USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 259 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+ 169:sc= 0.21 (180deg=0.0534) USER MOD Single : A 5 GLN : amide:sc= -0.159 K(o=-0.16,f=-3!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.189 USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= -1.08 (180deg=-1.14) USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= -0.0681 (180deg=-2.61!) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc=-0.00528 (180deg=-0.117) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.317 USER MOD Single : A 30 ASN : amide:sc= -0.713 K(o=-0.71,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.381 -7.443 7.521 1.00 1.00 N ATOM 2 CA VAL A 1 3.382 -6.547 8.717 1.00 1.00 C ATOM 3 C VAL A 1 3.723 -5.106 8.351 1.00 1.00 C ATOM 4 O VAL A 1 3.945 -4.766 7.207 1.00 1.00 O ATOM 5 CB VAL A 1 4.415 -7.042 9.763 1.00 1.00 C ATOM 6 CG1 VAL A 1 4.017 -8.444 10.271 1.00 1.00 C ATOM 7 CG2 VAL A 1 5.840 -7.094 9.161 1.00 1.00 C ATOM 0 H1 VAL A 1 3.331 -8.435 7.830 1.00 1.00 H new ATOM 0 H2 VAL A 1 2.558 -7.224 6.924 1.00 1.00 H new ATOM 0 H3 VAL A 1 4.254 -7.295 6.975 1.00 1.00 H new ATOM 0 HA VAL A 1 2.374 -6.576 9.132 1.00 1.00 H new ATOM 0 HB VAL A 1 4.419 -6.337 10.594 1.00 1.00 H new ATOM 0 HG11 VAL A 1 4.747 -8.786 11.005 1.00 1.00 H new ATOM 0 HG12 VAL A 1 3.031 -8.397 10.734 1.00 1.00 H new ATOM 0 HG13 VAL A 1 3.992 -9.141 9.433 1.00 1.00 H new ATOM 0 HG21 VAL A 1 6.542 -7.444 9.918 1.00 1.00 H new ATOM 0 HG22 VAL A 1 5.851 -7.777 8.311 1.00 1.00 H new ATOM 0 HG23 VAL A 1 6.132 -6.097 8.829 1.00 1.00 H new ATOM 19 N VAL A 2 3.736 -4.308 9.382 1.00 1.00 N ATOM 20 CA VAL A 2 4.049 -2.853 9.262 1.00 1.00 C ATOM 21 C VAL A 2 5.538 -2.689 8.929 1.00 1.00 C ATOM 22 O VAL A 2 6.386 -3.155 9.663 1.00 1.00 O ATOM 23 CB VAL A 2 3.644 -2.188 10.628 1.00 1.00 C ATOM 24 CG1 VAL A 2 4.349 -2.848 11.843 1.00 1.00 C ATOM 25 CG2 VAL A 2 3.919 -0.669 10.660 1.00 1.00 C ATOM 0 H VAL A 2 3.536 -4.613 10.334 1.00 1.00 H new ATOM 0 HA VAL A 2 3.497 -2.365 8.459 1.00 1.00 H new ATOM 0 HB VAL A 2 2.569 -2.352 10.707 1.00 1.00 H new ATOM 0 HG11 VAL A 2 4.034 -2.351 12.761 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.080 -3.903 11.891 1.00 1.00 H new ATOM 0 HG13 VAL A 2 5.429 -2.754 11.732 1.00 1.00 H new ATOM 0 HG21 VAL A 2 3.620 -0.265 11.627 1.00 1.00 H new ATOM 0 HG22 VAL A 2 4.983 -0.488 10.505 1.00 1.00 H new ATOM 0 HG23 VAL A 2 3.349 -0.179 9.870 1.00 1.00 H new ATOM 35 N ILE A 3 5.806 -2.031 7.821 1.00 1.00 N ATOM 36 CA ILE A 3 7.236 -1.822 7.409 1.00 1.00 C ATOM 37 C ILE A 3 7.556 -0.376 7.026 1.00 1.00 C ATOM 38 O ILE A 3 6.693 0.414 6.693 1.00 1.00 O ATOM 39 CB ILE A 3 7.602 -2.776 6.182 1.00 1.00 C ATOM 40 CG1 ILE A 3 7.355 -2.116 4.783 1.00 1.00 C ATOM 41 CG2 ILE A 3 6.702 -4.021 6.242 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.912 -3.008 3.647 1.00 1.00 C ATOM 0 H ILE A 3 5.107 -1.635 7.192 1.00 1.00 H new ATOM 0 HA ILE A 3 7.839 -2.067 8.284 1.00 1.00 H new ATOM 0 HB ILE A 3 8.664 -3.004 6.276 1.00 1.00 H new ATOM 0 HG12 ILE A 3 6.287 -1.956 4.635 1.00 1.00 H new ATOM 0 HG13 ILE A 3 7.832 -1.136 4.749 1.00 1.00 H new ATOM 0 HG21 ILE A 3 6.940 -4.683 5.409 1.00 1.00 H new ATOM 0 HG22 ILE A 3 6.870 -4.546 7.182 1.00 1.00 H new ATOM 0 HG23 ILE A 3 5.657 -3.718 6.177 1.00 1.00 H new ATOM 0 HD11 ILE A 3 7.729 -2.529 2.685 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.984 -3.146 3.785 1.00 1.00 H new ATOM 0 HD13 ILE A 3 7.416 -3.978 3.670 1.00 1.00 H new ATOM 54 N GLY A 4 8.841 -0.133 7.102 1.00 1.00 N ATOM 55 CA GLY A 4 9.451 1.180 6.780 1.00 1.00 C ATOM 56 C GLY A 4 8.806 1.828 5.558 1.00 1.00 C ATOM 57 O GLY A 4 8.363 2.956 5.653 1.00 1.00 O ATOM 0 H GLY A 4 9.521 -0.836 7.391 1.00 1.00 H new