USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=9 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+ 151:sc= -0.209 (180deg=-0.388) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.17 K(o=-3.2,f=-4.7!) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0435) USER MOD Single : A 18 LYS NZ :NH3+ -133:sc= -0.0879 (180deg=-0.529) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= -0.0353 (180deg=-0.261) USER MOD Single : A 22 MET CE :methyl 164:sc= -0.265 (180deg=-1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.76) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc=-0.00413 (180deg=-0.161) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= -0.0187 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.426 -8.888 -3.966 1.00 0.00 N ATOM 2 CA VAL A 1 -5.148 -7.506 -3.512 1.00 0.00 C ATOM 3 C VAL A 1 -3.652 -7.238 -3.476 1.00 0.00 C ATOM 4 O VAL A 1 -2.851 -8.136 -3.737 1.00 0.00 O ATOM 5 CB VAL A 1 -5.753 -7.222 -2.124 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.260 -7.075 -2.230 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.388 -8.324 -1.140 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.317 -9.220 -3.544 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.508 -8.903 -5.003 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.649 -9.513 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.619 -6.838 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.338 -6.286 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -7.676 -6.875 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.499 -6.248 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -7.689 -7.996 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.826 -8.102 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.773 -9.277 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.304 -8.383 -1.045 1.00 0.00 H new ATOM 19 N GLY A 2 -3.275 -6.004 -3.156 1.00 0.00 N ATOM 20 CA GLY A 2 -1.882 -5.628 -3.215 1.00 0.00 C ATOM 21 C GLY A 2 -1.583 -4.929 -4.514 1.00 0.00 C ATOM 22 O GLY A 2 -2.086 -5.331 -5.563 1.00 0.00 O ATOM 0 H GLY A 2 -3.910 -5.263 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.639 -4.973 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.255 -6.514 -3.119 1.00 0.00 H new ATOM 26 N ILE A 3 -0.789 -3.880 -4.460 1.00 0.00 N ATOM 27 CA ILE A 3 -0.617 -3.025 -5.611 1.00 0.00 C ATOM 28 C ILE A 3 0.769 -3.170 -6.223 1.00 0.00 C ATOM 29 O ILE A 3 1.627 -3.890 -5.706 1.00 0.00 O ATOM 30 CB ILE A 3 -0.848 -1.566 -5.199 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.373 -1.035 -4.442 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.103 -1.491 -4.331 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.251 0.405 -4.028 1.00 0.00 C ATOM 0 H ILE A 3 -0.256 -3.602 -3.636 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.345 -3.325 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.989 -0.946 -6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.532 -1.646 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.256 -1.149 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.277 -0.457 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.960 -1.854 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.968 -2.108 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.153 0.709 -3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.123 1.028 -4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.612 0.523 -3.373 1.00 0.00 H new ATOM 45 N ASN A 4 0.970 -2.464 -7.321 1.00 0.00 N ATOM 46 CA ASN A 4 2.243 -2.458 -8.018 1.00 0.00 C ATOM 47 C ASN A 4 2.995 -1.193 -7.654 1.00 0.00 C ATOM 48 O ASN A 4 2.709 -0.110 -8.172 1.00 0.00 O ATOM 49 CB ASN A 4 2.036 -2.545 -9.536 1.00 0.00 C ATOM 50 CG ASN A 4 3.326 -2.370 -10.319 1.00 0.00 C ATOM 51 OD1 ASN A 4 3.671 -1.264 -10.737 1.00 0.00 O ATOM 52 ND2 ASN A 4 4.051 -3.457 -10.529 1.00 0.00 N ATOM 0 H ASN A 4 0.256 -1.879 -7.754 1.00 0.00 H new ATOM 0 HA ASN A 4 2.824 -3.329 -7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.595 -3.511 -9.783 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.323 -1.781 -9.845 