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+ 139:sc= -0.288 (180deg=-0.424) USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.258 K(o=-0.26,f=-2!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00275 USER MOD Single : A 12 GLN : amide:sc= -3.42 K(o=-3.4,f=-4.1!) USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= -1.95! (180deg=-4.09!) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= -1.6! (180deg=-2.37!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 166:sc= -1.83 (180deg=-3.58) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc=-0.00828 (180deg=-0.144) USER MOD Single : A 29 ASN : amide:sc= -3.48! K(o=-3.5!,f=-0.85) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= -0.0238 (180deg=-0.282) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.034 -8.277 -3.603 1.00 0.00 N ATOM 2 CA VAL A 1 -5.437 -6.922 -3.552 1.00 0.00 C ATOM 3 C VAL A 1 -3.915 -6.987 -3.551 1.00 0.00 C ATOM 4 O VAL A 1 -3.326 -8.068 -3.586 1.00 0.00 O ATOM 5 CB VAL A 1 -5.897 -6.139 -2.308 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.374 -5.801 -2.400 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.606 -6.930 -1.043 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.852 -8.320 -2.963 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.343 -8.484 -4.574 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.326 -8.980 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.781 -6.403 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.337 -5.205 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -7.677 -5.248 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.553 -5.191 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -7.954 -6.721 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.938 -6.362 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.137 -7.881 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.534 -7.115 -0.968 1.00 0.00 H new ATOM 19 N GLY A 2 -3.287 -5.820 -3.500 1.00 0.00 N ATOM 20 CA GLY A 2 -1.839 -5.745 -3.499 1.00 0.00 C ATOM 21 C GLY A 2 -1.300 -5.228 -4.817 1.00 0.00 C ATOM 22 O GLY A 2 -1.443 -5.885 -5.848 1.00 0.00 O ATOM 0 H GLY A 2 -3.759 -4.917 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.510 -5.092 -2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.424 -6.733 -3.300 1.00 0.00 H new ATOM 26 N ILE A 3 -0.679 -4.057 -4.791 1.00 0.00 N ATOM 27 CA ILE A 3 -0.252 -3.401 -6.016 1.00 0.00 C ATOM 28 C ILE A 3 1.237 -3.611 -6.262 1.00 0.00 C ATOM 29 O ILE A 3 1.932 -4.249 -5.465 1.00 0.00 O ATOM 30 CB ILE A 3 -0.523 -1.886 -5.942 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.532 -1.216 -5.061 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.922 -1.636 -5.397 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.397 0.282 -4.960 1.00 0.00 C ATOM 0 H ILE A 3 -0.461 -3.544 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.821 -3.843 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.463 -1.456 -6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.476 -1.642 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.521 -1.454 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.107 -0.563 -5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.657 -2.101 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.006 -2.065 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.184 0.676 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.485 0.723 -5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.576 0.532 -4.537 1.00 0.00 H new ATOM 45 N ASN A 4 1.715 -3.047 -7.357 1.00 0.00 N ATOM 46 CA ASN A 4 3.128 -3.081 -7.689 1.00 0.00 C ATOM 47 C ASN A 4 3.715 -1.695 -7.493 1.00 0.00 C ATOM 48 O ASN A 4 3.300 -0.740 -8.148 1.00 0.00 O ATOM 49 CB ASN A 4 3.344 -3.541 -9.132 1.00 0.00 C ATOM 50 CG ASN A 4 4.811 -3.556 -9.509 1.00 0.00 C ATOM 51 OD1 ASN A 4 5.680 -3.778 -8.665 1.00 0.00 O ATOM 52 ND2 ASN A 4 5.099 -3.320 -10.776 1.00 0.00 N ATOM 0 H ASN A 4 1.137 -2.555 -8.038 1.00 0.00 H new ATOM 0 HA ASN A 4 3.627 -3.794 -7.033 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.926 -4.540 -9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.803 -2.880 -9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.071 -3.317 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.350 -3.140 -11.444 1.00 0.00 H new ATOM 59 N VAL A 5 4.673 -1.586 -6.593 1.00 0.00 N ATOM 60 CA VAL A 5 5.208 -0.295 -6.202 1.00 0.00 C ATOM 61 C VAL A 5 6.491 -0.509 -5.402 1.00 0.00 C ATOM 62 O VAL A 5 6.961 -1.640 -5.272 1.00 0.00 O ATOM 63 CB VAL A 5 4.159 0.476 -5.356 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.193 0.021 -3.912 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.336 1.986 -5.463 1.00 0.00 C ATOM 0 H VAL A 5 5.099 -2.381 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 5 5.435 0.297 -7.089 1.00 0.00 H new ATOM 0 HB VAL A 5 3.176 0.242 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.450 0.575 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.970 -1.045 -3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.183 0.205 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.581 2.485 -4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.329 2.262 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.225 2.293 -6.503 1.00 0.00 H new ATOM 75 N ASP A 6 7.059 0.558 -4.878 1.00 0.00 N ATOM 76 CA ASP A 6 8.261 0.456 -4.072 1.00 0.00 C ATOM 77 C ASP A 6 8.062 1.146 -2.737 1.00 0.00 C ATOM 78 O ASP A 6 7.906 2.365 -2.656 1.00 0.00 O ATOM 79 CB ASP A 6 9.478 1.027 -4.801 1.00 0.00 C ATOM 80 CG ASP A 6 9.337 2.490 -5.171 1.00 0.00 C ATOM 81 OD1 ASP A 6 8.649 2.791 -6.169 1.00 0.00 O ATOM 82 OD2 ASP A 6 9.903 3.347 -4.456 1.00 0.00 O ATOM 0 H ASP A 6 6.708 1.508 -4.996 1.00 0.00 H new ATOM 0 HA ASP A 6 8.454 -0.602 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.359 0.904 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.652 0.447 -5.708 1.00 0.00 H new ATOM 87 N CYS A 7 8.011 0.346 -1.698 1.00 0.00 N ATOM 88 CA CYS A 7 7.852 0.861 -0.356 1.00 0.00 C ATOM 89 C CYS A 7 9.189 1.077 0.316 1.00 0.00 C ATOM 90 O CYS A 7 10.035 0.182 0.357 1.00 0.00 O ATOM 91 CB CYS A 7 7.006 -0.078 0.497 1.00 0.00 C ATOM 92 SG CYS A 7 7.459 -1.834 0.341 1.00 0.00 S ATOM 0 H CYS A 7 8.078 -0.670 -1.756 1.00 0.00 H new ATOM 0 HA CYS A 7 7.343 1.821 -0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.096 0.218 1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.958 0.042 0.221 1.00 0.00 H new ATOM 97 N LYS A 8 9.382 2.275 0.828 1.00 0.00 N ATOM 98 CA LYS A 8 10.457 2.526 1.760 1.00 0.00 C ATOM 99 C LYS A 8 10.071 1.906 3.099 1.00 0.00 C ATOM 100 O LYS A 8 10.917 1.532 3.907 1.00 0.00 O ATOM 101 CB LYS A 8 10.686 4.032 1.917 1.00 0.00 C ATOM 102 CG LYS A 8 11.887 4.375 2.775 1.00 0.00 C ATOM 103 CD LYS A 8 12.102 5.878 2.868 1.00 0.00 C ATOM 104 CE LYS A 8 12.390 6.491 1.505 1.00 0.00 C ATOM 105 NZ LYS A 8 12.656 7.949 1.594 1.00 0.00 N ATOM 0 H LYS A 8 8.807 3.090 0.613 1.00 0.00 H new ATOM 0 HA LYS A 8 11.384 2.085 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.816 4.476 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.796 4.483 2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.749 3.965 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.778 3.905 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.217 6.346 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.932 6.086 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.250 5.993 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.542 6.317 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.847 8.326 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.826 8.429 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.482 8.115 2.204 1.00 0.00 H new ATOM 119 N HIS A 9 8.758 1.793 3.298 1.00 0.00 N ATOM 120 CA HIS A 9 8.175 1.243 4.520 1.00 0.00 C ATOM 121 C HIS A 9 6.665 1.141 4.360 1.00 0.00 C ATOM 122 O HIS A 9 6.109 1.769 3.466 1.00 0.00 O ATOM 123 CB HIS A 9 8.521 2.095 5.755 1.00 0.00 C ATOM 124 CG HIS A 9 8.398 3.573 5.533 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.446 4.343 5.094 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.339 4.410 5.641 1.00 0.00 C ATOM 127 CE1 HIS A 9 9.043 5.585 4.930 1.00 0.00 C ATOM 128 NE2 HIS A 9 7.768 5.656 5.258 1.00 0.00 N ATOM 