USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 281 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 VAL N :NH3+ 141:sc= -0.126 (180deg=-0.279) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= -0.0378 (180deg=-0.23) USER MOD Single : A 9 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.3) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 12 GLN : amide:sc= 0.405 K(o=0.41,f=-7.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0656) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -179:sc= -0.475 (180deg=-0.497) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= -0.035 (180deg=-0.232) USER MOD Single : A 29 ASN : amide:sc= -3.63! K(o=-3.6!,f=-0.075) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= -0.0492 (180deg=-0.276) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.605 -8.633 -4.234 1.00 0.00 N ATOM 2 CA VAL A 1 -5.144 -7.270 -3.880 1.00 0.00 C ATOM 3 C VAL A 1 -3.628 -7.211 -3.819 1.00 0.00 C ATOM 4 O VAL A 1 -2.952 -8.233 -3.940 1.00 0.00 O ATOM 5 CB VAL A 1 -5.718 -6.785 -2.532 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.197 -6.470 -2.665 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.486 -7.823 -1.442 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.455 -8.866 -3.682 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.830 -8.671 -5.249 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.854 -9.320 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.511 -6.610 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.196 -5.871 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -7.584 -6.130 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.337 -5.687 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -7.733 -7.367 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.899 -7.460 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.977 -8.756 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.416 -7.996 -1.326 1.00 0.00 H new ATOM 19 N GLY A 2 -3.101 -6.014 -3.618 1.00 0.00 N ATOM 20 CA GLY A 2 -1.670 -5.828 -3.642 1.00 0.00 C ATOM 21 C GLY A 2 -1.227 -5.226 -4.951 1.00 0.00 C ATOM 22 O GLY A 2 -1.323 -5.864 -6.000 1.00 0.00 O ATOM 0 H GLY A 2 -3.641 -5.168 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.370 -5.179 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.172 -6.786 -3.491 1.00 0.00 H new ATOM 26 N ILE A 3 -0.743 -4.001 -4.899 1.00 0.00 N ATOM 27 CA ILE A 3 -0.460 -3.254 -6.107 1.00 0.00 C ATOM 28 C ILE A 3 0.981 -3.448 -6.552 1.00 0.00 C ATOM 29 O ILE A 3 1.778 -4.109 -5.878 1.00 0.00 O ATOM 30 CB ILE A 3 -0.727 -1.756 -5.895 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.362 -1.151 -5.009 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.106 -1.568 -5.275 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.221 0.335 -4.780 1.00 0.00 C ATOM 0 H ILE A 3 -0.538 -3.502 -4.033 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.122 -3.634 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.706 -1.240 -6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.353 -1.658 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.334 -1.347 -5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.295 -0.505 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.864 -1.981 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.147 -2.083 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.033 0.683 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.262 0.856 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.734 0.540 -4.296 1.00 0.00 H new ATOM 45 N ASN A 4 1.307 -2.841 -7.677 1.00 0.00 N ATOM 46 CA ASN A 4 2.629 -2.962 -8.268 1.00 0.00 C ATOM 47 C ASN A 4 3.421 -1.695 -7.991 1.00 0.00 C ATOM 48 O ASN A 4 3.425 -0.757 -8.792 1.00 0.00 O ATOM 49 CB ASN A 4 2.516 -3.211 -9.775 1.00 0.00 C ATOM 50 CG ASN A 4 3.865 -3.341 -10.457 1.00 0.00 C ATOM 51 OD1 ASN A 4 4.846 -3.788 -9.861 1.00 0.00 O ATOM 52 ND2 ASN A 4 3.920 -2.944 -11.715 1.00 0.00 N ATOM 0 H ASN A 4 0.666 -2.251 -8.207 1.00 0.00 H new ATOM 0 HA ASN A 4 3.149 -3.811 -7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.940 -4.120 -9.945 