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.925 -3.394 -11.051 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.736 -4.358 -10.169 1.00 0.00 H new ATOM 59 N VAL A 5 3.935 -1.327 -6.740 1.00 0.00 N ATOM 60 CA VAL A 5 4.647 -0.188 -6.209 1.00 0.00 C ATOM 61 C VAL A 5 5.920 -0.672 -5.520 1.00 0.00 C ATOM 62 O VAL A 5 6.176 -1.875 -5.469 1.00 0.00 O ATOM 63 CB VAL A 5 3.760 0.589 -5.199 1.00 0.00 C ATOM 64 CG1 VAL A 5 3.949 0.064 -3.799 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.025 2.087 -5.262 1.00 0.00 C ATOM 0 H VAL A 5 4.224 -2.223 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 5 4.903 0.486 -7.027 1.00 0.00 H new ATOM 0 HB VAL A 5 2.720 0.428 -5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.316 0.625 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.675 -0.990 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.993 0.177 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.387 2.600 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.071 2.282 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.807 2.453 -6.265 1.00 0.00 H new ATOM 75 N ASP A 6 6.698 0.256 -4.986 1.00 0.00 N ATOM 76 CA ASP A 6 7.918 -0.083 -4.265 1.00 0.00 C ATOM 77 C ASP A 6 7.902 0.594 -2.909 1.00 0.00 C ATOM 78 O ASP A 6 7.968 1.822 -2.821 1.00 0.00 O ATOM 79 CB ASP A 6 9.165 0.359 -5.034 1.00 0.00 C ATOM 80 CG ASP A 6 9.267 -0.252 -6.416 1.00 0.00 C ATOM 81 OD1 ASP A 6 8.656 0.290 -7.362 1.00 0.00 O ATOM 82 OD2 ASP A 6 9.954 -1.285 -6.565 1.00 0.00 O ATOM 0 H ASP A 6 6.506 1.256 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 6 7.955 -1.166 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.161 1.445 -5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.051 0.090 -4.460 1.00 0.00 H new ATOM 87 N CYS A 7 7.809 -0.194 -1.857 1.00 0.00 N ATOM 88 CA CYS A 7 7.734 0.366 -0.519 1.00 0.00 C ATOM 89 C CYS A 7 9.104 0.569 0.077 1.00 0.00 C ATOM 90 O CYS A 7 9.951 -0.327 0.070 1.00 0.00 O ATOM 91 CB CYS A 7 6.911 -0.508 0.425 1.00 0.00 C ATOM 92 SG CYS A 7 7.398 -2.264 0.458 1.00 0.00 S ATOM 0 H CYS A 7 7.784 -1.213 -1.899 1.00 0.00 H new ATOM 0 HA CYS A 7 7.240 1.331 -0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.991 -0.104 1.434 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.862 -0.442 0.137 1.00 0.00 H new ATOM 97 N LYS A 8 9.321 1.765 0.581 1.00 0.00 N ATOM 98 CA LYS A 8 10.472 2.035 1.408 1.00 0.00 C ATOM 99 C LYS A 8 10.107 1.697 2.846 1.00 0.00 C ATOM 100 O LYS A 8 10.970 1.576 3.712 1.00 0.00 O ATOM 101 CB LYS A 8 10.884 3.501 1.283 1.00 0.00 C ATOM 102 CG LYS A 8 11.024 3.973 -0.156 1.00 0.00 C ATOM 103 CD LYS A 8 12.100 3.201 -0.902 1.00 0.00 C ATOM 104 CE LYS A 8 12.217 3.666 -2.343 1.00 0.00 C ATOM 105 NZ LYS A 8 13.287 2.940 -3.072 1.00 0.00 N ATOM 0 H LYS A 8 8.710 2.568 0.430 1.00 0.00 H new ATOM 0 HA LYS A 8 11.319 1.428 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.145 4.122 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.833 3.648 1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.070 3.857 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.265 5.036 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.058 3.329 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.868 2.136 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.265 3.516 -2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.425 4.736 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.336 3.286 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.200 3.103 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.076 1.922 -3.074 1.00 0.00 H new ATOM 119 N HIS A 9 8.797 1.553 3.074 1.00 0.00 N ATOM 120 CA HIS A 9 8.240 1.188 4.378 1.00 0.00 C ATOM 121 C HIS A 9 6.719 1.151 4.289 1.00 0.00 C ATOM 122 O HIS A 9 6.152 1.784 3.403 1.00 0.00 O ATOM 123 CB HIS A 9 8.689 2.153 5.492 1.00 0.00 C ATOM 124 CG HIS A 9 8.505 3.604 5.171 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.425 4.332 4.450 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.495 4.458 5.454 1.00 0.00 C ATOM 127 CE1 HIS A 9 8.985 5.562 4.295 1.00 0.00 C ATOM 128 NE2 HIS A 9 7.818 5.668 4.898 1.00 0.00 N ATOM 0 H HIS A 9 8.089 