0 H HIS A 9 8.064 2.083 2.609 1.00 0.00 H new ATOM 0 HA HIS A 9 8.599 0.252 4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.866 1.806 6.577 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.541 1.869 6.065 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.344 4.146 5.967 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.653 6.407 4.585 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.194 6.499 5.231 1.00 0.00 H new ATOM 137 N SER A 10 6.008 0.375 5.214 1.00 0.00 N ATOM 138 CA SER A 10 4.566 0.166 5.100 1.00 0.00 C ATOM 139 C SER A 10 3.792 1.488 5.187 1.00 0.00 C ATOM 140 O SER A 10 2.809 1.689 4.473 1.00 0.00 O ATOM 141 CB SER A 10 4.113 -0.798 6.193 1.00 0.00 C ATOM 142 OG SER A 10 4.609 -0.392 7.458 1.00 0.00 O ATOM 0 H SER A 10 6.445 -0.114 5.995 1.00 0.00 H new ATOM 0 HA SER A 10 4.353 -0.263 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.024 -0.839 6.220 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.464 -1.804 5.965 1.00 0.00 H new ATOM 0 HG SER A 10 4.306 -1.022 8.145 1.00 0.00 H new ATOM 148 N GLY A 11 4.269 2.395 6.036 1.00 0.00 N ATOM 149 CA GLY A 11 3.584 3.660 6.263 1.00 0.00 C ATOM 150 C GLY A 11 3.380 4.489 5.005 1.00 0.00 C ATOM 151 O GLY A 11 2.378 5.190 4.882 1.00 0.00 O ATOM 0 H GLY A 11 5.126 2.276 6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.612 3.459 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.155 4.246 6.983 1.00 0.00 H new ATOM 155 N GLN A 12 4.319 4.418 4.066 1.00 0.00 N ATOM 156 CA GLN A 12 4.217 5.217 2.845 1.00 0.00 C ATOM 157 C GLN A 12 3.487 4.453 1.746 1.00 0.00 C ATOM 158 O GLN A 12 3.395 4.915 0.608 1.00 0.00 O ATOM 159 CB GLN A 12 5.600 5.694 2.370 1.00 0.00 C ATOM 160 CG GLN A 12 6.637 4.595 2.174 1.00 0.00 C ATOM 161 CD GLN A 12 6.489 3.841 0.867 1.00 0.00 C ATOM 162 OE1 GLN A 12 5.803 2.828 0.798 1.00 0.00 O ATOM 163 NE2 GLN A 12 7.150 4.318 -0.175 1.00 0.00 N ATOM 0 H GLN A 12 5.148 3.826 4.123 1.00 0.00 H new ATOM 0 HA GLN A 12 3.628 6.104 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.478 6.228 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.987 6.411 3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.633 5.036 2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.565 3.888 3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.711 5.164 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.098 3.839 -1.074 1.00 0.00 H new ATOM 172 N CYS A 13 2.962 3.287 2.096 1.00 0.00 N ATOM 173 CA CYS A 13 2.231 2.463 1.145 1.00 0.00 C ATOM 174 C CYS A 13 0.784 2.921 1.075 1.00 0.00 C ATOM 175 O CYS A 13 0.058 2.600 0.136 1.00 0.00 O ATOM 176 CB CYS A 13 2.303 0.988 1.559 1.00 0.00 C ATOM 177 SG CYS A 13 1.396 -0.141 0.461 1.00 0.00 S ATOM 0 H CYS A 13 3.029 2.890 3.033 1.00 0.00 H new ATOM 0 HA CYS A 13 2.684 2.569 0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.349 0.682 1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.910 0.887 2.570 1.00 0.00 H new ATOM 182 N LEU A 14 0.392 3.711 2.063 1.00 0.00 N ATOM 183 CA LEU A 14 -0.980 4.171 2.205 1.00 0.00 C ATOM 184 C LEU A 14 -1.450 4.937 0.976 1.00 0.00 C ATOM 185 O LEU A 14 -2.506 4.647 0.414 1.00 0.00 O ATOM 186 CB LEU A 14 -1.084 5.072 3.431 1.00 0.00 C ATOM 187 CG LEU A 14 -0.753 4.399 4.768 1.00 0.00 C ATOM 188 CD1 LEU A 14 -1.045 5.336 5.927 1.00 0.00 C ATOM 189 CD2 LEU A 14 -1.516 3.092 4.922 1.00 0.00 C ATOM 0 H LEU A 14 1.019 4.052 2.791 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.618 3.295 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.415 5.922 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.097 5.470 3.484 1.00 0.00 H new ATOM 0 HG LEU A 14 0.312 4.169 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.803 4.839 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.440 6.237 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.101 5.605 5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.264 2.634 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.587 3.290 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.244 2.415 4.113 1.00 0.00 H new ATOM 201 N LYS A 15 -0.649 5.905 0.570 1.00 0.00 N ATOM 202 CA LYS A 15 -0.984 