USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 282 hydrogens (2 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+ 178:sc= -0.382 (180deg=-0.392) USER MOD Single : A 4 ASN :FLIP amide:sc= 1.11 F(o=-0.37,f=1.1) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.107) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.341 K(o=-0.34,f=-1.9) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0897 USER MOD Single : A 12 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.6) USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.271) USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= -2.11! (180deg=-4.94!) USER MOD Single : A 22 MET CE :methyl -167:sc= -0.52 (180deg=-1.02) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= -0.0129 (180deg=-0.172) USER MOD Single : A 29 ASN : amide:sc= -0.675 K(o=-0.67,f=-2.4!) USER MOD Single : A 31 LYS NZ :NH3+ -111:sc= 0.251 (180deg=-1.66) USER MOD Single : A 35 THR OG1 : rot -110:sc= -0.0175 USER MOD Single : A 37 LYS NZ :NH3+ -107:sc= -1.75 (180deg=-4.51!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.211 -0.596 -2.372 1.00 0.00 N ATOM 2 CA VAL A 1 1.710 -0.905 -1.002 1.00 0.00 C ATOM 3 C VAL A 1 2.853 -1.931 -1.059 1.00 0.00 C ATOM 4 O VAL A 1 2.670 -3.114 -0.854 1.00 0.00 O ATOM 5 CB VAL A 1 0.542 -1.449 -0.111 1.00 0.00 C ATOM 6 CG1 VAL A 1 -0.448 -0.299 0.172 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.245 -2.605 -0.791 1.00 0.00 C ATOM 0 H1 VAL A 1 0.417 0.073 -2.310 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.977 -0.172 -2.933 1.00 0.00 H new ATOM 0 H3 VAL A 1 0.890 -1.473 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 1 2.094 0.015 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 1 0.989 -1.837 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -1.266 -0.667 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.069 0.506 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.848 0.077 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.042 -2.942 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.677 -2.250 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.432 -3.435 -0.996 1.00 0.00 H new ATOM 19 N GLY A 2 4.015 -1.403 -1.352 1.00 0.00 N ATOM 20 CA GLY A 2 5.264 -2.151 -1.471 1.00 0.00 C ATOM 21 C GLY A 2 6.406 -1.520 -0.694 1.00 0.00 C ATOM 22 O GLY A 2 6.187 -0.593 0.061 1.00 0.00 O ATOM 0 H GLY A 2 4.133 -0.404 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.107 -3.169 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.541 -2.221 -2.523 1.00 0.00 H new ATOM 26 N ILE A 3 7.595 -2.037 -0.901 1.00 0.00 N ATOM 27 CA ILE A 3 8.772 -1.495 -0.191 1.00 0.00 C ATOM 28 C ILE A 3 9.647 -0.812 -1.246 1.00 0.00 C ATOM 29 O ILE A 3 9.320 0.261 -1.713 1.00 0.00 O ATOM 30 CB ILE A 3 9.466 -2.724 0.550 1.00 0.00 C ATOM 31 CG1 ILE A 3 9.664 -3.980 -0.367 1.00 0.00 C ATOM 32 CG2 ILE A 3 8.510 -3.181 1.659 1.00 0.00 C ATOM 33 CD1 ILE A 3 10.489 -5.069 0.361 1.00 0.00 C ATOM 0 H ILE A 3 7.790 -2.812 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 3 8.545 -0.748 0.570 1.00 0.00 H new ATOM 0 HB ILE A 3 10.442 -2.380 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.693 -4.384 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.171 -3.688 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.949 -4.024 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.341 -2.359 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.560 -3.485 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.613 -5.931 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 3 11.468 -4.669 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 3 9.967 -5.375 1.268 1.00 0.00 H new ATOM 45 N ASN A 4 10.718 -1.465 -1.583 1.00 0.00 N ATOM 46 CA ASN A 4 11.707 -0.979 -2.585 1.00 0.00 C ATOM 47 C ASN A 4 12.738 -2.109 -2.832 1.00 0.00 C ATOM 48 O ASN A 4 13.908 -1.846 -3.035 1.00 0.00 O ATOM 49 CB ASN A 4 12.345 0.241 -1.971 1.00 0.00 C ATOM 50 CG ASN A 4 13.100 1.101 -3.000 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.659 2.303 -3.247 1.00 0.00 O flip ATOM 52 ND2 ASN A 4 14.085 0.700 -3.586 1.00 0.00 N flip ATOM 0 H ASN A 4 10.962 -2.370 -1.180 1.00 0.00 H new ATOM 0 HA ASN A 4 11.263 -0.722 -3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.575 0.847 -1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.036 -0.071 -1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.441 -0.238 -3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 4 14.557 1.301 -4.262 1.00 0.00 H new ATOM 59 N VAL A 5 12.284 -3.337 -2.808 1.00 0.00 N ATOM 60 CA VAL A 5 13.206 -4.499 -3.032 1.00 0.00 C ATOM 61 C VAL A 5 12.608 -5.369 -4.134 1.00 0.00 C ATOM 62 O VAL A 5 11.439 -5.245 -4.447 1.00 0.00 O ATOM 63 CB VAL A 5 13.340 -5.285 -1.691 1.00 0.00 C ATOM 64 CG1 VAL A 5 14.328 -6.468 -1.820 1.00 0.00 C ATOM 65 CG2 VAL A 5 13.854 -4.338 -0.580 1.00 0.00 C ATOM 0 H VAL A 5 11.310 -3.589 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 5 14.200 -4.176 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 5 12.354 -5.676 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.395 -6.992 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.974 -7.156 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.313 -6.091 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.946 -4.890 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.828 -3.939 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.150 -3.516 -0.448 1.00 0.00 H new ATOM 75 N LYS A 6 13.434 -6.231 -4.674 1.00 0.00 N ATOM 76 CA LYS A 6 13.006 -7.140 -5.753 1.00 0.00 C ATOM 77 C LYS A 6 12.738 -8.535 -5.194 1.00 0.00 C ATOM 78 O LYS A 6 13.385 -8.996 -4.273 1.00 0.00 O ATOM 79 CB LYS A 6 14.143 -7.113 -6.826 1.00 0.00 C ATOM 80 CG LYS A 6 14.123 -8.340 -7.773 1.00 0.00 C ATOM 81 CD LYS A 6 14.986 -9.474 -7.155 1.00 0.00 C ATOM 82 CE LYS A 6 14.796 -10.768 -7.938 1.00 0.00 C ATOM 83 NZ LYS A 6 15.238 -10.606 -9.352 1.00 0.00 N ATOM 0 H LYS A 6 14.410 -6.336 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 6 12.068 -6.828 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.051 -6.203 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.108 -7.068 -6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.099 -8.684 -7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.511 -8.064 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.037 -9.186 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.706 -9.627 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.363 -11.570 -7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.747 -11.062 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.276 -11.538 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.565 -9.996 -9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.182 -10.171 -9.373 1.00 0.00 H new ATOM 97 N CYS A 7 11.758 -9.145 -5.804 1.00 0.00 N ATOM 98 CA CYS A 7 11.320 -10.518 -5.429 1.00 0.00 C ATOM 99 C CYS A 7 11.247 -11.463 -6.617 1.00 0.00 C ATOM 100 O CYS A 7 11.294 -11.087 -7.772 1.00 0.00 O ATOM 101 CB CYS A 7 9.947 -10.435 -4.793 1.00 0.00 C ATOM 102 SG CYS A 7 8.756 -9.445 -5.725 1.00 0.00 S ATOM 0 H CYS A 7 11.227 -8.733 -6.571 1.00 0.00 H new ATOM 0 HA CYS A 7 12.063 -10.917 -4.738 1.00 0.00 H new ATOM 0 HB2 CYS A 7 9.551 -11.444 -4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.047 -10.015 -3.792 1.00 0.00 H new ATOM 107 N LYS A 8 11.127 -12.690 -6.205 1.00 0.00 N ATOM 108 CA LYS A 8 11.020 -13.866 -7.109 1.00 0.00 C ATOM 109 C LYS A 8 9.678 -14.523 -6.747 1.00 0.00 C ATOM 110 O LYS A 8 8.924 -14.930 -7.610 1.00 0.00 O ATOM 111 CB LYS A 8 12.191 -14.824 -6.834 1.00 0.00 C ATOM 112 CG LYS A 8 13.533 -14.097 -7.101 1.00 0.00 C ATOM 113 CD LYS A 8 14.734 -15.013 -6.762 1.00 0.00 C ATOM 114 CE LYS A 8 14.781 -16.237 -7.699 1.00 0.00 C ATOM 115 NZ LYS A 8 15.972 -17.072 -7.378 1.00 0.00 N ATOM 0 H LYS A 8 11.097 -12.938 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 8 11.061 -13.598 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.154 -15.172 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.110 -15.705 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.585 -13.794 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.584 -13.187 -6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.662 -14.448 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.660 -15.346 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.871 -16.827 -7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.824 -15.910 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.999 -17.896 -8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.836 -16.508 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.913 -17.396 -6.392 1.00 0.00 H new ATOM 129 N HIS A 9 9.440 -14.596 -5.458 1.00 0.00 N ATOM 130 CA HIS A 9 8.194 -15.200 -4.896 1.00 0.00 C ATOM 131 C HIS A 9 7.551 -14.227 -3.908 1.00 0.00 C ATOM 132 O HIS A 9 8.085 -13.174 -3.614 1.00 0.00 O ATOM 133 CB HIS A 9 8.556 -16.506 -4.177 1.00 0.00 C ATOM 134 CG HIS A 9 9.475 -17.328 -5.082 1.00 0.00 C ATOM 135 ND1 HIS A 9 10.761 -17.212 -5.141 1.00 0.00 N ATOM 136 CD2 HIS A 9 9.177 -18.313 -5.996 1.00 0.00 C ATOM 137 CE1 HIS A 9 11.232 -18.046 -6.012 1.00 0.00 C ATOM 138 NE2 HIS A 9 10.281 -18.754 -6.570 1.00 0.00 N ATOM 0 H HIS A 9 10.085 -14.248 -4.749 1.00 0.00 H new ATOM 0 HA HIS A 9 7.488 -15.406 -5.700 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.052 -16.291 -3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.654 -17.071 -3.943 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.182 -18.674 -6.213 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.281 -18.146 -6.250 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.373 -19.478 -7.283 1.00 0.00 H new ATOM 146 N SER A 10 6.410 -14.641 -3.421 1.00 0.00 N ATOM 147 CA SER A 10 5.644 -13.825 -2.438 1.00 0.00 C ATOM 148 C SER A 10 6.129 -14.168 -1.008 1.00 0.00 C ATOM 149 O SER A 10 5.406 -14.071 -0.035 1.00 0.00 O ATOM 150 CB SER A 10 4.150 -14.149 -2.605 1.00 0.00 C ATOM 151 OG SER A 10 3.851 -13.696 -3.918 1.00 0.00 O ATOM 0 H SER A 10 5.971 -15.527 -3.669 1.00 0.00 H new ATOM 0 HA SER A 10 5.801 -12.760 -2.606 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.957 -15.216 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.544 -13.638 -1.857 1.00 0.00 H new ATOM 0 HG SER A 10 2.906 -13.866 -4.115 1.00 0.00 H new ATOM 157 N GLY A 11 7.380 -14.557 -0.971 1.00 0.00 N ATOM 158 CA GLY A 11 8.123 -14.946 0.266 1.00 0.00 C ATOM 159 C GLY A 11 9.284 -13.951 0.268 1.00 0.00 C ATOM 160 O GLY A 11 9.556 -13.287 1.249 1.00 0.00 O ATOM 0 H GLY A 11 7.953 -14.624 -1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.505 -14.853 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.471 -15.978 0.225 1.00 0.00 H new ATOM 164 N GLN A 12 9.930 -13.907 -0.873 1.00 0.00 N ATOM 165 CA GLN A 12 11.092 -13.025 -1.169 1.00 0.00 C ATOM 166 C GLN A 12 10.763 -11.583 -0.736 1.00 0.00 C ATOM 167 O GLN A 12 11.627 -10.785 -0.433 1.00 0.00 O ATOM 168 CB GLN A 12 11.321 -13.144 -2.679 1.00 0.00 C ATOM 169 CG GLN A 12 12.741 -13.569 -3.000 1.00 0.00 C ATOM 170 CD GLN A 12 13.714 -12.400 -2.789 1.00 0.00 C ATOM 171 OE1 GLN A 12 13.929 -11.937 -1.687 1.00 0.00 O ATOM 172 NE2 GLN A 12 14.320 -11.894 -3.828 1.00 0.00 N ATOM 0 H GLN A 12 9.671 -14.496 -1.665 1.00 0.00 H new ATOM 0 HA GLN A 12 11.995 -13.309 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.621 -13.868 -3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.111 -12.186 -3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.028 -14.408 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.798 -13.916 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.145 -12.277 -4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 12 14.969 -11.116 -3.711 1.00 0.00 H new ATOM 181 N CYS A 13 9.477 -11.341 -0.739 1.00 0.00 N ATOM 182 CA CYS A 13 8.876 -10.031 -0.367 1.00 0.00 C ATOM 183 C CYS A 13 8.416 -10.030 1.099 1.00 0.00 C ATOM 184 O CYS A 13 8.558 -9.043 1.788 1.00 0.00 O ATOM 185 CB CYS A 13 7.706 -9.799 -1.312 1.00 0.00 C ATOM 186 SG CYS A 13 6.635 -8.380 -1.003 1.00 0.00 S ATOM 0 H CYS A 13 8.784 -12.043 -1.000 1.00 0.00 H new ATOM 0 HA CYS A 13 9.609 -9.229 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.106 -9.702 -2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.085 -10.695 -1.301 1.00 0.00 H new ATOM 191 N LEU A 14 7.873 -11.138 1.526 1.00 0.00 N ATOM 192 CA LEU A 14 7.374 -11.311 2.925 1.00 0.00 C ATOM 193 C LEU A 14 8.459 -11.050 3.970 1.00 0.00 C ATOM 194 O LEU A 14 8.211 -10.362 4.941 1.00 0.00 O ATOM 195 CB LEU A 14 6.813 -12.752 3.044 1.00 0.00 C ATOM 196 CG LEU A 14 6.174 -13.017 4.443 