1.688 2.352 1.00 0.00 H new ATOM 0 HA HIS A 9 8.619 0.200 4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.133 1.922 6.401 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.742 1.973 5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.600 4.229 6.014 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.494 6.352 3.763 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.248 6.513 4.943 1.00 0.00 H new ATOM 137 N SER A 10 6.061 0.436 5.192 1.00 0.00 N ATOM 138 CA SER A 10 4.608 0.268 5.123 1.00 0.00 C ATOM 139 C SER A 10 3.881 1.616 5.157 1.00 0.00 C ATOM 140 O SER A 10 2.860 1.803 4.491 1.00 0.00 O ATOM 141 CB SER A 10 4.132 -0.621 6.274 1.00 0.00 C ATOM 142 OG SER A 10 4.602 -0.136 7.522 1.00 0.00 O ATOM 0 H SER A 10 6.504 -0.037 5.979 1.00 0.00 H new ATOM 0 HA SER A 10 4.369 -0.210 4.173 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.043 -0.659 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.485 -1.641 6.120 1.00 0.00 H new ATOM 0 HG SER A 10 4.283 -0.720 8.241 1.00 0.00 H new ATOM 148 N GLY A 11 4.431 2.555 5.919 1.00 0.00 N ATOM 149 CA GLY A 11 3.811 3.859 6.077 1.00 0.00 C ATOM 150 C GLY A 11 3.624 4.608 4.767 1.00 0.00 C ATOM 151 O GLY A 11 2.656 5.348 4.612 1.00 0.00 O ATOM 0 H GLY A 11 5.303 2.435 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.840 3.734 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.422 4.464 6.747 1.00 0.00 H new ATOM 155 N GLN A 12 4.531 4.417 3.814 1.00 0.00 N ATOM 156 CA GLN A 12 4.443 5.147 2.550 1.00 0.00 C ATOM 157 C GLN A 12 3.633 4.374 1.515 1.00 0.00 C ATOM 158 O GLN A 12 3.552 4.770 0.352 1.00 0.00 O ATOM 159 CB GLN A 12 5.837 5.523 2.016 1.00 0.00 C ATOM 160 CG GLN A 12 6.800 4.359 1.820 1.00 0.00 C ATOM 161 CD GLN A 12 6.602 3.619 0.512 1.00 0.00 C ATOM 162 OE1 GLN A 12 5.873 2.637 0.446 1.00 0.00 O ATOM 163 NE2 GLN A 12 7.262 4.084 -0.537 1.00 0.00 N ATOM 0 H GLN A 12 5.321 3.776 3.887 1.00 0.00 H new ATOM 0 HA GLN A 12 3.912 6.078 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.715 6.036 1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.291 6.235 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.823 4.733 1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.681 3.658 2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.859 4.905 -0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.173 3.621 -1.442 1.00 0.00 H new ATOM 172 N CYS A 13 3.016 3.282 1.944 1.00 0.00 N ATOM 173 CA CYS A 13 2.159 2.503 1.065 1.00 0.00 C ATOM 174 C CYS A 13 0.778 3.129 0.992 1.00 0.00 C ATOM 175 O CYS A 13 0.005 2.836 0.089 1.00 0.00 O ATOM 176 CB CYS A 13 2.033 1.062 1.560 1.00 0.00 C ATOM 177 SG CYS A 13 3.534 0.053 1.361 1.00 0.00 S ATOM 0 H CYS A 13 3.093 2.917 2.893 1.00 0.00 H new ATOM 0 HA CYS A 13 2.612 2.497 0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.760 1.078 2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.214 0.579 1.026 1.00 0.00 H new ATOM 182 N LEU A 14 0.498 4.019 1.935 1.00 0.00 N ATOM 183 CA LEU A 14 -0.835 4.575 2.111 1.00 0.00 C ATOM 184 C LEU A 14 -1.312 5.329 0.875 1.00 0.00 C ATOM 185 O LEU A 14 -2.356 5.008 0.312 1.00 0.00 O ATOM 186 CB LEU A 14 -0.842 5.504 3.318 1.00 0.00 C ATOM 187 CG LEU A 14 -0.492 4.838 4.649 1.00 0.00 C ATOM 188 CD1 LEU A 14 -0.653 5.821 5.793 1.00 0.00 C ATOM 189 CD2 LEU A 14 -1.341 3.597 4.877 1.00 0.00 C ATOM 0 H LEU A 14 1.187 4.374 2.597 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.523 3.745 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.136 6.314 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.830 5.956 3.404 1.00 0.00 H new ATOM 0 HG LEU A 14 0.551 4.525 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.400 5.330 6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.010 6.672 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.685 6.168 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.072 3.142 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.395 3.875 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.165 2.883 4.072 1.00 0.00 H new ATOM 201 N LYS A 15 -0.535 6.317 0.456 1.00 0.00 N ATOM 202 CA LYS A 15 -0.902 7.162 -0.663 1.00 