ATOM 0 HA2 GLY A 4 9.352 1.845 7.638 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.518 1.049 6.600 1.00 1.00 H new ATOM 61 N GLN A 5 8.790 1.064 4.482 1.00 1.00 N ATOM 62 CA GLN A 5 8.208 1.475 3.156 1.00 1.00 C ATOM 63 C GLN A 5 7.337 2.721 3.251 1.00 1.00 C ATOM 64 O GLN A 5 6.135 2.641 3.403 1.00 1.00 O ATOM 65 CB GLN A 5 7.402 0.279 2.573 1.00 1.00 C ATOM 66 CG GLN A 5 6.621 0.616 1.264 1.00 1.00 C ATOM 67 CD GLN A 5 7.544 1.161 0.172 1.00 1.00 C ATOM 68 OE1 GLN A 5 8.067 2.253 0.268 1.00 1.00 O ATOM 69 NE2 GLN A 5 7.775 0.431 -0.873 1.00 1.00 N ATOM 0 H GLN A 5 9.179 0.121 4.473 1.00 1.00 H new ATOM 0 HA GLN A 5 9.031 1.737 2.491 1.00 1.00 H new ATOM 0 HB2 GLN A 5 8.088 -0.544 2.373 1.00 1.00 H new ATOM 0 HB3 GLN A 5 6.695 -0.071 3.326 1.00 1.00 H new ATOM 0 HG2 GLN A 5 6.118 -0.280 0.900 1.00 1.00 H new ATOM 0 HG3 GLN A 5 5.845 1.350 1.483 1.00 1.00 H new ATOM 0 HE21 GLN A 5 7.339 -0.487 -0.960 1.00 1.00 H new ATOM 0 HE22 GLN A 5 8.393 0.774 -1.609 1.00 1.00 H new ATOM 78 N ARG A 6 8.011 3.841 3.170 1.00 1.00 N ATOM 79 CA ARG A 6 7.331 5.164 3.245 1.00 1.00 C ATOM 80 C ARG A 6 6.005 5.182 2.479 1.00 1.00 C ATOM 81 O ARG A 6 5.876 4.544 1.451 1.00 1.00 O ATOM 82 CB ARG A 6 8.279 6.248 2.683 1.00 1.00 C ATOM 83 CG ARG A 6 8.602 5.979 1.192 1.00 1.00 C ATOM 84 CD ARG A 6 9.582 7.047 0.669 1.00 1.00 C ATOM 85 NE ARG A 6 10.842 6.974 1.470 1.00 1.00 N ATOM 86 CZ ARG A 6 11.974 6.696 0.883 1.00 1.00 C ATOM 87 NH1 ARG A 6 12.303 5.445 0.709 1.00 1.00 N ATOM 88 NH2 ARG A 6 12.739 7.678 0.494 1.00 1.00 N ATOM 0 H ARG A 6 9.023 3.891 3.053 1.00 1.00 H new ATOM 0 HA ARG A 6 7.098 5.365 4.291 1.00 1.00 H new ATOM 0 HB2 ARG A 6 7.818 7.230 2.788 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.202 6.265 3.262 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.037 4.986 1.078 1.00 1.00 H new ATOM 0 HG3 ARG A 6 7.685 5.994 0.603 1.00 1.00 H new ATOM 0 HD2 ARG A 6 9.795 6.880 -0.387 1.00 1.00 H new ATOM 0 HD3 ARG A 6 9.139 8.039 0.751 1.00 1.00 H new ATOM 0 HE ARG A 6 10.817 7.142 2.476 1.00 1.00 H new ATOM 0 HH11 ARG A 6 11.679 4.704 1.030 1.00 1.00 H new ATOM 0 HH12 ARG A 6 13.184 5.208 0.252 1.00 1.00 H new ATOM 0 HH21 ARG A 6 12.449 8.643 0.650 1.00 1.00 H new ATOM 0 HH22 ARG A 6 13.627 7.481 0.033 1.00 1.00 H new ATOM 102 N CYS A 7 5.071 5.918 3.011 1.00 1.00 N ATOM 103 CA CYS A 7 3.741 6.019 2.362 1.00 1.00 C ATOM 104 C CYS A 7 3.453 7.435 1.865 1.00 1.00 C ATOM 105 O CYS A 7 3.890 8.411 2.443 1.00 1.00 O ATOM 106 CB CYS A 7 2.649 5.621 3.346 1.00 1.00 C ATOM 107 SG CYS A 7 0.976 6.013 2.786 1.00 1.00 S ATOM 0 H CYS A 7 5.175 6.456 3.872 1.00 1.00 H new ATOM 0 HA CYS A 7 3.751 5.345 1.506 1.00 1.00 H new ATOM 0 HB2 CYS A 7 2.716 4.549 3.534 1.00 1.00 H new ATOM 0 HB3 CYS A 7 2.830 6.123 4.296 1.00 1.00 H new ATOM 112 N TYR A 8 2.711 7.467 0.790 1.00 1.00 N ATOM 113 CA TYR A 8 2.299 8.737 0.132 1.00 1.00 C ATOM 114 C TYR A 8 0.771 8.650 0.119 1.00 1.00 C ATOM 115 O TYR A 8 0.080 9.523 0.610 1.00 1.00 O ATOM 116 CB TYR A 8 2.883 8.739 -1.264 1.00 1.00 C ATOM 117 CG TYR A 8 2.931 10.157 -1.854 1.00 1.00 C ATOM 118 CD1 TYR A 8 1.768 10.852 -2.133 1.00 1.00 C ATOM 119 CD2 TYR A 8 4.146 10.762 -2.113 1.00 1.00 C ATOM 120 CE1 TYR A 8 1.821 12.125 -2.662 1.00 1.00 C ATOM 121 CE2 TYR A 8 4.197 12.035 -2.642 1.00 1.00 C ATOM 122 CZ TYR A 8 3.037 12.726 -2.922 1.00 1.00 C ATOM 123 OH TYR A 8 3.085 13.999 -3.453 1.00 1.00 O ATOM 0 H TYR A 8 2.361 6.629 0.325 1.00 1.00 H new ATOM 0 HA TYR A 8 2.636 9.650 0.623 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.889 8.320 -1.239 1.00 1.00 H new ATOM 0 HB3 TYR A 8 2.286 8.095 -1.910 1.00 1.00 H new ATOM 0 HD1 TYR A 8 0.810 10.394 -1.935 1.00 1.00 H new ATOM 0 HD2 TYR A 8 5.063 10.234 -1.899 1.00 1.00 H new ATOM 0 