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.961 -2.392 -10.232 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.799 -3.002 -12.230 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.084 -2.580 -12.172 1.00 0.00 H new ATOM 59 N VAL A 5 4.072 -1.667 -6.843 1.00 0.00 N ATOM 60 CA VAL A 5 4.753 -0.473 -6.381 1.00 0.00 C ATOM 61 C VAL A 5 6.023 -0.864 -5.629 1.00 0.00 C ATOM 62 O VAL A 5 6.319 -2.049 -5.483 1.00 0.00 O ATOM 63 CB VAL A 5 3.823 0.352 -5.457 1.00 0.00 C ATOM 64 CG1 VAL A 5 3.930 -0.119 -4.019 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.102 1.846 -5.575 1.00 0.00 C ATOM 0 H VAL A 5 4.143 -2.464 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 5 5.020 0.139 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 5 2.797 0.187 -5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.267 0.476 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.642 -1.169 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.957 -0.004 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.432 2.395 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.135 2.047 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.939 2.166 -6.604 1.00 0.00 H new ATOM 75 N ASP A 6 6.756 0.127 -5.141 1.00 0.00 N ATOM 76 CA ASP A 6 7.981 -0.122 -4.397 1.00 0.00 C ATOM 77 C ASP A 6 7.992 0.705 -3.127 1.00 0.00 C ATOM 78 O ASP A 6 8.166 1.926 -3.167 1.00 0.00 O ATOM 79 CB ASP A 6 9.223 0.226 -5.213 1.00 0.00 C ATOM 80 CG ASP A 6 9.278 -0.460 -6.563 1.00 0.00 C ATOM 81 OD1 ASP A 6 9.590 -1.666 -6.612 1.00 0.00 O ATOM 82 OD2 ASP A 6 9.027 0.213 -7.586 1.00 0.00 O ATOM 0 H ASP A 6 6.522 1.114 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 6 8.005 -1.186 -4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.258 1.305 -5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.110 -0.046 -4.641 1.00 0.00 H new ATOM 87 N CYS A 7 7.792 0.047 -2.009 1.00 0.00 N ATOM 88 CA CYS A 7 7.781 0.726 -0.723 1.00 0.00 C ATOM 89 C CYS A 7 9.157 0.733 -0.093 1.00 0.00 C ATOM 90 O CYS A 7 9.879 -0.265 -0.117 1.00 0.00 O ATOM 91 CB CYS A 7 6.788 0.085 0.245 1.00 0.00 C ATOM 92 SG CYS A 7 6.855 -1.735 0.299 1.00 0.00 S ATOM 0 H CYS A 7 7.634 -0.959 -1.958 1.00 0.00 H new ATOM 0 HA CYS A 7 7.470 1.753 -0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.974 0.473 1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.779 0.391 -0.033 1.00 0.00 H new ATOM 97 N LYS A 8 9.518 1.876 0.455 1.00 0.00 N ATOM 98 CA LYS A 8 10.686 1.974 1.301 1.00 0.00 C ATOM 99 C LYS A 8 10.293 1.560 2.710 1.00 0.00 C ATOM 100 O LYS A 8 11.139 1.207 3.528 1.00 0.00 O ATOM 101 CB LYS A 8 11.223 3.406 1.293 1.00 0.00 C ATOM 102 CG LYS A 8 11.447 3.950 -0.105 1.00 0.00 C ATOM 103 CD LYS A 8 11.955 5.377 -0.081 1.00 0.00 C ATOM 104 CE LYS A 8 12.099 5.937 -1.486 1.00 0.00 C ATOM 105 NZ LYS A 8 13.026 5.126 -2.320 1.00 0.00 N ATOM 0 H LYS A 8 9.014 2.754 0.327 1.00 0.00 H new ATOM 0 HA LYS A 8 11.474 1.318 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.522 4.053 1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.163 3.438 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.164 3.318 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.513 3.906 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.268 6.000 0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.918 5.414 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.120 5.973 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.465 6.962 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.254 5.646 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.900 4.942 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.573 4.223 -2.565 1.00 0.00 H new ATOM 119 N HIS A 9 8.985 1.610 2.971 1.00 0.00 N ATOM 120 CA HIS A 9 8.425 1.212 4.260 1.00 0.00 C ATOM 121 C HIS A 9 6.903 1.163 4.187 1.00 0.00 C ATOM 122 O HIS A 9 6.313 1.669 3.233 1.00 0.00 O ATOM 123 CB HIS A 9 8.873 2.151 5.390 1.00 0.00 C ATOM 124 CG HIS A 9 8.773 3.608 5.059 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.830 4.330 4.561 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.734 4.469 5.137 1.00 0.00 C ATOM 127 CE1 HIS A 9 9.447 5.567 4.339 1.00 0.00 C ATOM 