOM 230 CG ASP A 15 -1.105 -4.711 -7.871 1.00 1.00 C ATOM 231 OD1 ASP A 15 0.050 -4.893 -8.218 1.00 1.00 O ATOM 232 OD2 ASP A 15 -1.886 -5.562 -7.476 1.00 1.00 O ATOM 0 H ASP A 15 -2.552 -1.035 -7.467 1.00 1.00 H new ATOM 0 HA ASP A 15 -1.301 -2.839 -5.826 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -2.724 -3.272 -7.878 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -1.371 -2.820 -8.895 1.00 1.00 H new ATOM 237 N CYS A 16 0.938 -1.499 -7.756 1.00 1.00 N ATOM 238 CA CYS A 16 2.396 -1.312 -7.937 1.00 1.00 C ATOM 239 C CYS A 16 2.854 0.105 -7.608 1.00 1.00 C ATOM 240 O CYS A 16 2.075 1.033 -7.676 1.00 1.00 O ATOM 241 CB CYS A 16 2.720 -1.641 -9.375 1.00 1.00 C ATOM 242 SG CYS A 16 3.193 -3.372 -9.618 1.00 1.00 S ATOM 0 H CYS A 16 0.359 -0.939 -8.382 1.00 1.00 H new ATOM 0 HA CYS A 16 2.924 -1.970 -7.247 1.00 1.00 H new ATOM 0 HB2 CYS A 16 1.853 -1.417 -9.997 1.00 1.00 H new ATOM 0 HB3 CYS A 16 3.532 -0.998 -9.715 1.00 1.00 H new ATOM 247 N CYS A 17 4.115 0.227 -7.267 1.00 1.00 N ATOM 248 CA CYS A 17 4.710 1.535 -6.927 1.00 1.00 C ATOM 249 C CYS A 17 4.687 2.379 -8.203 1.00 1.00 C ATOM 250 O CYS A 17 4.479 3.576 -8.170 1.00 1.00 O ATOM 251 CB CYS A 17 6.124 1.286 -6.451 1.00 1.00 C ATOM 252 SG CYS A 17 6.373 0.592 -4.799 1.00 1.00 S ATOM 0 H CYS A 17 4.766 -0.556 -7.212 1.00 1.00 H new ATOM 0 HA CYS A 17 4.167 2.059 -6.140 1.00 1.00 H new ATOM 0 HB2 CYS A 17 6.601 0.616 -7.167 1.00 1.00 H new ATOM 0 HB3 CYS A 17 6.660 2.234 -6.496 1.00 1.00 H new ATOM 257 N SER A 18 4.910 1.688 -9.295 1.00 1.00 N ATOM 258 CA SER A 18 4.925 2.315 -10.633 1.00 1.00 C ATOM 259 C SER A 18 3.490 2.720 -11.018 1.00 1.00 C ATOM 260 O SER A 18 3.293 3.384 -12.017 1.00 1.00 O ATOM 261 CB SER A 18 5.495 1.299 -11.638 1.00 1.00 C ATOM 262 OG SER A 18 5.544 2.004 -12.870 1.00 1.00 O ATOM 0 H SER A 18 5.087 0.683 -9.303 1.00 1.00 H new ATOM 0 HA SER A 18 5.547 3.210 -10.635 1.00 1.00 H new ATOM 0 HB2 SER A 18 6.485 0.957 -11.337 1.00 1.00 H new ATOM 0 HB3 SER A 18 4.861 0.415 -11.712 1.00 1.00 H new ATOM 0 HG SER A 18 4.911 2.752 -12.844 1.00 1.00 H new ATOM 268 N LYS A 19 2.551 2.305 -10.193 1.00 1.00 N ATOM 269 CA LYS A 19 1.096 2.579 -10.381 1.00 1.00 C ATOM 270 C LYS A 19 0.649 2.708 -11.843 1.00 1.00 C ATOM 271 O LYS A 19 -0.124 3.584 -12.186 1.00 1.00 O ATOM 272 CB LYS A 19 0.754 3.868 -9.609 1.00 1.00 C ATOM 273 CG LYS A 19 0.989 3.648 -8.101 1.00 1.00 C ATOM 274 CD LYS A 19 0.492 4.838 -7.261 1.00 1.00 C ATOM 275 CE LYS A 19 1.240 6.146 -7.599 1.00 1.00 C ATOM 276 NZ LYS A 19 0.819 6.669 -8.930 1.00 1.00 N ATOM 0 H LYS A 19 2.754 1.759 -9.355 1.00 1.00 H new ATOM 0 HA LYS A 19 0.554 1.714 -9.998 1.00 1.00 H new ATOM 0 HB2 LYS A 19 1.371 4.692 -9.967 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -0.285 4.146 -9.788 1.00 1.00 H new ATOM 0 HG2 LYS A 19 0.476 2.740 -7.783 1.00 1.00 H new ATOM 0 HG3 LYS A 19 2.053 3.494 -7.918 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -0.576 4.978 -7.430 1.00 1.00 H new ATOM 0 HD3 LYS A 19 0.620 4.612 -6.203 1.00 1.00 H new ATOM 0 HE2 LYS A 19 1.041 6.893 -6.830 1.00 1.00 H new ATOM 0 HE3 LYS A 19 2.315 