HE1 TYR A 8 0.905 12.656 -2.874 1.00 1.00 H new ATOM 0 HE2 TYR A 8 5.154 12.495 -2.839 1.00 1.00 H new ATOM 0 HH TYR A 8 4.020 14.269 -3.572 1.00 1.00 H new ATOM 133 N ARG A 9 0.318 7.563 -0.451 1.00 1.00 N ATOM 134 CA ARG A 9 -1.138 7.274 -0.565 1.00 1.00 C ATOM 135 C ARG A 9 -1.424 5.995 0.235 1.00 1.00 C ATOM 136 O ARG A 9 -0.531 5.185 0.403 1.00 1.00 O ATOM 137 CB ARG A 9 -1.580 6.982 -2.025 1.00 1.00 C ATOM 138 CG ARG A 9 -0.740 7.665 -3.131 1.00 1.00 C ATOM 139 CD ARG A 9 0.522 6.843 -3.441 1.00 1.00 C ATOM 140 NE ARG A 9 0.139 5.459 -3.852 1.00 1.00 N ATOM 141 CZ ARG A 9 0.534 4.975 -4.994 1.00 1.00 C ATOM 142 NH1 ARG A 9 1.696 4.387 -5.056 1.00 1.00 N ATOM 143 NH2 ARG A 9 -0.236 5.096 -6.036 1.00 1.00 N ATOM 0 H ARG A 9 0.919 6.844 -0.854 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.675 8.150 -0.202 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.550 5.904 -2.185 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -2.619 7.293 -2.139 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.340 7.775 -4.035 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.457 8.668 -2.812 1.00 1.00 H new ATOM 0 HD2 ARG A 9 1.093 7.323 -4.236 1.00 1.00 H new ATOM 0 HD3 ARG A 9 1.167 6.806 -2.563 1.00 1.00 H new ATOM 0 HE ARG A 9 -0.437 4.889 -3.233 1.00 1.00 H new ATOM 0 HH11 ARG A 9 2.276 4.313 -4.220 1.00 1.00 H new ATOM 0 HH12 ARG A 9 2.025 4.001 -5.941 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -1.137 5.566 -5.952 1.00 1.00 H new ATOM 0 HH22 ARG A 9 0.062 4.721 -6.937 1.00 1.00 H new ATOM 157 N SER A 10 -2.642 5.864 0.700 1.00 1.00 N ATOM 158 CA SER A 10 -3.084 4.669 1.500 1.00 1.00 C ATOM 159 C SER A 10 -2.318 3.372 1.170 1.00 1.00 C ATOM 160 O SER A 10 -1.750 2.776 2.066 1.00 1.00 O ATOM 161 CB SER A 10 -4.599 4.427 1.278 1.00 1.00 C ATOM 162 OG SER A 10 -5.242 5.558 1.849 1.00 1.00 O ATOM 0 H SER A 10 -3.375 6.558 0.555 1.00 1.00 H new ATOM 0 HA SER A 10 -2.865 4.907 2.541 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.832 4.335 0.217 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.925 3.504 1.758 1.00 1.00 H new ATOM 0 HG SER A 10 -6.212 5.471 1.742 1.00 1.00 H new ATOM 168 N PRO A 11 -2.312 2.959 -0.073 1.00 1.00 N ATOM 169 CA PRO A 11 -1.444 1.846 -0.525 1.00 1.00 C ATOM 170 C PRO A 11 0.045 2.189 -0.421 1.00 1.00 C ATOM 171 O PRO A 11 0.630 1.964 0.615 1.00 1.00 O ATOM 172 CB PRO A 11 -1.926 1.575 -1.961 1.00 1.00 C ATOM 173 CG PRO A 11 -2.371 2.976 -2.433 1.00 1.00 C ATOM 174 CD PRO A 11 -3.126 3.487 -1.212 1.00 1.00 C ATOM 0 HA PRO A 11 -1.526 0.956 0.099 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.131 1.170 -2.586 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.747 0.859 -1.985 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.522 3.612 -2.685 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -3.007 2.927 -3.317 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.183 4.575 -1.198 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -4.150 3.114 -1.184 1.00 1.00 H new ATOM 182 N ASP A 12 0.590 2.729 -1.486 1.00 1.00 N ATOM 183 CA ASP A 12 2.039 3.129 -1.596 1.00 1.00 C ATOM 184 C ASP A 12 2.922 2.110 -0.841 1.00 1.00 C ATOM 185 O ASP A 12 3.936 2.413 -0.241 1.00 1.00 O ATOM 186 CB ASP A 12 2.178 4.550 -1.003 1.00 1.00 C ATOM 187 CG ASP A 12 3.446 5.236 -1.550 1.00 1.00 C ATOM 188 OD1 ASP A 12 3.438 5.509 -2.740 1.00 1.00 O ATOM 189 OD2 ASP A 12 4.350 5.453 -0.763 1.00 1.00 O ATOM 0 H ASP A 12 0.058 2.921 -2.335 1.00 1.00 H new ATOM 0 HA ASP A 12 2.369 3.135 -2.635 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.299 5.143 -1.253 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.227 4.495 0.085 1.00 1.00 H new ATOM 194 N CYS A 13 2.425 0.909 -0.949 1.00 1.00 N ATOM 195 CA CYS A 13 3.005 -0.315 -0.345 1.00 1.00 C ATOM 196 C CYS A 13 2.328 -1.590 -0.908 1.00 1.00 C ATOM 197 O CYS A 13 2.949 -2.633 -0.906 1.00 1.00 O ATOM 198 CB CYS A 13 2.808 -0.284 1.154 1.00 1.00 C ATOM 199 SG CYS A 13 3.601 -1.631 2.064 1.00 1.00 S ATOM 0 H CYS A 13 1.572 0.721 -1.476 1.00 1.00 H new ATOM 0 HA CYS A 13 4.067 -0.340 -0.590 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.189 0.664 1.535 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.739 -0.305 1.364 1.00 1.00 H new ATOM 204 N TYR A 14 1.094 -1.484 -1.361 1.00 1.00 N ATOM 205 CA TYR A 14 0.332 -2.642 -1.933 1.00 1.00 C ATOM 206 C TYR A 14 1.223 -3.546 -2.772 1.00 1.00 C ATOM 207 O TYR A 14 1.326 -4.721 -2.492 1.00 1.00 O ATOM 208 CB TYR A 14 -0.804 -2.089 -2.802 1.00 1.00 C ATOM 209 CG TYR A 14 -2.071 -1.712 -1.993 1.00 1.00 C ATOM 210 CD1 TYR A 14 -2.054 -1.519 -0.624 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.270 -1.561 -2.667 1.00 1.00 C ATOM 212 CE1 TYR A 14 -3.207 -1.190 0.046 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.423 -1.231 -1.987 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.399 -1.042 -0.622 1.00 1.00 C ATOM 215 OH TYR A 14 -5.549 -0.710 0.059 1.00 1.00 O ATOM 0 H TYR A 14 0.569 -0.609 -1.355 1.00 1.00 H new ATOM 0 HA TYR A 14 -0.061 -3.242 -1.112 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.447 -1.208 -3.336 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -1.070 -2.831 -3.554 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.128 -1.628 -0.078 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.303 -1.703 -3.737 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -3.176 -1.045 1.116 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.351 -1.120 -2.528 1.00 1.00 H new ATOM 0 HH TYR A 14 -6.296 -0.646 -0.572 1.00 1.00 H new ATOM 225 N SER A 15 1.820 -2.968 -3.776 1.00 1.00 N ATOM 226 CA SER A 15 2.740 -3.731 -4.683 1.00 1.00 C ATOM 227 C SER A 15 3.712 -4.618 -3.867 1.00 1.00 C ATOM 228 O SER A 15 3.927 -5.776 -4.176 1.00 1.00 O ATOM 229 CB SER A 15 3.522 -2.720 -5.538 1.00 1.00 C ATOM 230 OG SER A 15 4.174 -1.873 -4.600 1.00 1.00 O ATOM 0 H SER A 15 1.711 -1.982 -4.015 1.00 1.00 H new ATOM 0 HA SER A 15 2.157 -4.392 -5.324 1.00 1.00 H new ATOM 0 HB2 SER A 15 4.242 -3.222 -6.184 1.00 1.00 H new ATOM 0 HB3 SER A 15 2.855 -2.152 -6.186 1.00 1.00 H new ATOM 0 HG SER A 15 4.699 -1.198 -5.079 1.00 1.00 H new ATOM 236 N ALA A 16 4.259 -4.018 -2.837 1.00 1.00 N ATOM 237 CA ALA A 16 5.223 -4.723 -1.936 1.00 1.00 C ATOM 238 C ALA A 16 4.528 -5.844 -1.152 1.00 1.00 C ATOM 239 O ALA A 16 5.018 -6.949 -1.031 1.00 1.00 O ATOM 240 CB ALA A 16 5.841 -3.710 -0.950 1.00 1.00 C ATOM 0 H ALA A 16 4.073 -3.049 -2.579 1.00 1.00 H new ATOM 0 HA ALA A 16 6.005 -5.169 -2.551 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.543 -4.223 -0.293 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.366 -2.934 -1.507 1.00 1.00 H new ATOM 0 HB3 ALA A 16 5.051 -3.256 -0.352 1.00 1.00 H new ATOM 246 N CYS A 17 3.376 -5.512 -0.644 1.00 1.00 N ATOM 247 CA CYS A 17 2.552 -6.439 0.139 1.00 1.00 C ATOM 248 C CYS A 17 2.154 -7.601 -0.764 1.00 1.00 C ATOM 249 O CYS A 17 2.001 -8.721 -0.331 1.00 1.00 O ATOM 250 CB CYS A 17 1.373 -5.628 0.625 1.00 1.00 C ATOM 251 SG CYS A 17 1.546 -4.555 2.075 1.00 1.00 S ATOM 0 H CYS A 17 2.963 -4.586 -0.753 1.00 1.00 H new ATOM 0 HA CYS A 17 3.064 -6.873 0.998 1.00 1.00 H new ATOM 0 HB2 CYS A 17 1.047 -5.001 -0.205 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.563 -6.327 0.834 1.00 1.00 H new ATOM 256 N LYS A 18 1.991 -7.306 -2.024 1.00 1.00 N ATOM 257 CA LYS A 18 1.613 -8.350 -2.988 1.00 1.00 C ATOM 258 C LYS A 18 2.814 -9.267 -3.154 1.00 1.00 C ATOM 259 O LYS A 18 2.698 -10.468 -3.015 1.00 1.00 O ATOM 260 CB LYS A 18 1.257 -7.700 -4.330 1.00 1.00 C ATOM 261 CG LYS A 18 0.672 -8.758 -5.294 1.00 1.00 C ATOM 262 CD LYS A 18 0.374 -8.143 -6.680 1.00 1.00 C ATOM 263 CE LYS A 18 -0.754 -7.103 -6.600 1.00 1.00 C ATOM 264 NZ LYS A 18 -2.007 -7.739 -6.103 1.00 1.00 N ATOM 0 H LYS A 18 2.107 -6.374 -2.421 1.00 1.00 H new ATOM 0 HA LYS A 18 0.748 -8.914 -2.639 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.534 -6.899 -4.175 1.00 1.00 H new ATOM 0 HB3 LYS A 18 2.145 -7.247 -4.770 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.375 -9.584 -5.403 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.244 -9.172 -4.872 1.00 1.00 H new ATOM 0 HD2 LYS A 18 1.276 -7.674 -7.074 1.00 1.00 H new ATOM 0 HD3 LYS A 18 0.095 -8.932 -7.378 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -0.462 -6.290 -5.935 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -0.925 -6.665 -7.583 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.771 -7.034 -6.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -2.273 -8.522 -6.734 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -1.853 -8.106 -5.142 1.00 1.00 H new ATOM 278 N LYS A 19 3.939 -8.665 -3.451 1.00 1.00 N ATOM 279 CA LYS A 19 5.160 -9.519 -3.627 1.00 1.00 C ATOM 280 C LYS A 19 5.652 -10.096 -2.279 1.00 1.00 C ATOM 281 O LYS A 19 6.495 -10.973 -2.277 1.00 1.00 O ATOM 282 CB LYS A 19 6.278 -8.678 -4.348 1.00 1.00 C ATOM 283 CG LYS A 19 6.791 -7.459 -3.578 1.00 1.00 C ATOM 284 CD LYS A 19 7.866 -7.853 -2.538 1.00 1.00 C ATOM 285 CE LYS A 19 8.397 -6.585 -1.845 1.00 1.00 C ATOM 286 NZ LYS A 19 9.425 -6.954 -0.841 1.00 1.00 N ATOM 0 H LYS A 19 4.067 -7.661 -3.576 1.00 1.00 H new ATOM 0 HA LYS A 19 4.908 -10.377 -4.250 1.00 1.00 H new ATOM 0 HB2 LYS A 19 7.123 -9.334 -4.557 1.00 1.00 H new ATOM 0 HB3 LYS A 19 5.890 -8.341 -5.309 1.00 1.00 H new ATOM 0 HG2 LYS A 19 7.209 -6.735 -4.278 1.00 1.00 H new ATOM 0 HG3 LYS A 19 5.958 -6.970 -3.073 1.00 1.00 H new ATOM 0 HD2 LYS A 19 7.441 -8.533 -1.800 1.00 1.00 H new ATOM 0 HD3 LYS A 19 8.684 -8.383 -3.027 1.00 1.00 H new ATOM 0 HE2 LYS A 19 8.824 -5.907 -2.584 1.00 1.00 H new ATOM 0 HE3 LYS A 19 7.577 -6.054 -1.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 9.253 -6.429 0.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 9.374 -7.975 -0.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 10.369 -6.716 -1.207 1.00 1.00 H new ATOM 300 N LEU A 20 5.126 -9.598 -1.179 1.00 1.00 N ATOM 301 CA LEU A 20 5.546 -10.108 0.169 1.00 1.00 C ATOM 302 C LEU A 20 4.623 -11.224 0.681 1.00 1.00 C ATOM 303 O LEU A 20 5.103 -12.293 1.005 1.00 1.00 O ATOM 304 CB LEU A 20 5.533 -8.955 1.207 1.00 1.00 C ATOM 305 CG LEU A 20 6.778 -8.032 1.071 1.00 1.00 C ATOM 306 CD1 LEU A 20 6.568 -6.774 1.938 1.00 1.00 C ATOM 307 CD2 LEU A 20 8.041 -8.767 1.567 1.00 1.00 C ATOM 0 H LEU A 20 4.423 -8.859 -1.158 1.00 1.00 H new ATOM 0 HA LEU A 20 6.552 -10.511 0.051 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.627 -8.362 1.079 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.501 -9.374 2.213 1.00 1.00 H new ATOM 0 HG LEU A 20 6.905 -7.758 0.024 1.00 1.00 H new ATOM 0 HD11 LEU A 20 7.436 -6.121 1.848 1.00 1.00 H new ATOM 0 HD12 LEU A 20 5.678 -6.243 1.599 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.441 -7.067 2.980 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.906 -8.112 1.467 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.914 -9.043 2.614 1.00 1.00 H new ATOM 0 HD23 LEU A 20 8.196 -9.666 0.971 1.00 1.00 H new ATOM 319 N VAL A 21 3.340 -10.963 0.744 1.00 1.00 N ATOM 320 CA VAL A 21 2.356 -11.958 1.223 1.00 1.00 C ATOM 321 C VAL A 21 1.465 -12.494 0.092 1.00 1.00 C ATOM 322 O VAL A 21 0.888 -13.554 0.256 1.00 1.00 O ATOM 323 CB VAL A 21 1.504 -11.292 2.329 1.00 1.00 C ATOM 324 CG1 VAL A 21 2.326 -11.219 3.636 1.00 1.00 C ATOM 325 CG2 VAL A 21 1.020 -9.874 1.990 1.00 1.00 C ATOM 0 H VAL A 21 2.931 -10.069 0.472 1.00 1.00 H new ATOM 0 HA VAL A 21 2.889 -12.822 1.618 1.00 1.00 H new ATOM 0 HB VAL A 21 0.616 -11.916 2.433 1.00 1.00 H new ATOM 0 HG11 VAL A 21 1.727 -10.750 4.417 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.604 -12.226 3.948 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.227 -10.630 3.467 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.431 -9.483 2.819 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.880 -9.227 1.819 1.00 1.00 H new ATOM 0 HG23 VAL A 21 0.405 -9.905 1.091 1.00 1.00 H new ATOM 335 N GLY A 22 1.366 -11.780 -1.001 1.00 1.00 N ATOM 336 CA GLY A 22 0.520 -12.258 -2.133 1.00 1.00 C ATOM 337 C GLY A 22 -0.451 -11.261 -2.770 1.00 1.00 C ATOM 338 O GLY A 22 -0.672 -11.350 -3.963 1.00 1.00 O ATOM 0 H GLY A 22 1.835 -10.888 -1.157 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.184 -12.625 -2.916 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -0.060 -13.111 -1.781 1.00 1.00 H new ATOM 342 N LYS A 23 -1.010 -10.357 -2.003 1.00 1.00 N ATOM 343 CA LYS A 23 -1.981 -9.367 -2.583 1.00 1.00 C ATOM 344 C LYS A 23 -1.690 -7.893 -2.265 1.00 1.00 C ATOM 345 O LYS A 23 -0.940 -7.575 -1.362 1.00 1.00 O ATOM 346 CB LYS A 23 -3.410 -9.728 -2.080 1.00 1.00 C ATOM 347 CG LYS A 23 -3.661 -9.405 -0.571 1.00 1.00 C ATOM 348 CD LYS A 23 -2.718 -10.151 0.408 1.00 1.00 C ATOM 349 CE LYS A 23 -2.787 -11.684 0.223 1.00 1.00 C ATOM 350 NZ LYS A 23 -4.176 -12.171 0.453 1.00 1.00 N ATOM 0 H LYS A 23 -0.839 -10.259 -1.002 1.00 1.00 H new ATOM 0 HA LYS A 23 -1.884 -9.449 -3.666 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -4.141 -9.188 -2.682 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -3.583 -10.791 -2.246 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -3.549 -8.332 -0.418 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.693 -9.656 -0.325 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -1.693 -9.813 0.253 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -2.986 -9.897 1.434 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -2.463 -11.951 -0.783 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -2.104 -12.172 0.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -4.183 -13.211 0.460 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -4.521 -11.817 1.368 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -4.795 -11.826 -0.308 1.00 1.00 H new ATOM 364 N ALA A 24 -2.319 -7.057 -3.055 1.00 1.00 N ATOM 365 CA ALA A 24 -2.208 -5.567 -2.946 1.00 1.00 C ATOM 366 C ALA A 24 -2.943 -5.052 -1.692 1.00 1.00 C ATOM 367 O ALA A 24 -3.978 -4.418 -1.790 1.00 1.00 O ATOM 368 CB ALA A 24 -2.808 -4.955 -4.230 1.00 1.00 C ATOM 0 H ALA A 24 -2.935 -7.364 -3.808 1.00 1.00 H new ATOM 0 HA ALA A 24 -1.163 -5.273 -2.844 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.742 -3.868 -4.180 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -2.253 -5.313 -5.097 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.853 -5.251 -4.320 1.00 1.00 H new ATOM 374 N THR A 25 -2.382 -5.342 -0.549 1.00 1.00 N ATOM 375 CA THR A 25 -2.986 -4.909 0.746 1.00 1.00 C ATOM 376 C THR A 25 -2.007 -4.044 1.535 1.00 1.00 C ATOM 377 O THR A 25 -0.916 -3.749 1.092 1.00 1.00 O ATOM 378 CB THR A 25 -3.379 -6.190 1.543 1.00 1.00 C ATOM 379 OG1 THR A 25 -3.947 -5.796 2.786 1.00 1.00 O ATOM 380 CG2 THR A 25 -2.156 -7.065 1.906 1.00 1.00 C ATOM 0 H THR A 25 -1.515 -5.870 -0.456 1.00 1.00 H new ATOM 0 HA THR A 25 -3.872 -4.301 0.566 1.00 1.00 H new ATOM 0 HB THR A 25 -4.062 -6.756 0.909 1.00 1.00 H new ATOM 0 HG1 THR A 25 -4.200 -6.593 3.297 1.00 1.00 H new ATOM 0 HG21 THR A 25 -2.488 -7.943 2.460 1.00 1.00 H new ATOM 0 HG22 THR A 25 -1.651 -7.381 0.993 1.00 1.00 H new ATOM 0 HG23 THR A 25 -1.465 -6.488 2.521 1.00 1.00 H new ATOM 388 N GLY A 26 -2.474 -3.677 2.694 1.00 1.00 N ATOM 389 CA GLY A 26 -1.688 -2.830 3.636 1.00 1.00 C ATOM 390 C GLY A 26 -2.401 -1.518 3.961 1.00 1.00 C ATOM 391 O GLY A 26 -3.442 -1.206 3.415 1.00 1.00 O ATOM 0 H GLY A 26 -3.398 -3.937 3.039 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -1.510 -3.383 4.558 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -0.712 -2.614 3.201 1.00 1.00 H new ATOM 395 N LYS A 27 -1.795 -0.800 4.868 1.00 1.00 N ATOM 396 CA LYS A 27 -2.324 0.505 5.325 1.00 1.00 C ATOM 397 C LYS A 27 -1.165 1.515 5.364 1.00 1.00 C ATOM 398 O LYS A 27 -0.010 1.157 5.279 1.00 1.00 O ATOM 399 CB LYS A 27 -2.963 0.266 6.722 1.00 1.00 C ATOM 400 CG LYS A 27 -3.472 1.578 7.388 1.00 1.00 C ATOM 401 CD LYS A 27 -3.955 1.318 8.837 1.00 1.00 C ATOM 402 CE LYS A 27 -5.103 0.291 8.879 1.00 1.00 C ATOM 403 NZ LYS A 27 -5.549 0.101 10.288 1.00 1.00 N ATOM 0 H LYS A 27 -0.926 -1.080 5.322 1.00 1.00 H new ATOM 0 HA LYS A 27 -3.083 0.915 4.658 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -3.795 -0.431 6.621 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -2.229 -0.206 7.375 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -2.673 2.319 7.395 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -4.288 1.995 6.799 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -3.121 0.957 9.439 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.288 2.255 9.283 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -5.936 0.636 8.266 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -4.771 -0.659 8.460 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -6.324 -0.592 10.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -4.753 -0.246 10.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -5.882 1.008 10.672 1.00 1.00 H new ATOM 417 N CYS A 28 -1.539 2.760 5.501 1.00 1.00 N ATOM 418 CA CYS A 28 -0.567 3.889 5.566 1.00 1.00 C ATOM 419 C CYS A 28 -0.602 4.350 7.009 1.00 1.00 C ATOM 420 O CYS A 28 -1.571 4.912 7.485 1.00 1.00 O ATOM 421 CB CYS A 28 -1.031 4.974 4.654 1.00 1.00 C ATOM 422 SG CYS A 28 -0.042 6.473 4.457 1.00 1.00 S ATOM 0 H CYS A 28 -2.515 3.049 5.573 1.00 1.00 H new ATOM 0 HA CYS A 28 0.441 3.608 5.262 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -1.154 4.535 3.664 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -2.021 5.281 4.992 1.00 1.00 H new ATOM 427 N THR A 29 0.481 4.068 7.645 1.00 1.00 N ATOM 428 CA THR A 29 0.635 4.436 9.094 1.00 1.00 C ATOM 429 C THR A 29 1.931 5.192 9.355 1.00 1.00 C ATOM 430 O THR A 29 3.009 4.723 9.057 1.00 1.00 O ATOM 431 CB THR A 29 0.602 3.160 9.899 1.00 1.00 C ATOM 432 OG1 THR A 29 -0.657 2.585 9.592 1.00 1.00 O ATOM 433 CG2 THR A 29 0.557 3.399 11.406 1.00 1.00 C ATOM 0 H THR A 29 1.285 3.593 7.234 1.00 1.00 H new ATOM 0 HA THR A 29 -0.178 5.101 9.384 1.00 1.00 H new ATOM 0 HB THR A 29 1.488 2.570 9.664 1.00 1.00 H new ATOM 0 HG1 THR A 29 -0.828 1.831 10.194 1.00 1.00 H new ATOM 0 HG21 THR A 29 0.535 2.441 11.926 1.00 1.00 H new ATOM 0 HG22 THR A 29 1.441 3.958 11.712 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.337 3.969 11.657 1.00 1.00 H new ATOM 441 N ASN A 30 1.738 6.342 9.938 1.00 1.00 N ATOM 442 CA ASN A 30 2.838 7.292 10.296 1.00 1.00 C ATOM 443 C ASN A 30 3.854 7.436 9.146 1.00 1.00 C ATOM 444 O ASN A 30 5.054 7.471 9.340 1.00 1.00 O ATOM 445 CB ASN A 30 3.534 6.770 11.574 1.00 1.00 C ATOM 446 CG ASN A 30 2.524 6.714 12.732 1.00 1.00 C ATOM 447 OD1 ASN A 30 1.925 7.704 13.100 1.00 1.00 O ATOM 448 ND2 ASN A 30 2.311 5.576 13.334 1.00 1.00 N ATOM 0 H ASN A 30 0.811 6.682 10.196 1.00 1.00 H new ATOM 0 HA ASN A 30 2.416 8.281 10.475 1.00 1.00 H new ATOM 0 HB2 ASN A 30 3.949 5.779 