128 NE2 HIS A 9 8.177 5.684 4.682 1.00 0.00 N ATOM 0 H HIS A 9 8.288 1.926 2.296 1.00 0.00 H new ATOM 0 HA HIS A 9 8.803 0.215 4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.269 1.949 6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.906 1.920 5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.740 4.242 5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.068 6.357 3.942 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.619 6.536 4.619 1.00 0.00 H new ATOM 137 N SER A 10 6.280 0.573 5.193 1.00 0.00 N ATOM 138 CA SER A 10 4.833 0.389 5.208 1.00 0.00 C ATOM 139 C SER A 10 4.086 1.722 5.276 1.00 0.00 C ATOM 140 O SER A 10 3.081 1.912 4.592 1.00 0.00 O ATOM 141 CB SER A 10 4.456 -0.493 6.397 1.00 0.00 C ATOM 142 OG SER A 10 5.168 -0.100 7.561 1.00 0.00 O ATOM 0 H SER A 10 6.756 0.209 6.018 1.00 0.00 H new ATOM 0 HA SER A 10 4.538 -0.093 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.384 -0.425 6.581 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.674 -1.536 6.166 1.00 0.00 H new ATOM 0 HG SER A 10 4.911 -0.676 8.311 1.00 0.00 H new ATOM 148 N GLY A 11 4.603 2.645 6.080 1.00 0.00 N ATOM 149 CA GLY A 11 3.933 3.916 6.316 1.00 0.00 C ATOM 150 C GLY A 11 3.630 4.704 5.052 1.00 0.00 C ATOM 151 O GLY A 11 2.621 5.402 4.981 1.00 0.00 O ATOM 0 H GLY A 11 5.486 2.535 6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.000 3.729 6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.555 4.526 6.971 1.00 0.00 H new ATOM 155 N GLN A 12 4.490 4.594 4.046 1.00 0.00 N ATOM 156 CA GLN A 12 4.299 5.353 2.811 1.00 0.00 C ATOM 157 C GLN A 12 3.470 4.569 1.803 1.00 0.00 C ATOM 158 O GLN A 12 3.182 5.056 0.714 1.00 0.00 O ATOM 159 CB GLN A 12 5.639 5.723 2.181 1.00 0.00 C ATOM 160 CG GLN A 12 6.436 4.520 1.714 1.00 0.00 C ATOM 161 CD GLN A 12 7.626 4.895 0.855 1.00 0.00 C ATOM 162 OE1 GLN A 12 8.049 4.121 0.000 1.00 0.00 O ATOM 163 NE2 GLN A 12 8.172 6.081 1.069 1.00 0.00 N ATOM 0 H GLN A 12 5.316 3.996 4.057 1.00 0.00 H new ATOM 0 HA GLN A 12 3.764 6.265 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.463 6.385 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.231 6.283 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.784 3.962 2.583 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.782 3.855 1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.791 6.695 1.789 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.974 6.381 0.514 1.00 0.00 H new ATOM 172 N CYS A 13 3.087 3.356 2.169 1.00 0.00 N ATOM 173 CA CYS A 13 2.324 2.494 1.278 1.00 0.00 C ATOM 174 C CYS A 13 0.884 2.976 1.195 1.00 0.00 C ATOM 175 O CYS A 13 0.174 2.729 0.217 1.00 0.00 O ATOM 176 CB CYS A 13 2.371 1.053 1.783 1.00 0.00 C ATOM 177 SG CYS A 13 1.435 -0.120 0.768 1.00 0.00 S ATOM 0 H CYS A 13 3.292 2.945 3.079 1.00 0.00 H new ATOM 0 HA CYS A 13 2.764 2.532 0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.411 0.729 1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.984 1.024 2.802 1.00 0.00 H new ATOM 182 N LEU A 14 0.480 3.699 2.227 1.00 0.00 N ATOM 183 CA LEU A 14 -0.866 4.235 2.331 1.00 0.00 C ATOM 184 C LEU A 14 -1.178 5.170 1.170 1.00 0.00 C ATOM 185 O LEU A 14 -2.264 5.128 0.594 1.00 0.00 O ATOM 186 CB LEU A 14 -1.014 5.003 3.646 1.00 0.00 C ATOM 187 CG LEU A 14 -1.167 4.164 4.920 1.00 0.00 C ATOM 188 CD1 LEU A 14 -2.346 3.228 4.789 1.00 0.00 C ATOM 189 CD2 LEU A 14 0.099 3.382 5.215 1.00 0.00 C ATOM 0 H LEU A 14 1.080 3.931 3.019 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.565 3.399 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.142 5.646 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.882 5.656 3.563 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.345 4.842 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.445 2.637 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.255 3.808 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.190 2.562 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.039 2.796 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.316 2.713 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.930 4.074 5.351 1.00 0.00 H new ATOM 201 N LYS A 15 -0.208 