6.791 -0.521 1.00 0.00 C ATOM 203 C LYS A 15 -1.209 6.050 -1.853 1.00 0.00 C ATOM 204 O LYS A 15 -2.283 6.180 -2.442 1.00 0.00 O ATOM 205 CB LYS A 15 0.100 7.857 -0.641 1.00 0.00 C ATOM 206 CG LYS A 15 -0.026 8.703 -1.876 1.00 0.00 C ATOM 207 CD LYS A 15 1.006 9.823 -1.921 1.00 0.00 C ATOM 208 CE LYS A 15 0.656 10.981 -0.987 1.00 0.00 C ATOM 209 NZ LYS A 15 0.789 10.630 0.455 1.00 0.00 N ATOM 0 H LYS A 15 0.259 6.097 0.994 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.939 7.265 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.063 8.502 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.077 7.373 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.087 8.073 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.027 9.133 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.983 9.423 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.088 10.196 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.305 11.828 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.367 11.302 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.158 11.449 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.142 10.366 0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.444 9.829 0.558 1.00 0.00 H new ATOM 223 N PRO A 16 -0.240 5.250 -2.362 1.00 0.00 N ATOM 224 CA PRO A 16 -0.430 4.550 -3.636 1.00 0.00 C ATOM 225 C PRO A 16 -1.485 3.456 -3.519 1.00 0.00 C ATOM 226 O PRO A 16 -2.144 3.097 -4.497 1.00 0.00 O ATOM 227 CB PRO A 16 0.947 3.960 -3.943 1.00 0.00 C ATOM 228 CG PRO A 16 1.606 3.820 -2.619 1.00 0.00 C ATOM 229 CD PRO A 16 1.082 4.953 -1.769 1.00 0.00 C ATOM 0 HA PRO A 16 -0.788 5.212 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.861 2.997 -4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.519 4.613 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.374 2.855 -2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.690 3.874 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.996 4.662 -0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.742 5.820 -1.805 1.00 0.00 H new ATOM 237 N CYS A 17 -1.652 2.945 -2.309 1.00 0.00 N ATOM 238 CA CYS A 17 -2.687 1.967 -2.024 1.00 0.00 C ATOM 239 C CYS A 17 -4.058 2.620 -2.136 1.00 0.00 C ATOM 240 O CYS A 17 -5.020 2.017 -2.620 1.00 0.00 O ATOM 241 CB CYS A 17 -2.488 1.389 -0.625 1.00 0.00 C ATOM 242 SG CYS A 17 -3.660 0.075 -0.195 1.00 0.00 S ATOM 0 H CYS A 17 -1.078 3.195 -1.504 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.623 1.156 -2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.474 0.997 -0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.576 2.194 0.105 1.00 0.00 H new ATOM 247 N LYS A 18 -4.130 3.871 -1.704 1.00 0.00 N ATOM 248 CA LYS A 18 -5.341 4.661 -1.811 1.00 0.00 C ATOM 249 C LYS A 18 -5.622 4.974 -3.271 1.00 0.00 C ATOM 250 O LYS A 18 -6.766 4.934 -3.719 1.00 0.00 O ATOM 251 CB LYS A 18 -5.181 5.947 -1.006 1.00 0.00 C ATOM 252 CG LYS A 18 -6.297 6.950 -1.215 1.00 0.00 C ATOM 253 CD LYS A 18 -6.119 8.170 -0.326 1.00 0.00 C ATOM 254 CE LYS A 18 -6.720 7.970 1.061 1.00 0.00 C ATOM 255 NZ LYS A 18 -6.118 6.823 1.790 1.00 0.00 N ATOM 0 H LYS A 18 -3.349 4.364 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.184 4.098 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.127 5.696 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.233 6.414 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.319 7.259 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.256 6.479 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.057 8.395 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.586 9.033 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.582 8.879 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.794 7.811 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.396 6.864 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.454 5.932 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.082 6.870 1.716 1.00 0.00 H new ATOM 269 N LYS A 19 -4.560 5.273 -4.009 1.00 0.00 N ATOM 270 CA LYS A 19 -4.651 5.498 -5.445 1.00 0.00 C ATOM 271 C LYS A 19 -5.210 4.257 -6.140 1.00 0.00 C ATOM 272 O LYS A 19 -5.928 4.351 -7.139 1.00 