0.00 C ATOM 203 C LYS A 15 -1.156 6.356 -1.950 1.00 0.00 C ATOM 204 O LYS A 15 -2.229 6.482 -2.546 1.00 0.00 O ATOM 205 CB LYS A 15 0.169 8.239 -0.871 1.00 0.00 C ATOM 206 CG LYS A 15 0.109 8.901 -2.231 1.00 0.00 C ATOM 207 CD LYS A 15 1.049 10.096 -2.328 1.00 0.00 C ATOM 208 CE LYS A 15 2.512 9.685 -2.245 1.00 0.00 C ATOM 209 NZ LYS A 15 2.956 8.932 -3.448 1.00 0.00 N ATOM 0 H LYS A 15 0.362 6.552 0.881 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.848 7.648 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.059 9.002 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.154 7.791 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.368 8.173 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.912 9.226 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.873 10.619 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.825 10.799 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.131 10.575 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.665 9.071 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.986 8.792 -3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.481 8.007 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.712 9.470 -4.304 1.00 0.00 H new ATOM 223 N PRO A 16 -0.205 5.509 -2.408 1.00 0.00 N ATOM 224 CA PRO A 16 -0.407 4.729 -3.631 1.00 0.00 C ATOM 225 C PRO A 16 -1.496 3.673 -3.478 1.00 0.00 C ATOM 226 O PRO A 16 -2.151 3.303 -4.451 1.00 0.00 O ATOM 227 CB PRO A 16 0.953 4.074 -3.886 1.00 0.00 C ATOM 228 CG PRO A 16 1.626 4.048 -2.559 1.00 0.00 C ATOM 229 CD PRO A 16 1.122 5.253 -1.810 1.00 0.00 C ATOM 0 HA PRO A 16 -0.741 5.359 -4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.837 3.068 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.534 4.643 -4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.392 3.129 -2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.710 4.084 -2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.048 5.057 -0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.788 6.107 -1.932 1.00 0.00 H new ATOM 237 N CYS A 17 -1.698 3.204 -2.255 1.00 0.00 N ATOM 238 CA CYS A 17 -2.710 2.193 -1.980 1.00 0.00 C ATOM 239 C CYS A 17 -4.101 2.806 -2.060 1.00 0.00 C ATOM 240 O CYS A 17 -5.060 2.163 -2.495 1.00 0.00 O ATOM 241 CB CYS A 17 -2.482 1.583 -0.598 1.00 0.00 C ATOM 242 SG CYS A 17 -3.600 0.214 -0.189 1.00 0.00 S ATOM 0 H CYS A 17 -1.173 3.508 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.631 1.405 -2.729 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.454 1.227 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.594 2.364 0.154 1.00 0.00 H new ATOM 247 N LYS A 18 -4.198 4.066 -1.659 1.00 0.00 N ATOM 248 CA LYS A 18 -5.456 4.777 -1.690 1.00 0.00 C ATOM 249 C LYS A 18 -5.822 5.120 -3.126 1.00 0.00 C ATOM 250 O LYS A 18 -6.986 5.031 -3.523 1.00 0.00 O ATOM 251 CB LYS A 18 -5.342 6.035 -0.843 1.00 0.00 C ATOM 252 CG LYS A 18 -6.571 6.919 -0.883 1.00 0.00 C ATOM 253 CD LYS A 18 -6.404 8.111 0.036 1.00 0.00 C ATOM 254 CE LYS A 18 -6.495 7.710 1.501 1.00 0.00 C ATOM 255 NZ LYS A 18 -7.811 7.102 1.832 1.00 0.00 N ATOM 0 H LYS A 18 -3.413 4.614 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.246 4.148 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.147 5.748 0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.481 6.612 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.745 7.262 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.448 6.344 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.440 8.584 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.171 8.852 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.700 7.001 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.333 8.587 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.181 7.529 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.478 7.273 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.695 6.078 1.970 1.00 0.00 H new ATOM 269 N LYS A 19 -4.814 5.496 -3.902 1.00 0.00 N ATOM 270 CA LYS A 19 -5.001 5.773 -5.316 1.00 0.00 C ATOM 271 C LYS A 19 -5.305 4.479 -6.063 1.00 0.00 C ATOM 272 O LYS A 19 -5.997 4.481 -7.083 1.00 0.00 O ATOM 