6.004 0.838 1.00 0.00 N ATOM 202 CA LYS A 15 -0.358 7.013 -0.188 1.00 0.00 C ATOM 203 C LYS A 15 -0.784 6.423 -1.550 1.00 0.00 C ATOM 204 O LYS A 15 -1.865 6.755 -2.041 1.00 0.00 O ATOM 205 CB LYS A 15 0.946 7.818 -0.280 1.00 0.00 C ATOM 206 CG LYS A 15 1.081 8.636 -1.540 1.00 0.00 C ATOM 207 CD LYS A 15 2.359 9.462 -1.535 1.00 0.00 C ATOM 208 CE LYS A 15 2.496 10.298 -2.797 1.00 0.00 C ATOM 209 NZ LYS A 15 3.697 11.173 -2.755 1.00 0.00 N ATOM 0 H LYS A 15 0.712 5.997 1.278 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.173 7.681 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.010 8.484 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.789 7.131 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.078 7.975 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.220 9.297 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.365 10.116 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.220 8.799 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.557 9.640 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.604 10.912 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.754 11.726 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.628 11.819 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.551 10.587 -2.659 1.00 0.00 H new ATOM 223 N PRO A 16 0.015 5.536 -2.187 1.00 0.00 N ATOM 224 CA PRO A 16 -0.311 5.034 -3.525 1.00 0.00 C ATOM 225 C PRO A 16 -1.380 3.945 -3.535 1.00 0.00 C ATOM 226 O PRO A 16 -2.179 3.860 -4.471 1.00 0.00 O ATOM 227 CB PRO A 16 1.019 4.467 -4.011 1.00 0.00 C ATOM 228 CG PRO A 16 1.689 3.993 -2.771 1.00 0.00 C ATOM 229 CD PRO A 16 1.288 4.967 -1.691 1.00 0.00 C ATOM 0 HA PRO A 16 -0.729 5.823 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.869 3.652 -4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.613 5.226 -4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.376 2.980 -2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.772 3.970 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.157 4.468 -0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.043 5.740 -1.548 1.00 0.00 H new ATOM 237 N CYS A 17 -1.408 3.117 -2.504 1.00 0.00 N ATOM 238 CA CYS A 17 -2.290 1.962 -2.497 1.00 0.00 C ATOM 239 C CYS A 17 -3.732 2.386 -2.248 1.00 0.00 C ATOM 240 O CYS A 17 -4.676 1.712 -2.673 1.00 0.00 O ATOM 241 CB CYS A 17 -1.836 0.943 -1.452 1.00 0.00 C ATOM 242 SG CYS A 17 -2.472 -0.738 -1.745 1.00 0.00 S ATOM 0 H CYS A 17 -0.835 3.222 -1.667 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.240 1.489 -3.478 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.747 0.912 -1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.159 1.278 -0.466 1.00 0.00 H new ATOM 247 N LYS A 18 -3.908 3.524 -1.592 1.00 0.00 N ATOM 248 CA LYS A 18 -5.236 4.034 -1.322 1.00 0.00 C ATOM 249 C LYS A 18 -5.838 4.619 -2.591 1.00 0.00 C ATOM 250 O LYS A 18 -7.041 4.505 -2.835 1.00 0.00 O ATOM 251 CB LYS A 18 -5.162 5.093 -0.238 1.00 0.00 C ATOM 252 CG LYS A 18 -6.494 5.412 0.403 1.00 0.00 C ATOM 253 CD LYS A 18 -6.313 6.424 1.512 1.00 0.00 C ATOM 254 CE LYS A 18 -7.586 6.602 2.322 1.00 0.00 C ATOM 255 NZ LYS A 18 -8.727 7.062 1.483 1.00 0.00 N ATOM 0 H LYS A 18 -3.148 4.107 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.873 3.218 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.469 4.759 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.748 6.007 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.182 5.803 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.941 4.501 0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.505 6.103 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.016 7.382 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.846 5.657 2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.409 7.324 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.550 7.251 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.460 7.933 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.969 6.324 0.791 1.00 0.00 H new ATOM 269 N LYS A 19 -4.986 5.235 -3.404 1.00 0.00 N ATOM 270 CA LYS A 19 -5.406 5.788 -4.685 1.00 0.00 C ATOM 271 C LYS A 19 -5.695 4.660 -5.670 1.00 