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+ -109:sc= -0.445 (180deg=-1.49) USER MOD Single : A 5 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.6) 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= -0.149 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -108:sc= -2.95 (180deg=-4.91!) USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= -0.0467 (180deg=-2.2!) USER MOD Single : A 25 THR OG1 : rot -123:sc= 0.431 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.0351 (180deg=-0.344) USER MOD Single : A 29 THR OG1 : rot -159:sc= 0.0203 USER MOD Single : A 30 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.117 -7.354 4.672 1.00 1.00 N ATOM 2 CA VAL A 1 3.298 -7.076 6.126 1.00 1.00 C ATOM 3 C VAL A 1 3.602 -5.596 6.406 1.00 1.00 C ATOM 4 O VAL A 1 3.716 -4.780 5.513 1.00 1.00 O ATOM 5 CB VAL A 1 4.465 -7.930 6.716 1.00 1.00 C ATOM 6 CG1 VAL A 1 4.104 -9.425 6.653 1.00 1.00 C ATOM 7 CG2 VAL A 1 5.777 -7.704 5.939 1.00 1.00 C ATOM 0 H1 VAL A 1 2.115 -7.555 4.479 1.00 1.00 H new ATOM 0 H2 VAL A 1 3.416 -6.525 4.120 1.00 1.00 H new ATOM 0 H3 VAL A 1 3.694 -8.176 4.401 1.00 1.00 H new ATOM 0 HA VAL A 1 2.353 -7.340 6.602 1.00 1.00 H new ATOM 0 HB VAL A 1 4.611 -7.619 7.750 1.00 1.00 H new ATOM 0 HG11 VAL A 1 4.922 -10.015 7.066 1.00 1.00 H new ATOM 0 HG12 VAL A 1 3.198 -9.605 7.232 1.00 1.00 H new ATOM 0 HG13 VAL A 1 3.935 -9.715 5.616 1.00 1.00 H new ATOM 0 HG21 VAL A 1 6.568 -8.313 6.376 1.00 1.00 H new ATOM 0 HG22 VAL A 1 5.635 -7.987 4.896 1.00 1.00 H new ATOM 0 HG23 VAL A 1 6.056 -6.652 5.995 1.00 1.00 H new ATOM 19 N VAL A 2 3.708 -5.323 7.682 1.00 1.00 N ATOM 20 CA VAL A 2 4.006 -3.950 8.194 1.00 1.00 C ATOM 21 C VAL A 2 5.461 -3.612 7.856 1.00 1.00 C ATOM 22 O VAL A 2 6.359 -4.254 8.369 1.00 1.00 O ATOM 23 CB VAL A 2 3.794 -3.925 9.725 1.00 1.00 C ATOM 24 CG1 VAL A 2 4.093 -2.529 10.311 1.00 1.00 C ATOM 25 CG2 VAL A 2 2.348 -4.335 10.080 1.00 1.00 C ATOM 0 H VAL A 2 3.596 -6.022 8.416 1.00 1.00 H new ATOM 0 HA VAL A 2 3.345 -3.216 7.734 1.00 1.00 H new ATOM 0 HB VAL A 2 4.490 -4.641 10.163 1.00 1.00 H new ATOM 0 HG11 VAL A 2 3.934 -2.545 11.389 1.00 1.00 H new ATOM 0 HG12 VAL A 2 5.128 -2.260 10.101 1.00 1.00 H new ATOM 0 HG13 VAL A 2 3.428 -1.794 9.858 1.00 1.00 H new ATOM 0 HG21 VAL A 2 2.218 -4.311 11.162 1.00 1.00 H new ATOM 0 HG22 VAL A 2 1.648 -3.640 9.615 1.00 1.00 H new ATOM 0 HG23 VAL A 2 2.155 -5.343 9.713 1.00 1.00 H new ATOM 35 N ILE A 3 5.653 -2.629 7.010 1.00 1.00 N ATOM 36 CA ILE A 3 7.052 -2.241 6.625 1.00 1.00 C ATOM 37 C ILE A 3 7.343 -0.739 6.583 1.00 1.00 C ATOM 38 O ILE A 3 6.469 0.104 6.598 1.00 1.00 O ATOM 39 CB ILE A 3 7.406 -2.855 5.226 1.00 1.00 C ATOM 40 CG1 ILE A 3 6.582 -2.218 4.074 1.00 1.00 C ATOM 41 CG2 ILE A 3 7.059 -4.333 5.286 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.072 -2.721 2.697 1.00 1.00 C ATOM 0 H ILE