273 CB LYS A 19 -3.752 6.448 -5.888 1.00 0.00 C ATOM 274 CG LYS A 19 -3.885 6.855 -7.348 1.00 0.00 C ATOM 275 CD LYS A 19 -2.664 7.622 -7.834 1.00 0.00 C ATOM 276 CE LYS A 19 -2.527 8.970 -7.139 1.00 0.00 C ATOM 277 NZ LYS A 19 -3.700 9.853 -7.383 1.00 0.00 N ATOM 0 H LYS A 19 -3.856 5.616 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.845 6.451 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.525 7.333 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.905 5.769 -5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.024 5.965 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.775 7.471 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.767 7.028 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.736 7.774 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.410 8.813 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.622 9.467 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.467 10.826 -7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.943 9.836 -8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.511 9.515 -6.826 1.00 0.00 H new ATOM 291 N ALA A 20 -4.790 3.372 -5.541 1.00 0.00 N ATOM 292 CA ALA A 20 -5.082 2.061 -6.092 1.00 0.00 C ATOM 293 C ALA A 20 -6.543 1.713 -5.853 1.00 0.00 C ATOM 294 O ALA A 20 -7.233 1.219 -6.745 1.00 0.00 O ATOM 295 CB ALA A 20 -4.174 1.007 -5.474 1.00 0.00 C ATOM 0 H ALA A 20 -4.166 3.360 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.896 2.082 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.408 0.031 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.134 1.255 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.330 0.980 -4.396 1.00 0.00 H new ATOM 301 N GLY A 21 -7.013 1.994 -4.645 1.00 0.00 N ATOM 302 CA GLY A 21 -8.408 1.778 -4.323 1.00 0.00 C ATOM 303 C GLY A 21 -8.601 0.910 -3.097 1.00 0.00 C ATOM 304 O GLY A 21 -9.699 0.413 -2.847 1.00 0.00 O ATOM 0 H GLY A 21 -6.451 2.369 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.892 2.741 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.904 1.312 -5.174 1.00 0.00 H new ATOM 308 N MET A 22 -7.541 0.728 -2.323 1.00 0.00 N ATOM 309 CA MET A 22 -7.608 -0.120 -1.143 1.00 0.00 C ATOM 310 C MET A 22 -7.371 0.698 0.119 1.00 0.00 C ATOM 311 O MET A 22 -7.186 1.914 0.041 1.00 0.00 O ATOM 312 CB MET A 22 -6.616 -1.278 -1.260 1.00 0.00 C ATOM 313 CG MET A 22 -6.865 -2.132 -2.493 1.00 0.00 C ATOM 314 SD MET A 22 -5.693 -3.492 -2.678 1.00 0.00 S ATOM 315 CE MET A 22 -6.108 -4.049 -4.330 1.00 0.00 C ATOM 0 H MET A 22 -6.629 1.154 -2.490 1.00 0.00 H new ATOM 0 HA MET A 22 -8.608 -0.547 -1.074 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.601 -0.881 -1.295 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.684 -1.902 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.875 -2.538 -2.446 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.817 -1.499 -3.379 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.308 -4.684 -4.712 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.038 -4.616 -4.300 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.230 -3.186 -4.985 1.00 0.00 H new ATOM 325 N ARG A 23 -7.385 0.057 1.279 1.00 0.00 N ATOM 326 CA ARG A 23 -7.372 0.804 2.533 1.00 0.00 C ATOM 327 C ARG A 23 -5.955 1.011 3.062 1.00 0.00 C ATOM 328 O ARG A 23 -5.374 2.085 2.897 1.00 0.00 O ATOM 329 CB ARG A 23 -8.257 0.118 3.580 1.00 0.00 C ATOM 330 CG ARG A 23 -9.717 0.067 3.170 1.00 0.00 C ATOM 331 CD ARG A 23 -10.639 -0.182 4.350 1.00 0.00 C ATOM 332 NE ARG A 23 -10.637 -1.577 4.771 1.00 0.00 N ATOM 333 CZ ARG A 23 -11.125 -2.003 5.933 1.00 0.00 C ATOM 334 NH1 ARG A 23 -11.665 -1.141 6.787 1.00 0.00 N ATOM 335 NH2 ARG A 23 -11.074 -3.291 6.233 1.00 0.00 N ATOM 0 H ARG A 23 -7.405 -0.958 1.381 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.783 1.793 2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.895 -0.897 3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.168 0.648 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.990 1.007 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.857 -0.721 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.333 0.447 