0.00 C ATOM 272 O LYS A 19 -6.483 4.819 -6.603 1.00 0.00 O ATOM 273 CB LYS A 19 -4.328 6.727 -5.241 1.00 0.00 C ATOM 274 CG LYS A 19 -4.699 7.384 -6.565 1.00 0.00 C ATOM 275 CD LYS A 19 -5.957 8.229 -6.443 1.00 0.00 C ATOM 276 CE LYS A 19 -6.313 8.891 -7.765 1.00 0.00 C ATOM 277 NZ LYS A 19 -7.580 9.663 -7.676 1.00 0.00 N ATOM 0 H LYS A 19 -3.996 5.364 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.319 6.365 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.125 7.505 -4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.404 6.164 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.873 8.009 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.850 6.615 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.786 7.603 -6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.811 8.993 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.504 9.556 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.406 8.129 -8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.787 10.098 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.358 9.025 -7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.483 10.407 -6.956 1.00 0.00 H new ATOM 291 N ALA A 20 -5.055 3.517 -5.451 1.00 0.00 N ATOM 292 CA ALA A 20 -5.307 2.332 -6.258 1.00 0.00 C ATOM 293 C ALA A 20 -6.735 1.846 -6.046 1.00 0.00 C ATOM 294 O ALA A 20 -7.494 1.670 -7.002 1.00 0.00 O ATOM 295 CB ALA A 20 -4.316 1.231 -5.912 1.00 0.00 C ATOM 0 H ALA A 20 -4.356 3.387 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.178 2.593 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.519 0.353 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.302 1.581 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.416 0.969 -4.859 1.00 0.00 H new ATOM 301 N GLY A 21 -7.103 1.654 -4.786 1.00 0.00 N ATOM 302 CA GLY A 21 -8.455 1.232 -4.474 1.00 0.00 C ATOM 303 C GLY A 21 -8.572 0.508 -3.148 1.00 0.00 C ATOM 304 O GLY A 21 -9.653 0.038 -2.789 1.00 0.00 O ATOM 0 H GLY A 21 -6.493 1.782 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.106 2.106 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.816 0.579 -5.269 1.00 0.00 H new ATOM 308 N MET A 22 -7.477 0.411 -2.409 1.00 0.00 N ATOM 309 CA MET A 22 -7.507 -0.265 -1.123 1.00 0.00 C ATOM 310 C MET A 22 -7.507 0.751 0.006 1.00 0.00 C ATOM 311 O MET A 22 -7.514 1.954 -0.248 1.00 0.00 O ATOM 312 CB MET A 22 -6.340 -1.244 -0.982 1.00 0.00 C ATOM 313 CG MET A 22 -6.416 -2.414 -1.954 1.00 0.00 C ATOM 314 SD MET A 22 -6.010 -1.942 -3.650 1.00 0.00 S ATOM 315 CE MET A 22 -6.408 -3.446 -4.533 1.00 0.00 C ATOM 0 H MET A 22 -6.567 0.787 -2.674 1.00 0.00 H new ATOM 0 HA MET A 22 -8.428 -0.846 -1.065 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.404 -0.708 -1.141 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.318 -1.628 0.038 1.00 0.00 H new ATOM 0 HG2 MET A 22 -5.733 -3.198 -1.626 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.421 -2.836 -1.930 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.192 -3.314 -5.593 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.809 -4.268 -4.140 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.466 -3.674 -4.404 1.00 0.00 H new ATOM 325 N ARG A 23 -7.507 0.285 1.245 1.00 0.00 N ATOM 326 CA ARG A 23 -7.635 1.195 2.374 1.00 0.00 C ATOM 327 C ARG A 23 -6.285 1.482 3.009 1.00 0.00 C ATOM 328 O ARG A 23 -5.860 2.634 3.105 1.00 0.00 O ATOM 329 CB ARG A 23 -8.613 0.625 3.409 1.00 0.00 C ATOM 330 CG ARG A 23 -10.036 0.551 2.889 1.00 0.00 C ATOM 331 CD ARG A 23 -11.050 0.395 4.007 1.00 0.00 C ATOM 332 NE ARG A 23 -11.072 -0.963 4.538 1.00 0.00 N ATOM 333 CZ ARG A 23 -11.356 -1.262 5.800 1.00 0.00 C ATOM 334 NH1 ARG A 23 -11.621 -0.298 6.673 1.00 0.00 N ATOM 335 NH2 ARG A 23 -11.365 -2.529 6.188 1.00 0.00 N ATOM 0 H ARG A 23 -7.421 -0.701 1.493 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.031 2.140 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.285 -0.372 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.590 1.245 4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.260 1.454 2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.126 -0.289 