0.00 O ATOM 273 CB LYS A 19 -3.266 5.845 -6.006 1.00 0.00 C ATOM 274 CG LYS A 19 -3.264 6.185 -7.489 1.00 0.00 C ATOM 275 CD LYS A 19 -4.120 7.407 -7.790 1.00 0.00 C ATOM 276 CE LYS A 19 -3.568 8.660 -7.129 1.00 0.00 C ATOM 277 NZ LYS A 19 -4.439 9.838 -7.368 1.00 0.00 N ATOM 0 H LYS A 19 -3.617 5.366 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.327 6.333 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.862 6.691 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.596 5.002 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.241 6.368 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.635 5.332 -8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.172 7.558 -8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.138 7.232 -7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.470 8.492 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.568 8.863 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.030 10.673 -6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.513 10.014 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.386 9.654 -6.979 1.00 0.00 H new ATOM 291 N ALA A 20 -4.882 3.094 -5.592 1.00 0.00 N ATOM 292 CA ALA A 20 -5.376 1.831 -6.113 1.00 0.00 C ATOM 293 C ALA A 20 -6.823 1.603 -5.693 1.00 0.00 C ATOM 294 O ALA A 20 -7.621 1.049 -6.452 1.00 0.00 O ATOM 295 CB ALA A 20 -4.500 0.690 -5.641 1.00 0.00 C ATOM 0 H ALA A 20 -4.271 3.002 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.340 1.870 -7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.882 -0.250 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.480 0.845 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.507 0.653 -4.552 1.00 0.00 H new ATOM 301 N GLY A 21 -7.154 2.015 -4.475 1.00 0.00 N ATOM 302 CA GLY A 21 -8.540 1.989 -4.043 1.00 0.00 C ATOM 303 C GLY A 21 -8.762 1.324 -2.697 1.00 0.00 C ATOM 304 O GLY A 21 -9.902 1.227 -2.239 1.00 0.00 O ATOM 0 H GLY A 21 -6.492 2.365 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.913 3.012 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.133 1.468 -4.795 1.00 0.00 H new ATOM 308 N MET A 22 -7.695 0.884 -2.043 1.00 0.00 N ATOM 309 CA MET A 22 -7.840 0.178 -0.773 1.00 0.00 C ATOM 310 C MET A 22 -7.664 1.127 0.403 1.00 0.00 C ATOM 311 O MET A 22 -7.629 2.345 0.224 1.00 0.00 O ATOM 312 CB MET A 22 -6.859 -0.991 -0.651 1.00 0.00 C ATOM 313 CG MET A 22 -7.179 -2.171 -1.556 1.00 0.00 C ATOM 314 SD MET A 22 -6.787 -1.862 -3.289 1.00 0.00 S ATOM 315 CE MET A 22 -5.023 -1.580 -3.180 1.00 0.00 C ATOM 0 H MET A 22 -6.733 1.000 -2.363 1.00 0.00 H new ATOM 0 HA MET A 22 -8.851 -0.228 -0.753 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.855 -0.634 -0.880 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.847 -1.334 0.384 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.623 -3.044 -1.214 1.00 0.00 H new ATOM 0 HG3 MET A 22 -8.238 -2.412 -1.467 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.586 -1.621 -4.178 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.838 -0.599 -2.743 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.570 -2.348 -2.553 1.00 0.00 H new ATOM 325 N ARG A 23 -7.549 0.573 1.602 1.00 0.00 N ATOM 326 CA ARG A 23 -7.471 1.388 2.804 1.00 0.00 C ATOM 327 C ARG A 23 -6.032 1.537 3.284 1.00 0.00 C ATOM 328 O ARG A 23 -5.504 2.646 3.372 1.00 0.00 O ATOM 329 CB ARG A 23 -8.342 0.782 3.910 1.00 0.00 C ATOM 330 CG ARG A 23 -9.825 0.795 3.582 1.00 0.00 C ATOM 331 CD ARG A 23 -10.676 0.547 4.813 1.00 0.00 C ATOM 332 NE ARG A 23 -10.640 -0.848 5.240 1.00 0.00 N ATOM 333 CZ ARG A 23 -11.117 -1.280 6.404 1.00 0.00 C ATOM 334 NH1 ARG A 23 -11.675 -0.433 7.258 1.00 0.00 N ATOM 335 NH2 ARG A 23 -11.038 -2.565 6.708 1.00 0.00 N ATOM 0 H ARG A 23 -7.508 -0.433 1.767 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.844 2.383 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.026 -0.245 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.177 1.333 4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.092 1.756 3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.038 0.033 2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.327 1.183 