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.654 0.113 4.083 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.237 -2.269 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.706 -0.149 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.038 -1.471 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.662 -3.952 5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.447 -3.623 7.123 1.00 0.00 H new ATOM 349 N PHE A 24 -5.403 -0.014 3.683 1.00 0.00 N ATOM 350 CA PHE A 24 -4.094 0.088 4.315 1.00 0.00 C ATOM 351 C PHE A 24 -3.068 -0.665 3.493 1.00 0.00 C ATOM 352 O PHE A 24 -3.420 -1.566 2.733 1.00 0.00 O ATOM 353 CB PHE A 24 -4.131 -0.488 5.731 1.00 0.00 C ATOM 354 CG PHE A 24 -5.515 -0.784 6.215 1.00 0.00 C ATOM 355 CD1 PHE A 24 -6.138 -1.932 5.796 1.00 0.00 C ATOM 356 CD2 PHE A 24 -6.190 0.079 7.061 1.00 0.00 C ATOM 357 CE1 PHE A 24 -7.415 -2.235 6.201 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.473 -0.216 7.479 1.00 0.00 C ATOM 359 CZ PHE A 24 -8.088 -1.375 7.048 1.00 0.00 C ATOM 0 H PHE A 24 -5.840 -0.932 3.765 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.820 1.142 4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.541 -1.404 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.658 0.217 6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.616 -2.609 5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.711 0.987 7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.891 -3.142 5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.994 0.459 8.142 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.092 -1.609 7.372 1.00 0.00 H new ATOM 369 N GLY A 25 -1.806 -0.322 3.677 1.00 0.00 N ATOM 370 CA GLY A 25 -0.755 -0.917 2.882 1.00 0.00 C ATOM 371 C GLY A 25 0.402 -1.400 3.728 1.00 0.00 C ATOM 372 O GLY A 25 0.830 -0.717 4.660 1.00 0.00 O ATOM 0 H GLY A 25 -1.489 0.361 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.162 -1.754 2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.393 -0.187 2.158 1.00 0.00 H new ATOM 376 N LYS A 26 0.900 -2.579 3.406 1.00 0.00 N ATOM 377 CA LYS A 26 2.012 -3.175 4.125 1.00 0.00 C ATOM 378 C LYS A 26 3.185 -3.350 3.171 1.00 0.00 C ATOM 379 O LYS A 26 2.989 -3.469 1.960 1.00 0.00 O ATOM 380 CB LYS A 26 1.580 -4.524 4.707 1.00 0.00 C ATOM 381 CG LYS A 26 2.569 -5.142 5.683 1.00 0.00 C ATOM 382 CD LYS A 26 1.938 -6.281 6.474 1.00 0.00 C ATOM 383 CE LYS A 26 1.463 -7.417 5.578 1.00 0.00 C ATOM 384 NZ LYS A 26 2.589 -8.250 5.074 1.00 0.00 N ATOM 0 H LYS A 26 0.546 -3.151 2.639 1.00 0.00 H new ATOM 0 HA LYS A 26 2.319 -2.527 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.623 -4.396 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.416 -5.222 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.436 -5.514 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.929 -4.377 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.663 -6.666 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.094 -5.897 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.768 -8.047 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.913 -7.004 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.216 -9.009 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.240 -7.656 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.099 -8.667 5.878 1.00 0.00 H new ATOM 398 N CYS A 27 4.393 -3.369 3.705 1.00 0.00 N ATOM 399 CA CYS A 27 5.582 -3.462 2.872 1.00 0.00 C ATOM 400 C CYS A 27 6.054 -4.903 2.784 1.00 0.00 C ATOM 401 O CYS A 27 6.566 -5.467 3.750 1.00 0.00 O ATOM 402 CB CYS A 27 6.705 -2.573 3.409 1.00 0.00 C ATOM 403 SG CYS A 27 8.172 -2.503 2.323 1.00 0.00 S ATOM 0 H CYS A 27 4.578 -3.322 4.707 1.00 0.00 H new ATOM 0 HA CYS A 27 5.320 -3.112 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.320 -1.563 3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.008 -2.939 4.390 1.00 0.00 H new ATOM 408 N ILE A 28 5.853 -5.498 1.624 1.00 0.00 N ATOM 409 CA ILE A 28 6.246 -6.862 1.371 1.00 0.00 C ATOM 410 C ILE A 28 7.638 -6.814 0.720 1.00 0.00 C ATOM 411 O ILE A 28 8.254 -5.747 0.735 1.00 0.00 O ATOM 412 CB ILE A 28 5.115 -7.557 0.526 1.00 0.00 C ATOM 413 CG1 