5.966 -7.598 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 1.538 6.426 -9.642 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -0.091 6.243 -9.198 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 0.716 7.703 -8.880 1.00 1.00 H new ATOM 290 N LYS A 20 1.160 1.823 -12.667 1.00 1.00 N ATOM 291 CA LYS A 20 0.766 1.875 -14.105 1.00 1.00 C ATOM 292 C LYS A 20 0.461 0.447 -14.513 1.00 1.00 C ATOM 293 O LYS A 20 1.077 -0.132 -15.380 1.00 1.00 O ATOM 294 CB LYS A 20 1.937 2.516 -14.925 1.00 1.00 C ATOM 295 CG LYS A 20 1.745 4.047 -15.030 1.00 1.00 C ATOM 296 CD LYS A 20 0.853 4.473 -16.240 1.00 1.00 C ATOM 297 CE LYS A 20 -0.603 3.951 -16.200 1.00 1.00 C ATOM 298 NZ LYS A 20 -0.669 2.502 -16.549 1.00 1.00 N ATOM 0 H LYS A 20 1.817 1.085 -12.412 1.00 1.00 H new ATOM 0 HA LYS A 20 -0.114 2.491 -14.291 1.00 1.00 H new ATOM 0 HB2 LYS A 20 2.890 2.294 -14.445 1.00 1.00 H new ATOM 0 HB3 LYS A 20 1.974 2.078 -15.923 1.00 1.00 H new ATOM 0 HG2 LYS A 20 1.295 4.414 -14.108 1.00 1.00 H new ATOM 0 HG3 LYS A 20 2.721 4.524 -15.120 1.00 1.00 H new ATOM 0 HD2 LYS A 20 0.831 5.562 -16.289 1.00 1.00 H new ATOM 0 HD3 LYS A 20 1.323 4.122 -17.159 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -1.020 4.107 -15.205 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -1.216 4.523 -16.896 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -1.238 2.378 -17.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 0.292 2.140 -16.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -1.107 1.976 -15.766 1.00 1.00 H new ATOM 312 N CYS A 21 -0.528 -0.084 -13.850 1.00 1.00 N ATOM 313 CA CYS A 21 -0.942 -1.483 -14.134 1.00 1.00 C ATOM 314 C CYS A 21 -1.992 -1.394 -15.252 1.00 1.00 C ATOM 315 O CYS A 21 -2.971 -0.684 -15.121 1.00 1.00 O ATOM 316 CB CYS A 21 -1.455 -2.043 -12.794 1.00 1.00 C ATOM 317 SG CYS A 21 -2.033 -3.754 -12.709 1.00 1.00 S ATOM 0 H CYS A 21 -1.066 0.391 -13.125 1.00 1.00 H new ATOM 0 HA CYS A 21 -0.161 -2.156 -14.487 1.00 1.00 H new ATOM 0 HB2 CYS A 21 -0.652 -1.932 -12.065 1.00 1.00 H new ATOM 0 HB3 CYS A 21 -2.275 -1.404 -12.465 1.00 1.00 H new ATOM 322 N LYS A 22 -1.744 -2.128 -16.319 1.00 1.00 N ATOM 323 CA LYS A 22 -2.678 -2.120 -17.505 1.00 1.00 C ATOM 324 C LYS A 22 -3.286 -3.426 -18.022 1.00 1.00 C ATOM 325 O LYS A 22 -2.724 -4.499 -17.927 1.00 1.00 O ATOM 326 CB LYS A 22 -1.935 -1.454 -18.649 1.00 1.00 C ATOM 327 CG LYS A 22 -1.893 0.059 -18.416 1.00 1.00 C ATOM 328 CD LYS A 22 -0.885 0.731 -19.359 1.00 1.00 C ATOM 329 CE LYS A 22 -1.093 0.343 -20.836 1.00 1.00 C ATOM 330 NZ LYS A 22 -0.521 -1.007 -21.119 1.00 1.00 N ATOM 0 H LYS A 22 -0.931 -2.736 -16.421 1.00 1.00 H new ATOM 0 HA LYS A 22 -3.558 -1.600 -17.126 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -0.922 -1.850 -18.719 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -2.429 -1.674 -19.595 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -2.884 0.483 -18.575 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -1.621 0.264 -17.381 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -0.967 1.813 -19.258 1.00 1.00 H new ATOM 0 HD3 LYS A 22 0.126 0.458 -19.056 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -2.157 0.348 -21.071 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.621 1.085 -21.481 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.190 -1.044 -22.