5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.706 0.834 4.603 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.224 -1.532 4.608 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.741 0.558 7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.038 -0.772 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.613 -3.219 6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.402 -2.902 7.599 1.00 0.00 H new ATOM 349 N PHE A 24 -5.401 0.417 3.584 1.00 0.00 N ATOM 350 CA PHE A 24 -4.051 0.417 4.137 1.00 0.00 C ATOM 351 C PHE A 24 -3.157 -0.514 3.344 1.00 0.00 C ATOM 352 O PHE A 24 -3.644 -1.433 2.685 1.00 0.00 O ATOM 353 CB PHE A 24 -4.053 -0.027 5.601 1.00 0.00 C ATOM 354 CG PHE A 24 -5.415 -0.332 6.148 1.00 0.00 C ATOM 355 CD1 PHE A 24 -6.086 -1.458 5.721 1.00 0.00 C ATOM 356 CD2 PHE A 24 -6.020 0.495 7.077 1.00 0.00 C ATOM 357 CE1 PHE A 24 -7.336 -1.763 6.203 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.275 0.198 7.568 1.00 0.00 C ATOM 359 CZ PHE A 24 -7.935 -0.933 7.130 1.00 0.00 C ATOM 0 H PHE A 24 -5.801 -0.512 3.454 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.672 1.437 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.427 -0.913 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.597 0.756 6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.622 -2.111 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.506 1.380 7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.848 -2.649 5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.740 0.849 8.293 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.918 -1.168 7.512 1.00 0.00 H new ATOM 369 N GLY A 25 -1.855 -0.294 3.447 1.00 0.00 N ATOM 370 CA GLY A 25 -0.906 -1.080 2.688 1.00 0.00 C ATOM 371 C GLY A 25 0.277 -1.533 3.517 1.00 0.00 C ATOM 372 O GLY A 25 0.624 -0.904 4.519 1.00 0.00 O ATOM 0 H GLY A 25 -1.438 0.418 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.412 -1.954 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.548 -0.492 1.843 1.00 0.00 H new ATOM 376 N LYS A 26 0.893 -2.627 3.093 1.00 0.00 N ATOM 377 CA LYS A 26 2.075 -3.164 3.747 1.00 0.00 C ATOM 378 C LYS A 26 3.246 -3.147 2.786 1.00 0.00 C ATOM 379 O LYS A 26 3.073 -2.974 1.580 1.00 0.00 O ATOM 380 CB LYS A 26 1.841 -4.599 4.219 1.00 0.00 C ATOM 381 CG LYS A 26 0.879 -4.728 5.384 1.00 0.00 C ATOM 382 CD LYS A 26 0.720 -6.182 5.798 1.00 0.00 C ATOM 383 CE LYS A 26 -0.206 -6.334 6.992 1.00 0.00 C ATOM 384 NZ LYS A 26 -1.573 -5.832 6.709 1.00 0.00 N ATOM 0 H LYS A 26 0.586 -3.167 2.284 1.00 0.00 H new ATOM 0 HA LYS A 26 2.291 -2.540 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.460 -5.186 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.798 -5.035 4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.244 -4.143 6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.091 -4.316 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.328 -6.757 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.697 -6.599 6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.259 -7.385 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.209 -5.793 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.215 -6.121 7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.555 -4.794 6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.909 -6.228 5.808 1.00 0.00 H new ATOM 398 N CYS A 27 4.433 -3.348 3.318 1.00 0.00 N ATOM 399 CA CYS A 27 5.635 -3.326 2.507 1.00 0.00 C ATOM 400 C CYS A 27 6.145 -4.739 2.252 1.00 0.00 C ATOM 401 O CYS A 27 6.703 -5.379 3.146 1.00 0.00 O ATOM 402 CB CYS A 27 6.722 -2.499 3.190 1.00 0.00 C ATOM 403 SG CYS A 27 8.214 -2.278 2.171 1.00 0.00 S ATOM 0 H CYS A 27 4.593 -3.529 4.309 1.00 0.00 H new ATOM 0 HA CYS A 27 5.387 -2.868 1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.317 -1.520 3.444 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.000 -2.982 4.127 1.00 0.00 H new ATOM 408 N ILE A 28 5.960 -5.223 1.031 1.00 0.00 N ATOM 409 CA ILE A 28 6.438 -6.531 0.647 1.00 0.00 C ATOM 410 C ILE A 28 7.489 -6.328 -0.444 1.00 0.00 C ATOM 411 O ILE A 28 7.670 -5.199 -0.886 1.00 0.00 O ATOM 412 CB ILE A 28 5.244 -7.420 0.189 1.00 0.00 