2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.816 1.094 4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.041 0.656 3.636 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.856 -1.730 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.607 0.678 6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.839 -0.533 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.154 -3.269 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.583 -2.764 7.156 1.00 0.00 H new ATOM 349 N PHE A 24 -5.609 0.429 3.420 1.00 0.00 N ATOM 350 CA PHE A 24 -4.343 0.560 4.125 1.00 0.00 C ATOM 351 C PHE A 24 -3.202 0.147 3.210 1.00 0.00 C ATOM 352 O PHE A 24 -3.359 0.145 1.991 1.00 0.00 O ATOM 353 CB PHE A 24 -4.366 -0.315 5.378 1.00 0.00 C ATOM 354 CG PHE A 24 -5.745 -0.480 5.929 1.00 0.00 C ATOM 355 CD1 PHE A 24 -6.311 0.470 6.759 1.00 0.00 C ATOM 356 CD2 PHE A 24 -6.483 -1.584 5.577 1.00 0.00 C ATOM 357 CE1 PHE A 24 -7.597 0.306 7.232 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.766 -1.755 6.039 1.00 0.00 C ATOM 359 CZ PHE A 24 -8.326 -0.808 6.871 1.00 0.00 C ATOM 0 H PHE A 24 -5.914 -0.534 3.279 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.194 1.598 4.422 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.952 -1.295 5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.723 0.127 6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.744 1.345 7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.048 -2.329 4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.032 1.049 7.884 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.334 -2.628 5.752 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.333 -0.938 7.239 1.00 0.00 H new ATOM 369 N GLY A 25 -2.063 -0.197 3.789 1.00 0.00 N ATOM 370 CA GLY A 25 -0.937 -0.621 2.990 1.00 0.00 C ATOM 371 C GLY A 25 0.231 -1.072 3.832 1.00 0.00 C ATOM 372 O GLY A 25 0.565 -0.431 4.831 1.00 0.00 O ATOM 0 H GLY A 25 -1.899 -0.190 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.246 -1.437 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.622 0.201 2.347 1.00 0.00 H new ATOM 376 N LYS A 26 0.851 -2.175 3.443 1.00 0.00 N ATOM 377 CA LYS A 26 2.021 -2.673 4.137 1.00 0.00 C ATOM 378 C LYS A 26 3.159 -2.902 3.157 1.00 0.00 C ATOM 379 O LYS A 26 2.952 -2.911 1.942 1.00 0.00 O ATOM 380 CB LYS A 26 1.693 -3.970 4.872 1.00 0.00 C ATOM 381 CG LYS A 26 0.751 -3.775 6.042 1.00 0.00 C ATOM 382 CD LYS A 26 0.421 -5.090 6.724 1.00 0.00 C ATOM 383 CE LYS A 26 -0.522 -4.885 7.898 1.00 0.00 C ATOM 384 NZ LYS A 26 -1.821 -4.298 7.475 1.00 0.00 N ATOM 0 H LYS A 26 0.560 -2.742 2.647 1.00 0.00 H new ATOM 0 HA LYS A 26 2.332 -1.926 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.248 -4.675 4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.619 -4.420 5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.203 -3.095 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.169 -3.305 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.034 -5.771 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.340 -5.562 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.700 -5.841 8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.051 -4.231 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.512 -4.393 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.690 -3.291 7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.171 -4.799 6.633 1.00 0.00 H new ATOM 398 N CYS A 27 4.350 -3.098 3.686 1.00 0.00 N ATOM 399 CA CYS A 27 5.523 -3.299 2.853 1.00 0.00 C ATOM 400 C CYS A 27 5.991 -4.740 2.972 1.00 0.00 C ATOM 401 O CYS A 27 6.648 -5.116 3.945 1.00 0.00 O ATOM 402 CB CYS A 27 6.641 -2.339 3.256 1.00 0.00 C ATOM 403 SG CYS A 27 7.923 -2.135 1.980 1.00 0.00 S ATOM 0 H CYS A 27 4.533 -3.123 4.689 1.00 0.00 H new ATOM 0 HA CYS A 27 5.260 -3.093 1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.208 -1.365 3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.107 -2.702 4.172 1.00 0.00 H new ATOM 408 N ILE A 28 5.636 -5.547 1.985 1.00 0.00 N ATOM 409 CA ILE A 28 5.874 -6.979 2.047 1.00 0.00 C ATOM 410 C ILE A 28 7.180 -7.342 1.328 1.00 0.00 C ATOM 411 O ILE A 28 8.246 -7.314 1.937 1.00 0.00 O ATOM 412 CB ILE A 