A 3 4.912 -2.082 6.572 1.00 1.00 H new ATOM 0 HA ILE A 3 7.674 -2.641 7.425 1.00 1.00 H new ATOM 0 HB ILE A 3 8.461 -2.672 5.023 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.527 -2.461 4.199 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.666 -1.132 4.119 1.00 1.00 H new ATOM 0 HG21 ILE A 3 7.291 -4.800 4.329 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.641 -4.812 6.074 1.00 1.00 H new ATOM 0 HG23 ILE A 3 5.996 -4.449 5.498 1.00 1.00 H new ATOM 0 HD11 ILE A 3 6.478 -2.259 1.908 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.121 -2.455 2.564 1.00 1.00 H new ATOM 0 HD13 ILE A 3 6.964 -3.804 2.646 1.00 1.00 H new ATOM 54 N GLY A 4 8.626 -0.496 6.519 1.00 1.00 N ATOM 55 CA GLY A 4 9.169 0.872 6.466 1.00 1.00 C ATOM 56 C GLY A 4 8.679 1.620 5.229 1.00 1.00 C ATOM 57 O GLY A 4 8.322 2.776 5.353 1.00 1.00 O ATOM 0 H GLY A 4 9.338 -1.226 6.501 1.00 1.00 H new ATOM 0 HA2 GLY A 4 8.874 1.417 7.363 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.258 0.832 6.461 1.00 1.00 H new ATOM 61 N GLN A 5 8.685 0.928 4.102 1.00 1.00 N ATOM 62 CA GLN A 5 8.241 1.489 2.775 1.00 1.00 C ATOM 63 C GLN A 5 7.455 2.791 2.907 1.00 1.00 C ATOM 64 O GLN A 5 6.246 2.767 3.056 1.00 1.00 O ATOM 65 CB GLN A 5 7.384 0.430 2.025 1.00 1.00 C ATOM 66 CG GLN A 5 6.820 0.931 0.666 1.00 1.00 C ATOM 67 CD GLN A 5 7.944 1.393 -0.268 1.00 1.00 C ATOM 68 OE1 GLN A 5 8.586 2.401 -0.053 1.00 1.00 O ATOM 69 NE2 GLN A 5 8.215 0.678 -1.321 1.00 1.00 N ATOM 0 H GLN A 5 8.993 -0.043 4.050 1.00 1.00 H new ATOM 0 HA GLN A 5 9.143 1.723 2.209 1.00 1.00 H new ATOM 0 HB2 GLN A 5 7.991 -0.458 1.851 1.00 1.00 H new ATOM 0 HB3 GLN A 5 6.554 0.129 2.664 1.00 1.00 H new ATOM 0 HG2 GLN A 5 6.253 0.132 0.188 1.00 1.00 H new ATOM 0 HG3 GLN A 5 6.127 1.754 0.839 1.00 1.00 H new ATOM 0 HE21 GLN A 5 7.683 -0.171 -1.512 1.00 1.00 H new ATOM 0 HE22 GLN A 5 8.960 0.966 -1.955 1.00 1.00 H new ATOM 78 N ARG A 6 8.190 3.876 2.861 1.00 1.00 N ATOM 79 CA ARG A 6 7.579 5.233 2.976 1.00 1.00 C ATOM 80 C ARG A 6 6.256 5.301 2.203 1.00 1.00 C ATOM 81 O ARG A 6 6.174 4.852 1.075 1.00 1.00 O ATOM 82 CB ARG A 6 8.585 6.276 2.431 1.00 1.00 C ATOM 83 CG ARG A 6 8.781 6.107 0.911 1.00 1.00 C ATOM 84 CD ARG A 6 9.943 6.981 0.416 1.00 1.00 C ATOM 85 NE ARG A 6 11.201 6.511 1.071 1.00 1.00 N ATOM 86 CZ ARG A 6 12.179 6.042 0.346 1.00 1.00 C ATOM 87 NH1 ARG A 6 12.147 4.792 -0.016 1.00 1.00 N ATOM 88 NH2 ARG A 6 13.157 6.840 0.014 1.00 1.00 N ATOM 0 H ARG A 6 9.204 3.876 2.747 1.00 1.00 H new ATOM 0 HA ARG A 6 7.359 5.447 4.022 1.00 1.00 H new ATOM 0 HB2 ARG A 6 8.225 7.282 2.646 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.542 6.165 2.940 1.00 1.00 H new ATOM 0 HG2 ARG A 6 8.981 5.061 0.679 1.00 1.00 H new ATOM 0 HG3 ARG A 6 7.865 6.380 0.388 1.00 1.00 H new ATOM 0 HD2 ARG A 6 10.032 6.914 -0.668 1.00 1.00 H new ATOM 0 HD3 ARG A 6 