1.00 0.00 C ATOM 197 CD1 LEU A 14 5.085 -14.103 4.293 1.00 0.00 C ATOM 198 CD2 LEU A 14 7.226 -13.565 5.442 1.00 0.00 C ATOM 0 H LEU A 14 7.750 -11.963 0.940 1.00 0.00 H new ATOM 0 HA LEU A 14 6.594 -10.576 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.066 -12.915 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.615 -13.469 2.870 1.00 0.00 H new ATOM 0 HG LEU A 14 5.767 -12.076 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.630 -14.298 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.321 -13.758 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.535 -15.020 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.753 -13.741 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.635 -14.501 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.030 -12.839 5.558 1.00 0.00 H new ATOM 210 N LYS A 15 9.626 -11.600 3.746 1.00 0.00 N ATOM 211 CA LYS A 15 10.753 -11.425 4.680 1.00 0.00 C ATOM 212 C LYS A 15 11.090 -9.936 4.882 1.00 0.00 C ATOM 213 O LYS A 15 11.012 -9.471 5.998 1.00 0.00 O ATOM 214 CB LYS A 15 11.915 -12.236 4.083 1.00 0.00 C ATOM 215 CG LYS A 15 11.894 -13.707 4.578 1.00 0.00 C ATOM 216 CD LYS A 15 10.658 -14.455 4.029 1.00 0.00 C ATOM 217 CE LYS A 15 10.631 -15.889 4.570 1.00 0.00 C ATOM 218 NZ LYS A 15 9.429 -16.599 4.044 1.00 0.00 N ATOM 0 H LYS A 15 9.838 -12.175 2.931 1.00 0.00 H new ATOM 0 HA LYS A 15 10.517 -11.786 5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.853 -12.216 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.863 -11.772 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.804 -14.216 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.883 -13.728 5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.747 -13.931 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.685 -14.469 2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.537 -16.418 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.611 -15.877 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.606 -17.624 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.610 -16.393 4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.231 -16.276 3.075 1.00 0.00 H new ATOM 232 N PRO A 16 11.438 -9.206 3.847 1.00 0.00 N ATOM 233 CA PRO A 16 11.809 -7.771 3.998 1.00 0.00 C ATOM 234 C PRO A 16 10.592 -6.979 4.441 1.00 0.00 C ATOM 235 O PRO A 16 10.743 -6.027 5.175 1.00 0.00 O ATOM 236 CB PRO A 16 12.362 -7.388 2.619 1.00 0.00 C ATOM 237 CG PRO A 16 11.566 -8.305 1.660 1.00 0.00 C ATOM 238 CD PRO A 16 11.500 -9.652 2.423 1.00 0.00 C ATOM 0 HA PRO A 16 12.556 -7.563 4.764 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.199 -6.333 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.435 -7.566 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.571 -7.908 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.067 -8.412 0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.624 -10.237 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.374 -10.273 2.229 1.00 0.00 H new ATOM 246 N CYS A 17 9.428 -7.377 3.998 1.00 0.00 N ATOM 247 CA CYS A 17 8.203 -6.663 4.389 1.00 0.00 C ATOM 248 C CYS A 17 8.064 -6.662 5.909 1.00 0.00 C ATOM 249 O CYS A 17 8.118 -5.613 6.524 1.00 0.00 O ATOM 250 CB CYS A 17 7.035 -7.369 3.737 1.00 0.00 C ATOM 251 SG CYS A 17 6.699 -6.980 2.007 1.00 0.00 S ATOM 0 H CYS A 17 9.285 -8.174 3.378 1.00 0.00 H new ATOM 0 HA CYS A 17 8.236 -5.624 4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.203 -8.443 3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.139 -7.143 4.314 1.00 0.00 H new ATOM 256 N LYS A 18 7.902 -7.836 6.470 1.00 0.00 N ATOM 257 CA LYS A 18 7.752 -7.928 7.941 1.00 0.00 C ATOM 258 C LYS A 18 8.969 -7.315 8.616 1.00 0.00 C ATOM 259 O LYS A 18 8.790 -6.546 9.540 1.00 0.00 O ATOM 260 CB LYS A 18 7.523 -9.442 8.320 1.00 0.00 C ATOM 261 CG LYS A 18 8.710 -10.416 8.079 1.00 0.00 C ATOM 262 CD LYS A 18 9.782 -10.468 9.214 1.00 0.00 C ATOM 263 CE LYS A 18 9.199 -10.950 10.558 1.00 0.00 C ATOM 264 NZ LYS A 18 8.437 -9.858 11.229 1.00 0.00 N ATOM 0 H LYS A 18 7.868 -8.724 5.970 1.00 0.00 H new ATOM 0 HA LYS A 18 6.889 -7.364 8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.254 -9.490 9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.665 -9.807 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.310 -11.420 7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.205 -10.134 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.592 -11.133 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.216 -9.477 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.545 -11.805 10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.005 -11.289 11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.777 -9.747 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.577 -8.968 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.425 -10.097 11.240 1.00 0.00 H new ATOM 278 N ASP A 19 10.140 -7.658 8.120 1.00 0.00 N ATOM 279 CA ASP A 19 11.423 -7.124 8.695 1.00 0.00 C ATOM 280 C ASP A 19 11.548 -5.608 8.515 1.00 0.00 C ATOM 281 O ASP A 19 12.329 -4.978 9.202 1.00 0.00 O ATOM 282 CB ASP A 19 12.649 -7.811 8.024 1.00 0.00 C ATOM 283 CG ASP A 19 12.825 -9.261 8.535 1.00 0.00 C ATOM 284 OD1 ASP A 19 12.888 -9.410 9.747 1.00 0.00 O ATOM 285 OD2 ASP A 19 12.894 -10.148 7.702 1.00 0.00 O ATOM 0 H ASP A 19 10.262 -8.293 7.331 1.00 0.00 H new ATOM 0 HA ASP A 19 11.405 -7.346 9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.519 -7.817 6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.551 -7.236 8.233 1.00 0.00 H new ATOM 290 N ALA A 20 10.775 -5.069 7.605 1.00 0.00 N ATOM 291 CA ALA A 20 10.812 -3.586 7.363 1.00 0.00 C ATOM 292 C ALA A 20 9.640 -2.934 8.131 1.00 0.00 C ATOM 293 O ALA A 20 9.509 -1.724 8.139 1.00 0.00 O ATOM 294 CB ALA A 20 10.659 -3.293 5.857 1.00 0.00 C ATOM 0 H ALA A 20 10.120 -5.587 7.019 1.00 0.00 H new ATOM 0 HA ALA A 20 11.764 -3.182 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.687 -2.216 5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.475 -3.766 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.707 -3.690 5.504 1.00 0.00 H new ATOM 300 N GLY A 21 8.828 -3.761 8.748 1.00 0.00 N ATOM 301 CA GLY A 21 7.659 -3.316 9.545 1.00 0.00 C ATOM 302 C GLY A 21 6.290 -3.628 8.948 1.00 0.00 C ATOM 303 O GLY A 21 5.405 -2.794 9.009 1.00 0.00 O ATOM 0 H GLY A 21 8.943 -4.774 8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.718 -3.778 10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.733 -2.239 9.693 1.00 0.00 H new ATOM 307 N MET A 22 6.137 -4.803 8.390 1.00 0.00 N ATOM 308 CA MET A 22 4.850 -5.210 7.781 1.00 0.00 C ATOM 309 C MET A 22 4.430 -6.575 8.343 1.00 0.00 C ATOM 310 O MET A 22 4.935 -7.008 9.362 1.00 0.00 O ATOM 311 CB MET A 22 5.099 -5.256 6.307 1.00 0.00 C ATOM 312 CG MET A 22 5.650 -3.907 5.765 1.00 0.00 C ATOM 313 SD MET A 22 4.703 -2.391 6.062 1.00 0.00 S ATOM 314 CE MET A 22 4.108 -2.086 4.379 1.00 0.00 C ATOM 0 H MET A 22 6.872 -5.508 8.334 1.00 0.00 H new ATOM 0 HA MET A 22 4.036 -4.520 8.003 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.809 -6.053 6.084 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.171 -5.502 5.790 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.644 -3.763 6.189 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.775 -4.011 4.687 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.700 -1.077 4.314 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.935 -2.189 3.676 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.330 -2.808 4.132 1.00 0.00 H new ATOM 324 N ARG A 23 3.506 -7.202 7.658 1.00 0.00 N ATOM 325 CA ARG A 23 3.005 -8.534 8.068 1.00 0.00 C ATOM 326 C ARG A 23 3.411 -9.580 7.024 1.00 0.00 C ATOM 327 O ARG A 23 4.171 -10.476 7.341 1.00 0.00 O ATOM 328 CB ARG A 23 1.468 -8.565 8.186 1.00 0.00 C ATOM 329 CG ARG A 23 0.955 -7.642 9.307 1.00 0.00 C ATOM 330 CD ARG A 23 -0.466 -8.104 9.706 1.00 0.00 C ATOM 331 NE ARG A 23 -1.344 -8.148 8.492 1.00 0.00 N ATOM 332 CZ ARG A 23 -2.548 -7.636 8.482 1.00 0.00 C ATOM 333 NH1 ARG A 23 -3.236 -7.549 9.590 1.00 0.00 N ATOM 334 NH2 ARG A 23 -3.035 -7.224 7.347 1.00 0.00 N ATOM 0 H ARG A 23 3.073 -6.830 6.813 1.00 0.00 H new ATOM 0 HA ARG A 23 3.441 -8.752 9.043 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.026 -8.262 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.140 -9.586 8.379 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.623 -7.683 10.167 