28 4.651 -7.764 1.481 1.00 0.00 C ATOM 413 CG1 ILE A 28 3.441 -7.626 2.413 1.00 0.00 C ATOM 414 CG2 ILE A 28 4.947 -9.238 1.281 1.00 0.00 C ATOM 415 CD1 ILE A 28 2.824 -6.249 2.446 1.00 0.00 C ATOM 0 H ILE A 28 5.180 -5.232 1.128 1.00 0.00 H new ATOM 0 HA ILE A 28 5.990 -7.272 3.090 1.00 0.00 H new ATOM 0 HB ILE A 28 4.430 -7.325 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.680 -8.343 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.745 -7.897 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.062 -9.736 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.772 -9.351 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.220 -9.687 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.976 -6.247 3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.566 -5.526 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.484 -5.979 1.446 1.00 0.00 H new ATOM 427 N ASN A 29 7.113 -7.687 0.047 1.00 0.00 N ATOM 428 CA ASN A 29 8.324 -7.935 -0.740 1.00 0.00 C ATOM 429 C ASN A 29 8.740 -6.675 -1.451 1.00 0.00 C ATOM 430 O ASN A 29 9.079 -6.678 -2.633 1.00 0.00 O ATOM 431 CB ASN A 29 8.114 -9.090 -1.716 1.00 0.00 C ATOM 432 CG ASN A 29 8.194 -10.416 -0.996 1.00 0.00 C ATOM 433 OD1 ASN A 29 8.354 -11.473 -1.609 1.00 0.00 O ATOM 434 ND2 ASN A 29 8.147 -10.348 0.324 1.00 0.00 N ATOM 0 H ASN A 29 6.241 -7.802 -0.469 1.00 0.00 H new ATOM 0 HA ASN A 29 9.130 -8.228 -0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.143 -8.991 -2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.868 -9.051 -2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.245 -11.196 0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.013 -9.448 0.784 1.00 0.00 H new ATOM 441 N GLY A 30 8.707 -5.597 -0.700 1.00 0.00 N ATOM 442 CA GLY A 30 8.908 -4.280 -1.272 1.00 0.00 C ATOM 443 C GLY A 30 7.693 -3.831 -2.060 1.00 0.00 C ATOM 444 O GLY A 30 7.709 -2.789 -2.716 1.00 0.00 O ATOM 0 H GLY A 30 8.543 -5.604 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.114 -3.563 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.782 -4.293 -1.923 1.00 0.00 H new ATOM 448 N LYS A 31 6.634 -4.628 -1.986 1.00 0.00 N ATOM 449 CA LYS A 31 5.404 -4.352 -2.704 1.00 0.00 C ATOM 450 C LYS A 31 4.286 -4.024 -1.725 1.00 0.00 C ATOM 451 O LYS A 31 4.354 -4.393 -0.549 1.00 0.00 O ATOM 452 CB LYS A 31 5.032 -5.555 -3.585 1.00 0.00 C ATOM 453 CG LYS A 31 4.861 -6.876 -2.834 1.00 0.00 C ATOM 454 CD LYS A 31 3.472 -7.033 -2.219 1.00 0.00 C ATOM 455 CE LYS A 31 2.397 -7.243 -3.278 1.00 0.00 C ATOM 456 NZ LYS A 31 2.601 -8.500 -4.048 1.00 0.00 N ATOM 0 H LYS A 31 6.607 -5.481 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 31 5.551 -3.486 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.103 -5.329 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.804 -5.683 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.046 -7.704 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.611 -6.940 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.474 -7.879 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.234 -6.146 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.418 -7.268 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.395 -6.396 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.726 -8.742 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.373 -8.367 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.846 -9.271 -3.395 1.00 0.00 H new ATOM 470 N CYS A 32 3.261 -3.352 -2.218 1.00 0.00 N ATOM 471 CA CYS A 32 2.165 -2.905 -1.376 1.00 0.00 C ATOM 472 C CYS A 32 1.011 -3.896 -1.355 1.00 0.00 C ATOM 473 O CYS A 32 0.138 -3.861 -2.221 1.00 0.00 O ATOM 474 CB CYS A 32 1.656 -1.541 -1.842 1.00 0.00 C ATOM 475 SG CYS A 32 2.431 -0.140 -0.992 1.00 0.00 S ATOM 0 H CYS A 32 3.164 -3.103 -3.202 1.00 0.00 H new ATOM 0 HA CYS A 32 2.557 -2.827 -0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.831 -1.445 -2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.578 -1.495 -1.690 1.00 0.00 H new ATOM 480 N ASP A 33 1.029 -4.797 -0.383 1.00 0.00 N ATOM 481 CA ASP A 33 -0.136 -5.622 -0.096 1.00 0.00 C ATOM 482 C ASP A 33 -1.037 -4.870 0.871 1.00 0.00 C ATOM 483 O