9.759 8.028 0.657 1.00 1.00 H new ATOM 0 HE ARG A 6 11.295 6.557 2.086 1.00 1.00 H new ATOM 0 HH11 ARG A 6 11.367 4.199 0.267 1.00 1.00 H new ATOM 0 HH12 ARG A 6 12.902 4.406 -0.583 1.00 1.00 H new ATOM 0 HH21 ARG A 6 13.148 7.813 0.321 1.00 1.00 H new ATOM 0 HH22 ARG A 6 13.930 6.491 -0.552 1.00 1.00 H new ATOM 102 N CYS A 7 5.269 5.858 2.846 1.00 1.00 N ATOM 103 CA CYS A 7 3.939 5.981 2.201 1.00 1.00 C ATOM 104 C CYS A 7 3.485 7.429 2.009 1.00 1.00 C ATOM 105 O CYS A 7 3.923 8.328 2.699 1.00 1.00 O ATOM 106 CB CYS A 7 2.905 5.244 3.051 1.00 1.00 C ATOM 107 SG CYS A 7 1.202 5.459 2.479 1.00 1.00 S ATOM 0 H CYS A 7 5.329 6.233 3.793 1.00 1.00 H new ATOM 0 HA CYS A 7 4.027 5.543 1.207 1.00 1.00 H new ATOM 0 HB2 CYS A 7 3.145 4.181 3.057 1.00 1.00 H new ATOM 0 HB3 CYS A 7 2.979 5.593 4.081 1.00 1.00 H new ATOM 112 N TYR A 8 2.603 7.577 1.052 1.00 1.00 N ATOM 113 CA TYR A 8 2.016 8.899 0.688 1.00 1.00 C ATOM 114 C TYR A 8 0.506 8.746 0.878 1.00 1.00 C ATOM 115 O TYR A 8 -0.100 9.431 1.674 1.00 1.00 O ATOM 116 CB TYR A 8 2.351 9.183 -0.767 1.00 1.00 C ATOM 117 CG TYR A 8 2.176 10.670 -1.129 1.00 1.00 C ATOM 118 CD1 TYR A 8 0.948 11.301 -1.015 1.00 1.00 C ATOM 119 CD2 TYR A 8 3.255 11.403 -1.584 1.00 1.00 C ATOM 120 CE1 TYR A 8 0.805 12.629 -1.348 1.00 1.00 C ATOM 121 CE2 TYR A 8 3.108 12.736 -1.917 1.00 1.00 C ATOM 122 CZ TYR A 8 1.883 13.358 -1.800 1.00 1.00 C ATOM 123 OH TYR A 8 1.736 14.690 -2.130 1.00 1.00 O ATOM 0 H TYR A 8 2.254 6.802 0.488 1.00 1.00 H new ATOM 0 HA TYR A 8 2.399 9.720 1.293 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.379 8.882 -0.966 1.00 1.00 H new ATOM 0 HB3 TYR A 8 1.712 8.578 -1.409 1.00 1.00 H new ATOM 0 HD1 TYR A 8 0.093 10.745 -0.661 1.00 1.00 H new ATOM 0 HD2 TYR A 8 4.221 10.930 -1.680 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -0.161 13.103 -1.254 1.00 1.00 H new ATOM 0 HE2 TYR A 8 3.961 13.296 -2.272 1.00 1.00 H new ATOM 0 HH TYR A 8 2.597 15.050 -2.429 1.00 1.00 H new ATOM 133 N ARG A 9 -0.018 7.826 0.110 1.00 1.00 N ATOM 134 CA ARG A 9 -1.486 7.520 0.140 1.00 1.00 C ATOM 135 C ARG A 9 -1.695 6.102 0.673 1.00 1.00 C ATOM 136 O ARG A 9 -0.780 5.300 0.643 1.00 1.00 O ATOM 137 CB ARG A 9 -2.080 7.588 -1.272 1.00 1.00 C ATOM 138 CG ARG A 9 -1.416 8.711 -2.081 1.00 1.00 C ATOM 139 CD ARG A 9 -2.117 8.886 -3.429 1.00 1.00 C ATOM 140 NE ARG A 9 -1.385 9.954 -4.174 1.00 1.00 N ATOM 141 CZ ARG A 9 -1.982 11.078 -4.466 1.00 1.00 C ATOM 142 NH1 ARG A 9 -2.866 11.100 -5.424 1.00 1.00 N ATOM 143 NH2 ARG A 9 -1.667 12.147 -3.787 1.00 1.00 N ATOM 0 H ARG A 9 0.517 7.262 -0.550 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.977 8.253 0.780 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.938 6.634 -1.779 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -3.155 7.761 -1.213 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.456 9.644 -1.520 