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 0.278 -1.187 -20.478 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -1.252 -1.732 -20.972 1.00 1.00 H new ATOM 344 N ARG A 23 -4.449 -3.218 -18.585 1.00 1.00 N ATOM 345 CA ARG A 23 -5.285 -4.318 -19.174 1.00 1.00 C ATOM 346 C ARG A 23 -5.360 -4.300 -20.712 1.00 1.00 C ATOM 347 O ARG A 23 -6.293 -3.785 -21.298 1.00 1.00 O ATOM 348 CB ARG A 23 -6.749 -4.235 -18.553 1.00 1.00 C ATOM 349 CG ARG A 23 -7.657 -3.025 -18.976 1.00 1.00 C ATOM 350 CD ARG A 23 -6.970 -1.652 -18.848 1.00 1.00 C ATOM 351 NE ARG A 23 -6.077 -1.428 -20.033 1.00 1.00 N ATOM 352 CZ ARG A 23 -6.213 -0.371 -20.788 1.00 1.00 C ATOM 353 NH1 ARG A 23 -6.188 0.814 -20.242 1.00 1.00 N ATOM 354 NH2 ARG A 23 -6.368 -0.542 -22.072 1.00 1.00 N ATOM 0 H ARG A 23 -4.873 -2.294 -18.665 1.00 1.00 H new ATOM 0 HA ARG A 23 -4.799 -5.259 -18.918 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -7.275 -5.154 -18.811 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -6.652 -4.217 -17.467 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -7.975 -3.166 -20.009 1.00 1.00 H new ATOM 0 HG3 ARG A 23 -8.558 -3.028 -18.362 1.00 1.00 H new ATOM 0 HD2 ARG A 23 -7.719 -0.862 -18.789 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -6.388 -1.609 -17.927 1.00 1.00 H new ATOM 0 HE ARG A 23 -5.353 -2.112 -20.252 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -6.063 0.909 -19.234 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -6.293 1.646 -20.823 1.00 1.00 H new ATOM 0 HH21 ARG A 23 -6.381 -1.484 -22.463 1.00 1.00 H new ATOM 0 HH22 ARG A 23 -6.476 0.266 -22.685 1.00 1.00 H new ATOM 368 N ARG A 24 -4.365 -4.872 -21.344 1.00 1.00 N ATOM 369 CA ARG A 24 -4.366 -4.899 -22.843 1.00 1.00 C ATOM 370 C ARG A 24 -4.851 -6.298 -23.238 1.00 1.00 C ATOM 371 O ARG A 24 -4.249 -7.049 -23.981 1.00 1.00 O ATOM 372 CB ARG A 24 -2.929 -4.614 -23.348 1.00 1.00 C ATOM 373 CG ARG A 24 -2.372 -3.314 -22.694 1.00 1.00 C ATOM 374 CD ARG A 24 -3.357 -2.125 -22.827 1.00 1.00 C ATOM 375 NE ARG A 24 -3.667 -1.903 -24.270 1.00 1.00 N ATOM 376 CZ ARG A 24 -3.430 -0.740 -24.812 1.00 1.00 C ATOM 377 NH1 ARG A 24 -4.276 0.232 -24.609 1.00 1.00 N ATOM 378 NH2 ARG A 24 -2.355 -0.590 -25.536 1.00 1.00 N ATOM 0 H ARG A 24 -3.563 -5.316 -20.897 1.00 1.00 H new ATOM 0 HA ARG A 24 -5.016 -4.144 -23.285 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -2.279 -5.456 -23.110 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -2.932 -4.511 -24.433 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -2.168 -3.498 -21.639 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -1.423 -3.052 -23.161 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -4.273 -2.333 -22.274 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -2.920 -1.225 -22.394 1.00 1.00 H new ATOM 0 HE ARG A 24 -4.063 -2.658 -24.830 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -5.105 