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.936 -6.607 8.967 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.421 -9.089 10.170 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.886 -7.422 10.446 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.991 -8.592 7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.835 -7.881 10.467 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.174 -7.149 9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.480 -7.305 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.971 -6.821 7.310 1.00 0.00 H new ATOM 348 N PHE A 24 2.904 -9.447 5.819 1.00 0.00 N ATOM 349 CA PHE A 24 3.254 -10.433 4.741 1.00 0.00 C ATOM 350 C PHE A 24 3.802 -9.731 3.494 1.00 0.00 C ATOM 351 O PHE A 24 3.889 -8.518 3.434 1.00 0.00 O ATOM 352 CB PHE A 24 2.010 -11.251 4.333 1.00 0.00 C ATOM 353 CG PHE A 24 1.067 -11.435 5.539 1.00 0.00 C ATOM 354 CD1 PHE A 24 1.455 -12.202 6.623 1.00 0.00 C ATOM 355 CD2 PHE A 24 -0.174 -10.826 5.561 1.00 0.00 C ATOM 356 CE1 PHE A 24 0.616 -12.356 7.709 1.00 0.00 C ATOM 357 CE2 PHE A 24 -1.013 -10.979 6.645 1.00 0.00 C ATOM 358 CZ PHE A 24 -0.617 -11.745 7.720 1.00 0.00 C ATOM 0 H PHE A 24 2.266 -8.703 5.535 1.00 0.00 H new ATOM 0 HA PHE A 24 4.022 -11.092 5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.483 -10.744 3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.317 -12.225 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.421 -12.684 6.620 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.490 -10.225 4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.928 -12.957 8.551 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.980 -10.499 6.651 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.273 -11.866 8.569 1.00 0.00 H new ATOM 368 N GLY A 25 4.135 -10.564 2.538 1.00 0.00 N ATOM 369 CA GLY A 25 4.693 -10.156 1.242 1.00 0.00 C ATOM 370 C GLY A 25 3.999 -10.764 0.029 1.00 0.00 C ATOM 371 O GLY A 25 3.462 -11.852 0.089 1.00 0.00 O ATOM 0 H GLY A 25 4.028 -11.574 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.642 -9.070 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.748 -10.429 1.214 1.00 0.00 H new ATOM 375 N LYS A 26 4.046 -10.013 -1.041 1.00 0.00 N ATOM 376 CA LYS A 26 3.437 -10.419 -2.333 1.00 0.00 C ATOM 377 C LYS A 26 4.388 -9.895 -3.404 1.00 0.00 C ATOM 378 O LYS A 26 4.863 -8.783 -3.275 1.00 0.00 O ATOM 379 CB LYS A 26 2.062 -9.757 -2.500 1.00 0.00 C ATOM 380 CG LYS A 26 1.090 -10.203 -1.383 1.00 0.00 C ATOM 381 CD LYS A 26 -0.239 -9.413 -1.483 1.00 0.00 C ATOM 382 CE LYS A 26 -0.920 -9.618 -2.850 1.00 0.00 C ATOM 383 NZ LYS A 26 -1.214 -11.062 -3.080 1.00 0.00 N ATOM 0 H LYS A 26 4.501 -9.100 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 26 3.295 -11.498 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.172 -8.673 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.646 -10.016 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.893 -11.272 -1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.546 -10.039 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.913 -9.733 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.044 -8.352 -1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.845 -9.042 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.274 -9.242 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.805 -11.165 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.323 -11.581 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.720 -11.449 -2.257 1.00 0.00 H new ATOM 397 N CYS A 27 4.651 -10.665 -4.426 1.00 0.00 N ATOM 398 CA CYS A 27 5.578 -10.154 -5.483 1.00 0.00 C ATOM 399 C CYS A 27 4.651 -9.676 -6.595 1.00 0.00 C ATOM 400 O CYS A 27 3.732 -10.389 -6.954 1.00 0.00 O ATOM 401 CB CYS A 27 6.475 -11.288 -5.965 1.00 0.00 C ATOM 402 SG CYS A 27 7.867 -10.751 -6.985 1.00 0.00 S ATOM 0 H CYS A 27 4.277 -11.602 -4.576 1.00 0.00 H new ATOM 0 HA CYS A 27 6.236 -9.359 -5.134 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.860 -11.825 -5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.873 -11.995 -6.536 1.00 0.00 H new ATOM 407 N ILE A 28 4.910 -8.496 -7.111 1.00 0.00 N ATOM 408 CA ILE A 28 4.013 -7.978 -8.205 1.00 0.00 C ATOM 409 C ILE A 28 4.630 -7.800 -9.593 1.00 