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.363 8.479 -2.239 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -2.110 7.952 -3.990 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -3.161 9.164 -3.286 1.00 1.00 H new ATOM 0 HE ARG A 9 -0.416 9.805 -4.455 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -3.085 10.245 -5.936 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -3.339 11.972 -5.661 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -0.968 12.093 -3.046 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -2.120 13.036 -3.997 1.00 1.00 H new ATOM 157 N SER A 10 -2.896 5.859 1.131 1.00 1.00 N ATOM 158 CA SER A 10 -3.301 4.523 1.696 1.00 1.00 C ATOM 159 C SER A 10 -2.472 3.324 1.190 1.00 1.00 C ATOM 160 O SER A 10 -1.917 2.608 2.001 1.00 1.00 O ATOM 161 CB SER A 10 -4.802 4.282 1.387 1.00 1.00 C ATOM 162 OG SER A 10 -5.490 5.289 2.120 1.00 1.00 O ATOM 0 H SER A 10 -3.643 6.553 1.139 1.00 1.00 H new ATOM 0 HA SER A 10 -3.109 4.577 2.768 1.00 1.00 H new ATOM 0 HB2 SER A 10 -5.004 4.363 0.319 1.00 1.00 H new ATOM 0 HB3 SER A 10 -5.114 3.285 1.696 1.00 1.00 H new ATOM 0 HG SER A 10 -6.455 5.201 1.971 1.00 1.00 H new ATOM 168 N PRO A 11 -2.403 3.119 -0.103 1.00 1.00 N ATOM 169 CA PRO A 11 -1.475 2.118 -0.687 1.00 1.00 C ATOM 170 C PRO A 11 0.009 2.473 -0.528 1.00 1.00 C ATOM 171 O PRO A 11 0.572 2.216 0.513 1.00 1.00 O ATOM 172 CB PRO A 11 -1.935 2.022 -2.155 1.00 1.00 C ATOM 173 CG PRO A 11 -2.393 3.471 -2.441 1.00 1.00 C ATOM 174 CD PRO A 11 -3.191 3.796 -1.177 1.00 1.00 C ATOM 0 HA PRO A 11 -1.525 1.160 -0.170 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.127 1.711 -2.817 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.746 1.305 -2.283 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.550 4.148 -2.579 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -3.005 3.537 -3.340 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.263 4.871 -1.009 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -4.210 3.413 -1.233 1.00 1.00 H new ATOM 182 N ASP A 12 0.577 3.056 -1.555 1.00 1.00 N ATOM 183 CA ASP A 12 2.018 3.478 -1.622 1.00 1.00 C ATOM 184 C ASP A 12 2.908 2.420 -0.924 1.00 1.00 C ATOM 185 O ASP A 12 3.935 2.691 -0.332 1.00 1.00 O ATOM 186 CB ASP A 12 2.116 4.867 -0.947 1.00 1.00 C ATOM 187 CG ASP A 12 3.359 5.628 -1.455 1.00 1.00 C ATOM 188 OD1 ASP A 12 4.462 5.217 -1.131 1.00 1.00 O ATOM 189 OD2 ASP A 12 3.133 6.597 -2.158 1.00 1.00 O ATOM 0 H ASP A 12 0.063 3.271 -2.409 1.00 1.00 H new ATOM 0 HA ASP A 12 2.372 3.551 -2.650 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.217 5.445 -1.159 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.172 4.749 0.135 1.00 1.00 H new ATOM 194 N CYS A 13 2.412 1.219 -1.058 1.00 1.00 N ATOM 195 CA CYS A 13 3.037 -0.008 -0.495 1.00 1.00 C ATOM 196 C CYS A 13 2.372 -1.319 -0.966 1.00 1.00 C ATOM 