11.394 1.00 1.00 H new ATOM 0 HB3 ASN A 30 4.367 7.422 11.837 1.00 1.00 H new ATOM 0 HD21 ASN A 30 1.646 5.524 14.106 1.00 1.00 H new ATOM 0 HD22 ASN A 30 2.809 4.738 13.033 1.00 1.00 H new ATOM 455 N GLY A 31 3.297 7.522 7.962 1.00 1.00 N ATOM 456 CA GLY A 31 4.082 7.665 6.711 1.00 1.00 C ATOM 457 C GLY A 31 4.961 6.451 6.399 1.00 1.00 C ATOM 458 O GLY A 31 5.956 6.577 5.712 1.00 1.00 O ATOM 0 H GLY A 31 2.288 7.497 7.815 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.398 7.831 5.879 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.713 8.551 6.787 1.00 1.00 H new ATOM 462 N ARG A 32 4.559 5.327 6.918 1.00 1.00 N ATOM 463 CA ARG A 32 5.275 4.022 6.730 1.00 1.00 C ATOM 464 C ARG A 32 4.216 2.970 6.450 1.00 1.00 C ATOM 465 O ARG A 32 3.060 3.163 6.757 1.00 1.00 O ATOM 466 CB ARG A 32 5.991 3.611 7.993 1.00 1.00 C ATOM 467 CG ARG A 32 6.907 4.738 8.458 1.00 1.00 C ATOM 468 CD ARG A 32 7.418 4.418 9.850 1.00 1.00 C ATOM 469 NE ARG A 32 8.326 3.243 9.768 1.00 1.00 N ATOM 470 CZ ARG A 32 9.576 3.354 10.131 1.00 1.00 C ATOM 471 NH1 ARG A 32 9.887 3.157 11.383 1.00 1.00 N ATOM 472 NH2 ARG A 32 10.467 3.658 9.229 1.00 1.00 N ATOM 0 H ARG A 32 3.721 5.251 7.495 1.00 1.00 H new ATOM 0 HA ARG A 32 6.001 4.121 5.923 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.266 3.374 8.772 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.573 2.707 7.814 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.743 4.853 7.768 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.366 5.684 8.464 1.00 1.00 H new ATOM 0 HD2 ARG A 32 7.947 5.276 10.264 1.00 1.00 H new ATOM 0 HD3 ARG A 32 6.584 4.205 10.519 1.00 1.00 H new ATOM 0 HE ARG A 32 7.972 2.349 9.428 1.00 1.00 H new ATOM 0 HH11 ARG A 32 9.160 2.921 12.058 1.00 1.00 H new ATOM 0 HH12 ARG A 32 10.857 3.239 11.686 1.00 1.00 H new ATOM 0 HH21 ARG A 32 10.183 3.804 8.260 1.00 1.00 H new ATOM 0 HH22 ARG A 32 11.448 3.749 9.492 1.00 1.00 H new ATOM 486 N CYS A 33 4.628 1.873 5.874 1.00 1.00 N ATOM 487 CA CYS A 33 3.623 0.810 5.583 1.00 1.00 C ATOM 488 C CYS A 33 3.166 0.087 6.847 1.00 1.00 C ATOM 489 O CYS A 33 3.941 -0.095 7.762 1.00 1.00 O ATOM 490 CB CYS A 33 4.192 -0.257 4.671 1.00 1.00 C ATOM 491 SG CYS A 33 3.006 -1.431 3.981 1.00 1.00 S ATOM 0 H CYS A 33 5.589 1.669 5.599 1.00 1.00 H new ATOM 0 HA CYS A 33 2.787 1.329 5.114 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.706 0.236 3.846 1.00 1.00 H new ATOM 0 HB3 CYS A 33 4.945 -0.817 5.226 1.00 1.00 H new ATOM 496 N ASP A 34 1.918 -0.276 6.826 1.00 1.00 N ATOM 497 CA ASP A 34 1.262 -1.016 7.939 1.00 1.00 C ATOM 498 C ASP A 34 0.579 -2.199 7.240 1.00 1.00 C ATOM 499 O ASP A 34 -0.595 -2.137 6.954 1.00 1.00 O ATOM 500 CB ASP A 34 0.268 -0.093 8.614 1.00 1.00 C ATOM 501 CG ASP A 34 -0.439 -0.829 9.760 1.00 1.00 C ATOM 502 OD1 ASP A 34 0.238 -1.114 10.730 1.00 1.00 O ATOM 503 OD2 ASP A 34 -1.620 -1.072 9.609 1.00 1.00 O ATOM 0 H ASP A 34 1.295 -0.080 6.043 1.00 1.00 H new ATOM 0 HA ASP A 34 1.942 -1.361 8.718 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.781 0.788 8.999 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.466 0.257 7.888 1.00 1.00 H new ATOM 508 N CYS A 35 1.325 -3.247 6.977 1.00 1.00 N ATOM 509 CA CYS A 35 0.730 -4.437 6.283 1.00 1.00 C ATOM 510 C CYS A 35 0.570 -5.616 7.267 1.00 1.00 C ATOM 511 O CYS A 35 0.752 -6.750 6.849 1.00 1.00 O ATOM 512 CB CYS A 35 1.679 -4.790 5.086 1.00 1.00 C ATOM 513 SG CYS A 35 0.982 -5.670 3.665 1.00 1.00 S ATOM 514 OXT CYS A 35 0.249 -5.311 8.401 1.00 1.00 O ATOM 0 H CYS A 35 2.314 -3.331 7.211 1.00 1.00 H new ATOM 0 HA CYS A 35 -0.270 -4.219 5.909 1.00 1.00 H new ATOM 0 HB2 CYS A 35 2.112 -3.859 4.720 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.499 -5.391 5.479 1.00 1.00 H new TER 519 CYS A 35