0.00 C ATOM 410 O ILE A 28 4.423 -8.609 -10.478 1.00 0.00 O ATOM 411 CB ILE A 28 3.413 -6.618 -7.698 1.00 0.00 C ATOM 412 CG1 ILE A 28 2.658 -6.801 -6.344 1.00 0.00 C ATOM 413 CG2 ILE A 28 2.467 -5.980 -8.755 1.00 0.00 C ATOM 414 CD1 ILE A 28 1.458 -7.768 -6.439 1.00 0.00 C ATOM 0 H ILE A 28 5.677 -7.883 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 28 3.265 -8.752 -8.376 1.00 0.00 H new ATOM 0 HB ILE A 28 4.252 -5.941 -7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.356 -7.172 -5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.306 -5.829 -5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.071 -5.041 -8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.023 -5.789 -9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.643 -6.662 -8.965 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.978 -7.850 -5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.740 -7.387 -7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.807 -8.751 -6.755 1.00 0.00 H new ATOM 426 N ASN A 29 5.368 -6.739 -9.721 1.00 0.00 N ATOM 427 CA ASN A 29 6.046 -6.388 -11.010 1.00 0.00 C ATOM 428 C ASN A 29 7.564 -6.552 -10.918 1.00 0.00 C ATOM 429 O ASN A 29 8.308 -5.798 -11.518 1.00 0.00 O ATOM 430 CB ASN A 29 5.660 -4.931 -11.324 1.00 0.00 C ATOM 431 CG ASN A 29 6.013 -4.048 -10.109 1.00 0.00 C ATOM 432 OD1 ASN A 29 7.137 -4.015 -9.643 1.00 0.00 O ATOM 433 ND2 ASN A 29 5.076 -3.320 -9.567 1.00 0.00 N ATOM 0 H ASN A 29 5.539 -6.075 -8.966 1.00 0.00 H new ATOM 0 HA ASN A 29 5.725 -7.060 -11.806 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.191 -4.583 -12.210 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.595 -4.862 -11.543 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.289 -2.731 -8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.130 -3.339 -9.949 1.00 0.00 H new ATOM 440 N GLY A 30 7.978 -7.538 -10.170 1.00 0.00 N ATOM 441 CA GLY A 30 9.440 -7.778 -10.013 1.00 0.00 C ATOM 442 C GLY A 30 9.869 -7.179 -8.675 1.00 0.00 C ATOM 443 O GLY A 30 10.903 -7.538 -8.150 1.00 0.00 O ATOM 0 H GLY A 30 7.372 -8.184 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.657 -8.846 -10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.993 -7.319 -10.832 1.00 0.00 H new ATOM 447 N LYS A 31 9.052 -6.278 -8.170 1.00 0.00 N ATOM 448 CA LYS A 31 9.329 -5.605 -6.882 1.00 0.00 C ATOM 449 C LYS A 31 8.372 -6.189 -5.843 1.00 0.00 C ATOM 450 O LYS A 31 7.432 -6.888 -6.173 1.00 0.00 O ATOM 451 CB LYS A 31 9.097 -4.077 -7.050 1.00 0.00 C ATOM 452 CG LYS A 31 9.870 -3.277 -5.961 1.00 0.00 C ATOM 453 CD LYS A 31 9.552 -1.766 -6.048 1.00 0.00 C ATOM 454 CE LYS A 31 8.192 -1.455 -5.386 1.00 0.00 C ATOM 455 NZ LYS A 31 8.257 -1.729 -3.919 1.00 0.00 N ATOM 0 H LYS A 31 8.185 -5.983 -8.619 1.00 0.00 H new ATOM 0 HA LYS A 31 10.359 -5.761 -6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.425 -3.762 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.032 -3.857 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.603 -3.651 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.942 -3.434 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.340 -1.195 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.534 -1.453 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.926 -0.412 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.410 -2.062 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.667 -2.555 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.242 -1.921 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.907 -0.901 -3.395 1.00 0.00 H new ATOM 469 N CYS A 32 8.650 -5.867 -4.610 1.00 0.00 N ATOM 470 CA CYS A 32 7.808 -6.364 -3.478 1.00 0.00 C ATOM 471 C CYS A 32 6.621 -5.469 -3.143 1.00 0.00 C ATOM 472 O CYS A 32 6.657 -4.268 -3.317 1.00 0.00 O ATOM 473 CB CYS A 32 8.670 -6.462 -2.219 1.00 0.00 C ATOM 474 SG CYS A 32 7.916 -6.870 -0.627 1.00 0.00 S ATOM 0 H CYS A 32 9.432 -5.274 -4.333 1.00 0.00 H new ATOM 0 HA CYS A 32 7.416 -7.328 -3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.440 -7.209 -2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 32 9.177 -5.505 -2.100 1.00 0.00 H new ATOM 479 N ASP A 33 5.604 -6.138 -2.664 1.00 0.00 N ATOM 480 CA ASP A 33 4.335 -5.501 -2.252 1.00 0.00 C ATOM 481 C ASP A 33 3.993 -6.144 -0.909 1.00 0.00 C ATOM 482 O ASP A 33 3.884 -7.351 -0.853 1.00 0.00 O ATOM 483 CB ASP A 33 3.299 -5.819 -3.290 1.00 0.00 C ATOM 484 CG ASP A 33 1.982 -5.087 -2.977 1.00 0.00 C ATOM 485 OD1 ASP A 33 1.320 -5.538 -2.054 1.00 0.00 O ATOM 486 OD2 ASP A 33 1.714 -4.118 -3.669 1.00 0.00 O ATOM 0 H ASP A 33 5.612 -7.150 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 33 4.392 -4.416 -2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.660 -5.525 -4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.126 -6.895 -3.322 1.00 0.00 H new ATOM 491 N CYS A 34 3.816 -5.377 0.131 1.00 0.00 N ATOM 492 CA CYS A 34 3.487 -5.996 1.441 1.00 0.00 C ATOM 493 C CYS A 34 2.000 -5.924 1.752 1.00 0.00 C ATOM 494 O CYS A 34 1.268 -5.151 1.163 1.00 0.00 O ATOM 495 CB CYS A 34 4.279 -5.261 2.481 1.00 0.00 C ATOM 496 SG CYS A 34 6.041 -5.078 2.134 1.00 0.00 S ATOM 0 H CYS A 34 3.884 -4.359 0.130 1.00 0.00 H new ATOM 0 HA CYS A 34 3.741 -7.056 1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.847 -4.268 2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.166 -5.781 3.432 1.00 0.00 H new ATOM 501 N THR A 35 1.619 -6.759 2.686 1.00 0.00 N ATOM 502 CA THR A 35 0.204 -6.843 3.138 1.00 0.00 C ATOM 503 C THR A 35 0.165 -6.549 4.658 1.00 0.00 C ATOM 504 O THR A 35 -0.181 -7.411 5.441 1.00 0.00 O ATOM 505 CB THR A 35 -0.243 -8.251 2.781 1.00 0.00 C ATOM 506 OG1 THR A 35 -0.139 -8.303 1.365 1.00 0.00 O ATOM 507 CG2 THR A 35 -1.739 -8.502 3.062 1.00 0.00 C ATOM 0 H THR A 35 2.250 -7.402 3.164 1.00 0.00 H new ATOM 0 HA THR A 35 -0.466 -6.122 2.669 1.00 0.00 H new ATOM 0 HB THR A 35 0.350 -8.966 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.036 -8.338 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.994 -9.525 2.786 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.940 -8.352 4.123 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.341 -7.807 2.476 1.00 0.00 H new ATOM 515 N PRO A 36 0.521 -5.340 5.040 1.00 0.00 N ATOM 516 CA PRO A 36 0.721 -4.958 6.464 1.00 0.00 C ATOM 517 C PRO A 36 -0.609 -4.912 7.219 1.00 0.00 C ATOM 518 O PRO A 36 -1.662 -5.094 6.639 1.00 0.00 O ATOM 519 CB PRO A 36 1.409 -3.605 6.389 1.00 0.00 C ATOM 520 CG PRO A 36 0.731 -2.994 5.139 1.00 0.00 C ATOM 521 CD PRO A 36 0.768 -4.172 4.148 1.00 0.00 C ATOM 0 HA PRO A 36 1.319 -5.679 7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.239 -3.006 7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.488 -3.698 6.268 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.288 -2.667 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.274 -2.127 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.003 -4.080 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.728 -4.245 3.638 1.00 0.00 H new ATOM 529 N LYS A 37 -0.476 -4.661 8.495 1.00 0.00 N ATOM 530 CA LYS A 37 -1.627 -4.566 9.449 1.00 0.00 C ATOM 531 C LYS A 37 -2.954 -4.083 8.829 1.00 0.00 C ATOM 532 O LYS A 37 -3.989 -4.698 8.984 1.00 0.00 O ATOM 533 CB LYS A 37 -1.202 -3.627 10.614 1.00 0.00 C ATOM 534 CG LYS A 37 -0.778 -2.223 10.100 1.00 0.00 C ATOM 535 CD LYS A 37 -0.160 -1.350 11.228 1.00 0.00 C ATOM 536 CE LYS A 37 -1.180 -1.009 12.340 1.00 0.00 C ATOM 537 NZ LYS A 37 -1.472 -2.198 13.192 1.00 0.00 N ATOM 0 H LYS A 37 0.430 -4.510 8.938 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.842 -5.578 9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.029 -3.522 11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.375 -4.079 11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.055 -2.336 9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.646 -1.713 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.688 -1.876 11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.226 -0.426 10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.789 -0.202 12.960 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.104 -0.646 11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.424 -2.555 12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.771 -2.942 13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.424 -1.927 14.195 1.00 0.00 H new HETATM 551 N NH2 A 38 -2.967 -2.988 8.121 1.00 1.00 N TER 554 NH2 A 38