197 O CYS A 13 2.985 -2.360 -0.840 1.00 1.00 O ATOM 198 CB CYS A 13 2.960 0.030 1.000 1.00 1.00 C ATOM 199 SG CYS A 13 3.713 -1.377 1.847 1.00 1.00 S ATOM 0 H CYS A 13 1.547 1.034 -1.566 1.00 1.00 H new ATOM 0 HA CYS A 13 4.066 -0.009 -0.854 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.441 0.943 1.349 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.912 0.090 1.292 1.00 1.00 H new ATOM 204 N TYR A 14 1.163 -1.253 -1.480 1.00 1.00 N ATOM 205 CA TYR A 14 0.427 -2.465 -1.964 1.00 1.00 C ATOM 206 C TYR A 14 1.335 -3.461 -2.670 1.00 1.00 C ATOM 207 O TYR A 14 1.447 -4.591 -2.245 1.00 1.00 O ATOM 208 CB TYR A 14 -0.679 -2.000 -2.921 1.00 1.00 C ATOM 209 CG TYR A 14 -1.957 -1.504 -2.195 1.00 1.00 C ATOM 210 CD1 TYR A 14 -2.002 -1.246 -0.836 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.106 -1.312 -2.939 1.00 1.00 C ATOM 212 CE1 TYR A 14 -3.168 -0.812 -0.239 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.271 -0.878 -2.341 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.310 -0.625 -0.985 1.00 1.00 C ATOM 215 OH TYR A 14 -5.472 -0.189 -0.382 1.00 1.00 O ATOM 0 H TYR A 14 0.643 -0.382 -1.586 1.00 1.00 H new ATOM 0 HA TYR A 14 0.011 -2.982 -1.099 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.292 -1.197 -3.548 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -0.944 -2.823 -3.585 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.115 -1.386 -0.236 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.092 -1.504 -4.002 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -3.185 -0.617 0.823 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.159 -0.735 -2.939 1.00 1.00 H new ATOM 0 HH TYR A 14 -6.180 -0.110 -1.055 1.00 1.00 H new ATOM 225 N SER A 15 1.942 -2.998 -3.723 1.00 1.00 N ATOM 226 CA SER A 15 2.880 -3.850 -4.529 1.00 1.00 C ATOM 227 C SER A 15 3.869 -4.620 -3.633 1.00 1.00 C ATOM 228 O SER A 15 4.108 -5.796 -3.825 1.00 1.00 O ATOM 229 CB SER A 15 3.641 -2.944 -5.506 1.00 1.00 C ATOM 230 OG SER A 15 4.293 -1.984 -4.683 1.00 1.00 O ATOM 0 H SER A 15 1.831 -2.046 -4.073 1.00 1.00 H new ATOM 0 HA SER A 15 2.299 -4.594 -5.074 1.00 1.00 H new ATOM 0 HB2 SER A 15 4.360 -3.514 -6.094 1.00 1.00 H new ATOM 0 HB3 SER A 15 2.962 -2.464 -6.211 1.00 1.00 H new ATOM 0 HG SER A 15 4.806 -1.366 -5.245 1.00 1.00 H new ATOM 236 N ALA A 16 4.410 -3.910 -2.675 1.00 1.00 N ATOM 237 CA ALA A 16 5.389 -4.520 -1.722 1.00 1.00 C ATOM 238 C ALA A 16 4.679 -5.577 -0.875 1.00 1.00 C ATOM 239 O ALA A 16 5.193 -6.657 -0.656 1.00 1.00 O ATOM 240 CB ALA A 16 5.974 -3.424 -0.815 1.00 1.00 C ATOM 0 H ALA A 16 4.213 -2.923 -2.510 1.00 1.00 H new ATOM 0 HA ALA A 16 6.200 -4.991 -2.278 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.687 -3.869 -0.121 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.480 -2.677 -1.427 1.00 1.00 H new ATOM 0 HB3 ALA A 16 5.170 -2.948 -0.254 