ILE A 28 3.940 -7.895 1.440 1.00 0.00 C ATOM 414 CG2 ILE A 28 5.542 -8.818 -0.203 1.00 0.00 C ATOM 415 CD1 ILE A 28 3.205 -6.693 1.961 1.00 0.00 C ATOM 0 H ILE A 28 5.409 -5.041 0.828 1.00 0.00 H new ATOM 0 HA ILE A 28 6.344 -7.474 2.268 1.00 0.00 H new ATOM 0 HB ILE A 28 4.844 -6.837 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.240 -8.528 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.306 -8.478 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.695 -9.223 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.349 -8.582 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.889 -9.556 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.385 -7.017 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.889 -6.069 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.806 -6.119 1.124 1.00 0.00 H new ATOM 427 N ASN A 29 8.145 -7.932 0.201 1.00 0.00 N ATOM 428 CA ASN A 29 9.512 -8.003 -0.344 1.00 0.00 C ATOM 429 C ASN A 29 9.889 -6.746 -1.125 1.00 0.00 C ATOM 430 O ASN A 29 10.993 -6.225 -0.974 1.00 0.00 O ATOM 431 CB ASN A 29 9.710 -9.251 -1.224 1.00 0.00 C ATOM 432 CG ASN A 29 8.806 -9.285 -2.443 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.139 -8.739 -3.495 1.00 0.00 O ATOM 434 ND2 ASN A 29 7.669 -9.946 -2.321 1.00 0.00 N ATOM 0 H ASN A 29 7.630 -8.810 0.144 1.00 0.00 H new ATOM 0 HA ASN A 29 10.178 -8.076 0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.749 -9.293 -1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.529 -10.142 -0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.033 -10.017 -3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.427 -10.386 -1.433 1.00 0.00 H new ATOM 441 N GLY A 30 8.974 -6.255 -1.942 1.00 0.00 N ATOM 442 CA GLY A 30 9.190 -4.985 -2.596 1.00 0.00 C ATOM 443 C GLY A 30 7.894 -4.278 -2.918 1.00 0.00 C ATOM 444 O GLY A 30 7.902 -3.195 -3.500 1.00 0.00 O ATOM 0 H GLY A 30 8.089 -6.711 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.799 -4.348 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.753 -5.144 -3.516 1.00 0.00 H new ATOM 448 N LYS A 31 6.775 -4.870 -2.522 1.00 0.00 N ATOM 449 CA LYS A 31 5.483 -4.390 -2.977 1.00 0.00 C ATOM 450 C LYS A 31 4.580 -4.005 -1.812 1.00 0.00 C ATOM 451 O LYS A 31 4.698 -4.546 -0.713 1.00 0.00 O ATOM 452 CB LYS A 31 4.830 -5.457 -3.864 1.00 0.00 C ATOM 453 CG LYS A 31 4.443 -6.747 -3.144 1.00 0.00 C ATOM 454 CD LYS A 31 3.028 -6.692 -2.585 1.00 0.00 C ATOM 455 CE LYS A 31 1.978 -6.701 -3.689 1.00 0.00 C ATOM 456 NZ LYS A 31 1.950 -7.992 -4.427 1.00 0.00 N ATOM 0 H LYS A 31 6.738 -5.673 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 31 5.633 -3.483 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.936 -5.031 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.516 -5.703 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.526 -7.586 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.146 -6.932 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.866 -7.543 -1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.911 -5.792 -1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.996 -6.511 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.181 -5.889 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.082 -8.047 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.780 -8.053 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.968 -8.780 -3.749 1.00 0.00 H new ATOM 470 N CYS A 32 3.680 -3.069 -2.068 1.00 0.00 N ATOM 471 CA CYS A 32 2.704 -2.646 -1.075 1.00 0.00 C ATOM 472 C CYS A 32 1.424 -3.464 -1.202 1.00 0.00 C ATOM 473 O CYS A 32 0.545 -3.150 -2.006 1.00 0.00 O ATOM 474 CB CYS A 32 2.403 -1.149 -1.224 1.00 0.00 C ATOM 475 SG CYS A 32 3.758 -0.062 -0.652 1.00 0.00 S ATOM 0 H CYS A 32 3.605 -2.584 -2.962 1.00 0.00 H new ATOM 0 HA CYS A 32 3.124 -2.817 -0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.194 -0.933 -2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.499 -0.912 -0.663 1.00 0.00 H new ATOM 480 N ASP A 33 1.349 -4.542 -0.437 1.00 0.00 N ATOM 481 CA ASP A 33 0.147 -5.355 -0.381 1.00 0.00 C ATOM 482 C ASP A 33 -0.862 -4.710 0.556 1.00 0.00 C ATOM 483 O ASP A 33 -0.508 -4.253 1.644 1.00 0.00 O ATOM 484 CB ASP A 33 0.473 -6.783 0.061 1.00 0.00 C ATOM 485 CG ASP A 33 -0.768 -7.620 0.298 1.00 0.00 C ATOM 486 OD1 ASP A 33 -1.493 -7.906 -0.676 1.00 0.00 O ATOM 487 OD2 ASP A 33 -1.031 -7.980 1.463 1.00 0.00 O ATOM 0 H ASP A 33 2.110 -4.874 0.155 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.287 -5.413 -1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.090 -7.262 -0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.064 -6.750 0.976 1.00 0.00 H new ATOM 492 N CYS A 34 -2.111 -4.673 0.133 1.00 0.00 N ATOM 493 CA CYS A 34 -3.122 -3.890 0.822 1.00 0.00 C ATOM 494 C CYS A 34 -4.309 -4.734 1.243 1.00 0.00 C ATOM 495 O CYS A 34 -4.566 -5.795 0.673 1.00 0.00 O ATOM 496 CB CYS A 34 -3.625 -2.777 -0.091 1.00 0.00 C ATOM 497 SG CYS A 34 -2.439 -1.436 -0.395 1.00 0.00 S ATOM 0 H CYS A 34 -2.452 -5.177 -0.686 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.653 -3.479 1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.909 -3.214 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.528 -2.350 0.345 1.00 0.00 H new ATOM 502 N THR A 35 -5.033 -4.252 2.241 1.00 0.00 N ATOM 503 CA THR A 35 -6.304 -4.828 2.604 1.00 0.00 C ATOM 504 C THR A 35 -7.400 -3.918 2.071 1.00 0.00 C ATOM 505 O THR A 35 -7.366 -2.704 2.290 1.00 0.00 O ATOM 506 CB THR A 35 -6.445 -4.980 4.129 1.00 0.00 C ATOM 507 OG1 THR A 35 -5.391 -5.806 4.640 1.00 0.00 O ATOM 508 CG2 THR A 35 -7.794 -5.587 4.489 1.00 0.00 C ATOM 0 H THR A 35 -4.753 -3.456 2.814 1.00 0.00 H new ATOM 0 HA THR A 35 -6.381 -5.826 2.173 1.00 0.00 H new ATOM 0 HB THR A 35 -6.378 -3.989 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.487 -5.896 5.611 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.872 -5.685 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.593 -4.941 4.125 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.885 -6.571 4.028 1.00 0.00 H new ATOM 516 N PRO A 36 -8.365 -4.478 1.342 1.00 0.00 N ATOM 517 CA PRO A 36 -9.411 -3.697 0.707 1.00 0.00 C ATOM 518 C PRO A 36 -10.553 -3.383 1.662 1.00 0.00 C ATOM 519 O PRO A 36 -10.404 -3.497 2.880 1.00 0.00 O ATOM 520 CB PRO A 36 -9.870 -4.624 -0.410 1.00 0.00 C ATOM 521 CG PRO A 36 -9.732 -5.984 0.173 1.00 0.00 C ATOM 522 CD PRO A 36 -8.532 -5.923 1.088 1.00 0.00 C ATOM 0 HA PRO A 36 -9.067 -2.721 0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.900 -4.418 -0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.256 -4.508 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.629 -6.265 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.590 -6.731 -0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.703 -6.476 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.647 -6.353 0.619 1.00 0.00 H new ATOM 530 N LYS A 37 -11.675 -2.981 1.100 1.00 0.00 N ATOM 531 CA LYS A 37 -12.854 -2.649 1.889 1.00 0.00 C ATOM 532 C LYS A 37 -13.476 -3.916 2.461 1.00 0.00 C ATOM 533 O LYS A 37 -13.397 -4.121 3.687 1.00 0.00 O ATOM 534 CB LYS A 37 -13.894 -1.912 1.041 1.00 0.00 C ATOM 535 CG LYS A 37 -13.355 -0.711 0.282 1.00 0.00 C ATOM 536 CD LYS A 37 -12.658 0.277 1.199 1.00 0.00 C ATOM 537 CE LYS A 37 -12.319 1.569 0.471 1.00 0.00 C ATOM 538 NZ LYS A 37 -11.525 1.326 -0.764 1.00 0.00 N ATOM 539 OXT LYS A 37 -14.036 -4.704 1.673 1.00 0.00 O ATOM 0 H LYS A 37 -11.800 -2.874 0.093 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.539 -1.995 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.324 -2.614 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.705 -1.581 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.657 -1.050 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.175 -0.211 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.298 0.497 2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.745 -0.171 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.240 2.091 0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.759 2.224 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.188 2.233 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.710 0.720 -0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.122 0.854 -1.473 1.00 0.00 H new TER 553 LYS A 37