0.075 -24.035 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -4.109 1.149 -25.024 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -1.717 -1.374 -25.670 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -2.153 0.312 -25.968 1.00 1.00 H new ATOM 392 N GLY A 25 -5.994 -6.536 -22.652 1.00 1.00 N ATOM 393 CA GLY A 25 -6.803 -7.752 -22.757 1.00 1.00 C ATOM 394 C GLY A 25 -8.264 -7.316 -22.787 1.00 1.00 C ATOM 395 O GLY A 25 -8.570 -6.154 -22.976 1.00 1.00 O ATOM 0 H GLY A 25 -6.428 -5.844 -22.041 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -6.548 -8.308 -23.659 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -6.616 -8.414 -21.911 1.00 1.00 H new ATOM 399 N THR A 26 -9.121 -8.279 -22.594 1.00 1.00 N ATOM 400 CA THR A 26 -10.580 -8.013 -22.591 1.00 1.00 C ATOM 401 C THR A 26 -11.040 -7.763 -21.147 1.00 1.00 C ATOM 402 O THR A 26 -11.680 -6.767 -20.868 1.00 1.00 O ATOM 403 CB THR A 26 -11.298 -9.243 -23.243 1.00 1.00 C ATOM 404 OG1 THR A 26 -12.684 -8.934 -23.156 1.00 1.00 O ATOM 405 CG2 THR A 26 -11.123 -10.577 -22.477 1.00 1.00 C ATOM 0 H THR A 26 -8.865 -9.254 -22.436 1.00 1.00 H new ATOM 0 HA THR A 26 -10.831 -7.124 -23.170 1.00 1.00 H new ATOM 0 HB THR A 26 -10.884 -9.388 -24.241 1.00 1.00 H new ATOM 0 HG1 THR A 26 -13.207 -9.663 -23.549 1.00 1.00 H new ATOM 0 HG21 THR A 26 -11.654 -11.371 -23.002 1.00 1.00 H new ATOM 0 HG22 THR A 26 -10.064 -10.827 -22.418 1.00 1.00 H new ATOM 0 HG23 THR A 26 -11.528 -10.474 -21.470 1.00 1.00 H new ATOM 413 N ASN A 27 -10.698 -8.676 -20.279 1.00 1.00 N ATOM 414 CA ASN A 27 -11.077 -8.561 -18.834 1.00 1.00 C ATOM 415 C ASN A 27 -10.261 -7.440 -18.149 1.00 1.00 C ATOM 416 O ASN A 27 -9.293 -6.957 -18.706 1.00 1.00 O ATOM 417 CB ASN A 27 -10.811 -9.923 -18.169 1.00 1.00 C ATOM 418 CG ASN A 27 -11.322 -9.908 -16.724 1.00 1.00 C ATOM 419 OD1 ASN A 27 -12.497 -9.743 -16.463 1.00 1.00 O ATOM 420 ND2 ASN A 27 -10.467 -10.074 -15.756 1.00 1.00 N ATOM 0 H ASN A 27 -10.163 -9.513 -20.511 1.00 1.00 H new ATOM 0 HA ASN A 27 -12.130 -8.299 -18.735 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -11.307 -10.715 -18.731 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -9.743 -10.142 -18.184 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -10.786 -10.065 -14.787 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -9.479 -10.213 -15.967 1.00 1.00 H new ATOM 427 N ILE A 28 -10.675 -7.063 -16.962 1.00 1.00 N ATOM 428 CA ILE A 28 -9.955 -5.986 -16.207 1.00 1.00 C ATOM 429 C ILE A 28 -8.594 -6.447 -15.703 1.00 1.00 C ATOM 430 O ILE A 28 -7.665 -5.671 -15.789 1.00 1.00 O ATOM 431 CB ILE A 28 -10.764 -5.524 -14.983 1.00 1.00 C ATOM 432 CG1 ILE A 28 -12.105 -4.924 -15.451 1.00 1.00 C ATOM 433 CG2 ILE A 28 -9.939 -4.434 -14.221 1.00 1.00 C ATOM 434 CD1 ILE A 28 -12.987 -4.589 -14.225 1.00 1.00 C ATOM 0 H ILE A 28 -11.484 -7.456 -16.481 1.00 1.00 H new ATOM 0 HA ILE A 28 -9.827 -5.167 -16.915 1.00 1.00 H new ATOM 0 HB ILE A 28 -10.961 -6.369 -14.324 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -11.925 -4.023 -16.038 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -12.623 -5.630 -16.101 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -10.500 -4.096 -13.350 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -8.988 -4.857 -13.898 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.754 -3.589 -14.884 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -13.933 -4.165 -14.562 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -13.179 -5.498 -13.656 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -12.471 -3.867 -13.592 1.00 1.00 H new ATOM 446 N GLU A 29 -8.525 -7.667 -15.209 1.00 1.00 N ATOM 447 CA GLU A 29 -7.245 -8.235 -14.671 1.00 1.00 C ATOM 448 C GLU A 29 -6.073 -7.772 -15.529 1.00 1.00 C ATOM 449 O GLU A 29 -5.777 -8.301 -16.583 1.00 1.00 O ATOM 450 CB GLU A 29 -7.336 -9.776 -14.670 1.00 1.00 C ATOM 451 CG GLU A 29 -8.311 -10.226 -13.558 1.00 1.00 C ATOM 452 CD GLU A 29 -8.469 -11.759 -13.590 1.00 1.00 C ATOM 453 OE1 GLU A 29 -8.993 -12.238 -14.584 1.00 1.00 O ATOM 454 OE2 GLU A 29 -8.055 -12.369 -12.617 1.00 1.00 O ATOM 0 H GLU A 29 -9.320 -8.303 -15.157 1.00 1.00 H new ATOM 0 HA GLU A 29 -7.086 -7.885 -13.651 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -7.682 -10.133 -15.640 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -6.350 -10.211 -14.504 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -7.937 -9.910 -12.584 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -9.281 -9.748 -13.697 1.00 1.00 H new ATOM 461 N LYS A 30 -5.460 -6.754 -14.983 1.00 1.00 N ATOM 462 CA LYS A 30 -4.291 -6.106 -15.632 1.00 1.00 C ATOM 463 C LYS A 30 -2.977 -6.526 -14.998 1.00 1.00 C ATOM 464 O LYS A 30 -2.981 -7.173 -13.974 1.00 1.00 O ATOM 465 CB LYS A 30 -4.472 -4.590 -15.521 1.00 1.00 C ATOM 466 CG LYS A 30 -4.676 -4.108 -14.097 1.00 1.00 C ATOM 467 CD LYS A 30 -6.116 -3.699 -13.837 1.00 1.00 C ATOM 468 CE LYS A 30 -6.479 -2.467 -14.691 1.00 1.00 C ATOM 469 NZ LYS A 30 -7.894 -2.100 -14.449 1.00 1.00 N ATOM 0 H LYS A 30 -5.731 -6.338 -14.092 1.00 1.00 H new ATOM 0 HA LYS A 30 -4.247 -6.418 -16.675 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -3.596 -4.096 -15.942 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -5.328 -4.289 -16.124 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.392 -4.898 -13.402 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -4.018 -3.261 -13.903 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -6.786 -4.526 -14.074 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.252 -3.471 -12.780 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -5.827 -1.631 -14.439 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -6.324 -2.685 -15.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -7.964 -1.075 -14.288 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -8.467 -2.360 -15.