1.00 1.00 H new ATOM 246 N CYS A 17 3.499 -5.226 -0.420 1.00 1.00 N ATOM 247 CA CYS A 17 2.722 -6.185 0.411 1.00 1.00 C ATOM 248 C CYS A 17 2.538 -7.444 -0.428 1.00 1.00 C ATOM 249 O CYS A 17 2.824 -8.519 0.035 1.00 1.00 O ATOM 250 CB CYS A 17 1.344 -5.624 0.775 1.00 1.00 C ATOM 251 SG CYS A 17 0.494 -6.572 2.062 1.00 1.00 S ATOM 0 H CYS A 17 3.049 -4.326 -0.588 1.00 1.00 H new ATOM 0 HA CYS A 17 3.254 -6.382 1.342 1.00 1.00 H new ATOM 0 HB2 CYS A 17 1.457 -4.593 1.110 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.722 -5.602 -0.120 1.00 1.00 H new ATOM 256 N LYS A 18 2.075 -7.300 -1.648 1.00 1.00 N ATOM 257 CA LYS A 18 1.879 -8.492 -2.532 1.00 1.00 C ATOM 258 C LYS A 18 3.171 -9.312 -2.529 1.00 1.00 C ATOM 259 O LYS A 18 3.181 -10.496 -2.254 1.00 1.00 O ATOM 260 CB LYS A 18 1.556 -8.002 -3.945 1.00 1.00 C ATOM 261 CG LYS A 18 1.369 -9.211 -4.898 1.00 1.00 C ATOM 262 CD LYS A 18 0.610 -8.786 -6.169 1.00 1.00 C ATOM 263 CE LYS A 18 -0.866 -8.558 -5.821 1.00 1.00 C ATOM 264 NZ LYS A 18 -1.599 -8.049 -7.008 1.00 1.00 N ATOM 0 H LYS A 18 1.824 -6.406 -2.070 1.00 1.00 H new ATOM 0 HA LYS A 18 1.059 -9.115 -2.177 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.649 -7.397 -3.930 1.00 1.00 H new ATOM 0 HB3 LYS A 18 2.360 -7.363 -4.309 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.342 -9.622 -5.169 1.00 1.00 H new ATOM 0 HG3 LYS A 18 0.820 -10.002 -4.387 1.00 1.00 H new ATOM 0 HD2 LYS A 18 1.045 -7.874 -6.579 1.00 1.00 H new ATOM 0 HD3 LYS A 18 0.701 -9.555 -6.936 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -1.315 -9.491 -5.479 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -0.948 -7.845 -5.000 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.598 -7.898 -6.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -1.179 -7.149 -7.316 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -1.534 -8.743 -7.780 1.00 1.00 H new ATOM 278 N LYS A 19 4.220 -8.602 -2.848 1.00 1.00 N ATOM 279 CA LYS A 19 5.590 -9.186 -2.904 1.00 1.00 C ATOM 280 C LYS A 19 5.926 -9.940 -1.592 1.00 1.00 C ATOM 281 O LYS A 19 6.637 -10.928 -1.612 1.00 1.00 O ATOM 282 CB LYS A 19 6.569 -8.027 -3.157 1.00 1.00 C ATOM 283 CG LYS A 19 7.968 -8.574 -3.462 1.00 1.00 C ATOM 284 CD LYS A 19 9.025 -7.437 -3.606 1.00 1.00 C ATOM 285 CE LYS A 19 8.734 -6.501 -4.808 1.00 1.00 C ATOM 286 NZ LYS A 19 7.568 -5.613 -4.536 1.00 1.00 N ATOM 0 H LYS A 19 4.181 -7.609 -3.079 1.00 1.00 H new ATOM 0 HA LYS A 19 5.664 -9.921 -3.706 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.218 -7.420 -3.992 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.607 -7.376 -2.283 1.00 1.00 H new ATOM 0 HG2 LYS A 19 8.273 -9.253 -2.665 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.936 -9.157 -4.382 1.00 1.00 H new ATOM 0 HD2 LYS A 19 9.047 -6.848 -2.689 1.00 1.00 H new ATOM 0 HD3 LYS A 19 10.014 -7.879 -3.725 1.00 1.00 H new ATOM 0 HE2 LYS A 19 9.614 -5.894 -5.020 1.00 1.00 H new ATOM 0 HE3 LYS A 19 8.538 -7.099 -5.698 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 6.756 -5.922 -5.