C ATOM 413 CG1 ILE A 28 4.291 -7.626 1.369 1.00 0.00 C ATOM 414 CG2 ILE A 28 5.694 -8.766 -0.363 1.00 0.00 C ATOM 415 CD1 ILE A 28 3.250 -8.700 1.137 1.00 0.00 C ATOM 0 H ILE A 28 5.477 -4.718 0.288 1.00 0.00 H new ATOM 0 HA ILE A 28 6.900 -7.057 1.483 1.00 0.00 H new ATOM 0 HB ILE A 28 4.735 -6.902 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.874 -7.884 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.786 -6.684 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.822 -9.345 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.343 -8.607 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.240 -9.311 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.613 -8.786 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.640 -8.435 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.745 -9.653 0.953 1.00 0.00 H new ATOM 427 N ASN A 29 8.192 -7.395 -0.833 1.00 0.00 N ATOM 428 CA ASN A 29 9.332 -7.336 -1.772 1.00 0.00 C ATOM 429 C ASN A 29 8.977 -6.741 -3.147 1.00 0.00 C ATOM 430 O ASN A 29 9.028 -7.419 -4.172 1.00 0.00 O ATOM 431 CB ASN A 29 9.921 -8.745 -1.946 1.00 0.00 C ATOM 432 CG ASN A 29 8.873 -9.811 -2.249 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.026 -10.970 -1.866 1.00 0.00 O ATOM 434 ND2 ASN A 29 7.800 -9.430 -2.929 1.00 0.00 N ATOM 0 H ASN A 29 7.989 -8.339 -0.505 1.00 0.00 H new ATOM 0 HA ASN A 29 10.065 -6.660 -1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.653 -8.727 -2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.456 -9.021 -1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.069 -10.107 -3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.705 -8.460 -3.231 1.00 0.00 H new ATOM 441 N GLY A 30 8.636 -5.474 -3.153 1.00 0.00 N ATOM 442 CA GLY A 30 8.255 -4.793 -4.367 1.00 0.00 C ATOM 443 C GLY A 30 6.753 -4.769 -4.536 1.00 0.00 C ATOM 444 O GLY A 30 6.240 -4.354 -5.575 1.00 0.00 O ATOM 0 H GLY A 30 8.615 -4.888 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.637 -3.772 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.711 -5.289 -5.223 1.00 0.00 H new ATOM 448 N LYS A 31 6.038 -5.237 -3.518 1.00 0.00 N ATOM 449 CA LYS A 31 4.608 -5.334 -3.588 1.00 0.00 C ATOM 450 C LYS A 31 3.974 -4.566 -2.442 1.00 0.00 C ATOM 451 O LYS A 31 4.407 -4.687 -1.297 1.00 0.00 O ATOM 452 CB LYS A 31 4.210 -6.804 -3.543 1.00 0.00 C ATOM 453 CG LYS A 31 2.756 -7.037 -3.200 1.00 0.00 C ATOM 454 CD LYS A 31 2.494 -8.504 -2.942 1.00 0.00 C ATOM 455 CE LYS A 31 2.565 -9.324 -4.222 1.00 0.00 C ATOM 456 NZ LYS A 31 2.295 -10.765 -3.975 1.00 0.00 N ATOM 0 H LYS A 31 6.440 -5.553 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 31 4.252 -4.896 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.421 -7.257 -4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.832 -7.316 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.488 -6.454 -2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.124 -6.688 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.224 -8.883 -2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.510 -8.623 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.842 -8.938 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.552 -9.212 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.353 -11.288 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.000 -11.141 -3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.343 -10.876 -3.571 1.00 0.00 H new ATOM 470 N CYS A 32 2.967 -3.774 -2.743 1.00 0.00 N ATOM 471 CA CYS A 32 2.197 -3.129 -1.700 1.00 0.00 C ATOM 472 C CYS A 32 0.948 -3.939 -1.428 1.00 0.00 C ATOM 473 O CYS A 32 -0.102 -3.709 -2.032 1.00 0.00 O ATOM 474 CB CYS A 32 1.827 -1.696 -2.074 1.00 0.00 C ATOM 475 SG CYS A 32 2.674 -0.434 -1.079 1.00 0.00 S ATOM 0 H CYS A 32 2.664 -3.562 -3.694 1.00 0.00 H new ATOM 0 HA CYS A 32 2.811 -3.081 -0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.062 -1.533 -3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.750 -1.569 -1.964 1.00 0.00 H new ATOM 480 N ASP A 33 1.073 -4.907 -0.534 1.00 0.00 N ATOM 481 CA ASP A 33 -0.049 -5.756 -0.181 1.00 0.00 C ATOM 482 C ASP A 33 -0.972 -5.011 0.765 1.00 0.00 