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -8.246 -2.607 -13.612 1.00 1.00 H new ATOM 483 N ARG A 31 -1.911 -6.123 -15.642 1.00 1.00 N ATOM 484 CA ARG A 31 -0.529 -6.422 -15.198 1.00 1.00 C ATOM 485 C ARG A 31 0.096 -5.121 -14.718 1.00 1.00 C ATOM 486 O ARG A 31 -0.484 -4.074 -14.918 1.00 1.00 O ATOM 487 CB ARG A 31 0.303 -6.982 -16.350 1.00 1.00 C ATOM 488 CG ARG A 31 0.105 -6.108 -17.598 1.00 1.00 C ATOM 489 CD ARG A 31 1.296 -6.310 -18.541 1.00 1.00 C ATOM 490 NE ARG A 31 1.031 -5.701 -19.892 1.00 1.00 N ATOM 491 CZ ARG A 31 -0.131 -5.183 -20.205 1.00 1.00 C ATOM 492 NH1 ARG A 31 -0.455 -4.010 -19.738 1.00 1.00 N ATOM 493 NH2 ARG A 31 -0.936 -5.861 -20.975 1.00 1.00 N ATOM 0 H ARG A 31 -1.954 -5.572 -16.499 1.00 1.00 H new ATOM 0 HA ARG A 31 -0.554 -7.166 -14.402 1.00 1.00 H new ATOM 0 HB2 ARG A 31 1.357 -7.006 -16.073 1.00 1.00 H new ATOM 0 HB3 ARG A 31 0.006 -8.009 -16.562 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -0.824 -6.375 -18.102 1.00 1.00 H new ATOM 0 HG3 ARG A 31 0.023 -5.059 -17.314 1.00 1.00 H new ATOM 0 HD2 ARG A 31 2.188 -5.860 -18.105 1.00 1.00 H new ATOM 0 HD3 ARG A 31 1.498 -7.375 -18.653 1.00 1.00 H new ATOM 0 HE ARG A 31 1.779 -5.691 -20.585 1.00 1.00 H new ATOM 0 HH11 ARG A 31 0.194 -3.504 -19.135 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -1.357 -3.598 -19.976 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -0.657 -6.778 -21.323 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -1.845 -5.474 -21.229 1.00 1.00 H new ATOM 507 N CYS A 32 1.265 -5.247 -14.145 1.00 1.00 N ATOM 508 CA CYS A 32 2.030 -4.093 -13.584 1.00 1.00 C ATOM 509 C CYS A 32 3.130 -3.395 -14.388 1.00 1.00 C ATOM 510 O CYS A 32 4.217 -3.916 -14.537 1.00 1.00 O ATOM 511 CB CYS A 32 2.647 -4.556 -12.253 1.00 1.00 C ATOM 512 SG CYS A 32 1.759 -4.293 -10.702 1.00 1.00 S ATOM 0 H CYS A 32 1.740 -6.143 -14.039 1.00 1.00 H new ATOM 0 HA CYS A 32 1.266 -3.317 -13.539 1.00 1.00 H new ATOM 0 HB2 CYS A 32 2.837 -5.626 -12.339 1.00 1.00 H new ATOM 0 HB3 CYS A 32 3.616 -4.066 -12.158 1.00 1.00 H new ATOM 517 N ARG A 33 2.806 -2.228 -14.883 1.00 1.00 N ATOM 518 CA ARG A 33 3.773 -1.419 -15.674 1.00 1.00 C ATOM 519 C ARG A 33 3.956 -0.055 -14.942 1.00 1.00 C ATOM 520 O ARG A 33 3.355 0.130 -13.883 1.00 1.00 O ATOM 521 CB ARG A 33 3.200 -1.237 -17.091 1.00 1.00 C ATOM 522 CG ARG A 33 3.038 -2.617 -17.752 1.00 1.00 C ATOM 523 CD ARG A 33 2.266 -2.463 -19.058 1.00 1.00 C ATOM 524 NE ARG A 33 3.029 -1.586 -19.994 1.00 1.00 N ATOM 525 CZ ARG A 33 3.359 -2.032 -21.175 1.00 1.00 C ATOM 526 NH1 ARG A 33 2.447 -2.080 -22.107 1.00 1.00 N ATOM 527 NH2 ARG A 33 4.588 -2.416 -21.382 1.00 1.00 N ATOM 528 OXT ARG A 33 4.700 0.743 -15.488 1.00 1.00 O ATOM 0 H ARG A 33 1.890 -1.795 -14.767 1.00 1.00 H new ATOM 0 HA ARG A 33 4.746 -1.903 -15.761 1.00 1.00 H new ATOM 0 HB2 ARG A 33 2.238 -0.728 -17.044 1.00 1.00 H new ATOM 0 HB3 ARG A 33 3.864 -0.611 -17.687 1.00 1.00 H new ATOM 0 HG2 ARG A 33 4.016 -3.058 -17.944 1.00 1.00 H new ATOM 0 HG3 ARG A 33 2.509 -3.294 -17.081 1.00 1.00 H new ATOM 0 HD2 ARG A 33 2.102 -3.440 -19.512 1.00 1.00 H new ATOM 0 HD3 ARG A 33 1.283 -2.034 -18.862 1.00 1.00 H new ATOM 0 HE ARG A 33 3.291 -0.642 -19.712 1.00 1.00 H new ATOM 0 HH11 ARG A 33 1.496 -1.772 -21.906 1.00 1.00 H new ATOM 0 HH12 ARG A 33 2.685 -2.426 -23.037 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.272 -2.365 -20.627 1.00 1.00 H new ATOM 0 HH22 ARG A 33 4.865 -2.768 -22.299 1.00 1.00 H new TER 542 ARG A 33