ASP A 33 -0.597 -4.463 1.950 1.00 0.00 O ATOM 484 CB ASP A 33 0.280 -6.955 0.515 1.00 0.00 C ATOM 485 CG ASP A 33 -0.885 -7.903 0.709 1.00 0.00 C ATOM 486 OD1 ASP A 33 -1.193 -8.668 -0.229 1.00 0.00 O ATOM 487 OD2 ASP A 33 -1.485 -7.900 1.803 1.00 0.00 O ATOM 0 H ASP A 33 1.834 -4.975 0.218 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.668 -5.828 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.023 -7.427 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.759 -6.774 1.477 1.00 0.00 H new ATOM 492 N CYS A 34 -2.287 -4.680 0.493 1.00 0.00 N ATOM 493 CA CYS A 34 -3.180 -3.826 1.258 1.00 0.00 C ATOM 494 C CYS A 34 -4.537 -4.484 1.435 1.00 0.00 C ATOM 495 O CYS A 34 -4.914 -5.361 0.658 1.00 0.00 O ATOM 496 CB CYS A 34 -3.362 -2.498 0.531 1.00 0.00 C ATOM 497 SG CYS A 34 -1.826 -1.788 -0.138 1.00 0.00 S ATOM 0 H CYS A 34 -2.707 -5.103 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.738 -3.660 2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.068 -2.640 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.810 -1.780 1.218 1.00 0.00 H new ATOM 502 N THR A 35 -5.277 -4.050 2.445 1.00 0.00 N ATOM 503 CA THR A 35 -6.622 -4.540 2.652 1.00 0.00 C ATOM 504 C THR A 35 -7.601 -3.563 2.022 1.00 0.00 C ATOM 505 O THR A 35 -7.516 -2.353 2.254 1.00 0.00 O ATOM 506 CB THR A 35 -6.949 -4.711 4.148 1.00 0.00 C ATOM 507 OG1 THR A 35 -5.951 -5.525 4.776 1.00 0.00 O ATOM 508 CG2 THR A 35 -8.319 -5.349 4.330 1.00 0.00 C ATOM 0 H THR A 35 -4.965 -3.361 3.130 1.00 0.00 H new ATOM 0 HA THR A 35 -6.705 -5.522 2.186 1.00 0.00 H new ATOM 0 HB THR A 35 -6.959 -3.725 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.164 -5.628 5.727 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.530 -5.461 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.079 -4.715 3.874 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.330 -6.329 3.853 1.00 0.00 H new ATOM 516 N PRO A 36 -8.513 -4.069 1.188 1.00 0.00 N ATOM 517 CA PRO A 36 -9.480 -3.238 0.487 1.00 0.00 C ATOM 518 C PRO A 36 -10.685 -2.895 1.355 1.00 0.00 C ATOM 519 O PRO A 36 -10.621 -2.961 2.585 1.00 0.00 O ATOM 520 CB PRO A 36 -9.878 -4.125 -0.690 1.00 0.00 C ATOM 521 CG PRO A 36 -9.790 -5.511 -0.156 1.00 0.00 C ATOM 522 CD PRO A 36 -8.678 -5.501 0.860 1.00 0.00 C ATOM 0 HA PRO A 36 -9.076 -2.269 0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.886 -3.896 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.209 -3.983 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.732 -5.812 0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.581 -6.223 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.937 -6.086 1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.761 -5.927 0.453 1.00 0.00 H new ATOM 530 N LYS A 37 -11.768 -2.513 0.707 1.00 0.00 N ATOM 531 CA LYS A 37 -12.996 -2.153 1.401 1.00 0.00 C ATOM 532 C LYS A 37 -13.693 -3.390 1.970 1.00 0.00 C ATOM 533 O LYS A 37 -13.637 -3.587 3.200 1.00 0.00 O ATOM 534 CB LYS A 37 -13.932 -1.352 0.476 1.00 0.00 C ATOM 535 CG LYS A 37 -13.692 -1.548 -1.025 1.00 0.00 C ATOM 536 CD LYS A 37 -14.094 -2.932 -1.516 1.00 0.00 C ATOM 537 CE LYS A 37 -15.602 -3.128 -1.474 1.00 0.00 C ATOM 538 NZ LYS A 37 -15.997 -4.482 -1.941 1.00 0.00 N ATOM 539 OXT LYS A 37 -14.266 -4.174 1.191 1.00 0.00 O ATOM 0 H LYS A 37 -11.825 -2.443 -0.309 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.734 -1.513 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.962 -1.627 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.827 -0.292 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.253 -0.795 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.637 -1.383 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.737 -3.074 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.611 -3.691 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.960 -2.976 -0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.084 -2.374 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.032 -4.576 -1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.678 -4.618 -2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.558 -5.201 -1.331 1.00 0.00 H new TER 553 LYS A 37