C ATOM 483 O ASP A 33 -0.608 -4.685 1.894 1.00 0.00 O ATOM 484 CB ASP A 33 0.431 -7.067 0.443 1.00 0.00 C ATOM 485 CG ASP A 33 -0.700 -7.857 1.079 1.00 0.00 C ATOM 486 OD1 ASP A 33 -1.433 -8.551 0.343 1.00 0.00 O ATOM 487 OD2 ASP A 33 -0.873 -7.778 2.311 1.00 0.00 O ATOM 0 H ASP A 33 1.940 -5.123 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.600 -6.008 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.909 -7.677 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.188 -6.851 1.197 1.00 0.00 H new ATOM 492 N CYS A 34 -2.157 -4.720 0.274 1.00 0.00 N ATOM 493 CA CYS A 34 -3.099 -3.882 0.987 1.00 0.00 C ATOM 494 C CYS A 34 -4.182 -4.691 1.667 1.00 0.00 C ATOM 495 O CYS A 34 -4.273 -5.904 1.500 1.00 0.00 O ATOM 496 CB CYS A 34 -3.753 -2.910 0.015 1.00 0.00 C ATOM 497 SG CYS A 34 -2.645 -1.624 -0.624 1.00 0.00 S ATOM 0 H CYS A 34 -2.495 -5.056 -0.628 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.541 -3.347 1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.157 -3.474 -0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.596 -2.431 0.512 1.00 0.00 H new ATOM 502 N THR A 35 -4.994 -4.003 2.445 1.00 0.00 N ATOM 503 CA THR A 35 -6.212 -4.568 2.965 1.00 0.00 C ATOM 504 C THR A 35 -7.362 -3.640 2.596 1.00 0.00 C ATOM 505 O THR A 35 -7.311 -2.433 2.860 1.00 0.00 O ATOM 506 CB THR A 35 -6.150 -4.768 4.490 1.00 0.00 C ATOM 507 OG1 THR A 35 -5.057 -5.636 4.819 1.00 0.00 O ATOM 508 CG2 THR A 35 -7.455 -5.363 5.003 1.00 0.00 C ATOM 0 H THR A 35 -4.824 -3.039 2.731 1.00 0.00 H new ATOM 0 HA THR A 35 -6.360 -5.555 2.527 1.00 0.00 H new ATOM 0 HB THR A 35 -5.999 -3.799 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.019 -5.760 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.394 -5.498 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.279 -4.690 4.767 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.627 -6.328 4.526 1.00 0.00 H new ATOM 516 N PRO A 36 -8.385 -4.180 1.930 1.00 0.00 N ATOM 517 CA PRO A 36 -9.516 -3.399 1.459 1.00 0.00 C ATOM 518 C PRO A 36 -10.564 -3.204 2.548 1.00 0.00 C ATOM 519 O PRO A 36 -10.251 -3.256 3.741 1.00 0.00 O ATOM 520 CB PRO A 36 -10.044 -4.260 0.314 1.00 0.00 C ATOM 521 CG PRO A 36 -9.768 -5.660 0.738 1.00 0.00 C ATOM 522 CD PRO A 36 -8.526 -5.609 1.591 1.00 0.00 C ATOM 0 HA PRO A 36 -9.250 -2.386 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.110 -4.097 0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.542 -4.024 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.608 -6.069 1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.619 -6.306 -0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.630 -6.223 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.655 -5.979 1.050 1.00 0.00 H new ATOM 530 N LYS A 37 -11.793 -2.947 2.137 1.00 0.00 N ATOM 531 CA LYS A 37 -12.898 -2.776 3.071 1.00 0.00 C ATOM 532 C LYS A 37 -13.164 -4.070 3.833 1.00 0.00 C ATOM 533 O LYS A 37 -12.859 -4.125 5.041 1.00 0.00 O ATOM 534 CB LYS A 37 -14.165 -2.336 2.332 1.00 0.00 C ATOM 535 CG LYS A 37 -14.403 -0.831 2.336 1.00 0.00 C ATOM 536 CD LYS A 37 -13.209 -0.059 1.803 1.00 0.00 C ATOM 537 CE LYS A 37 -13.509 1.427 1.688 1.00 0.00 C ATOM 538 NZ LYS A 37 -13.971 2.012 2.975 1.00 0.00 N ATOM 539 OXT LYS A 37 -13.660 -5.034 3.215 1.00 0.00 O ATOM 0 H LYS A 37 -12.055 -2.851 1.156 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.620 -2.000 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.107 -2.680 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.025 -2.829 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.281 -0.602 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.622 -0.502 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.355 -0.208 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.929 -0.451 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.614 1.951 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.272 1.583 0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.615 2.985 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.011 2.020 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.611 1.440 3.765 1.00 0.00 H new TER 553 LYS A 37