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 7.321 -5.664 -3.527 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 7.813 -4.633 -4.784 1.00 1.00 H new ATOM 300 N LEU A 20 5.396 -9.446 -0.500 1.00 1.00 N ATOM 301 CA LEU A 20 5.642 -10.073 0.839 1.00 1.00 C ATOM 302 C LEU A 20 4.634 -11.167 1.265 1.00 1.00 C ATOM 303 O LEU A 20 5.037 -12.285 1.526 1.00 1.00 O ATOM 304 CB LEU A 20 5.655 -8.931 1.878 1.00 1.00 C ATOM 305 CG LEU A 20 6.849 -7.973 1.598 1.00 1.00 C ATOM 306 CD1 LEU A 20 6.623 -6.641 2.337 1.00 1.00 C ATOM 307 CD2 LEU A 20 8.157 -8.602 2.135 1.00 1.00 C ATOM 0 H LEU A 20 4.794 -8.623 -0.478 1.00 1.00 H new ATOM 0 HA LEU A 20 6.592 -10.604 0.774 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.716 -8.378 1.835 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.737 -9.344 2.884 1.00 1.00 H new ATOM 0 HG LEU A 20 6.922 -7.805 0.523 1.00 1.00 H new ATOM 0 HD11 LEU A 20 7.459 -5.970 2.141 1.00 1.00 H new ATOM 0 HD12 LEU A 20 5.699 -6.182 1.985 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.551 -6.827 3.409 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.992 -7.929 1.938 1.00 1.00 H new ATOM 0 HD22 LEU A 20 8.068 -8.765 3.209 1.00 1.00 H new ATOM 0 HD23 LEU A 20 8.334 -9.555 1.637 1.00 1.00 H new ATOM 319 N VAL A 21 3.368 -10.840 1.326 1.00 1.00 N ATOM 320 CA VAL A 21 2.300 -11.791 1.725 1.00 1.00 C ATOM 321 C VAL A 21 1.549 -12.395 0.526 1.00 1.00 C ATOM 322 O VAL A 21 1.182 -13.551 0.594 1.00 1.00 O ATOM 323 CB VAL A 21 1.315 -11.039 2.648 1.00 1.00 C ATOM 324 CG1 VAL A 21 1.982 -10.781 4.011 1.00 1.00 C ATOM 325 CG2 VAL A 21 0.876 -9.675 2.071 1.00 1.00 C ATOM 0 H VAL A 21 3.022 -9.907 1.104 1.00 1.00 H new ATOM 0 HA VAL A 21 2.765 -12.631 2.241 1.00 1.00 H new ATOM 0 HB VAL A 21 0.433 -11.672 2.744 1.00 1.00 H new ATOM 0 HG11 VAL A 21 1.287 -10.251 4.662 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.254 -11.732 4.469 1.00 1.00 H new ATOM 0 HG13 VAL A 21 2.878 -10.177 3.869 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.185 -9.193 2.762 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.751 -9.040 1.931 1.00 1.00 H new ATOM 0 HG23 VAL A 21 0.382 -9.828 1.112 1.00 1.00 H new ATOM 335 N GLY A 22 1.343 -11.632 -0.514 1.00 1.00 N ATOM 336 CA GLY A 22 0.623 -12.165 -1.707 1.00 1.00 C ATOM 337 C GLY A 22 -0.448 -11.250 -2.306 1.00 1.00 C ATOM 338 O GLY A 22 -0.777 -11.422 -3.465 1.00 1.00 O ATOM 0 H GLY A 22 1.643 -10.660 -0.589 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.357 -12.387 -2.481 1.00 1.00 H new ATOM 0 HA3 GLY A 22 0.154 -13.110 -1.432 1.00 1.00 H new ATOM 342 N LYS A 23 -0.975 -10.323 -1.539 1.00 1.00 N ATOM 343 CA LYS A 23 -2.032 -9.411 -2.091 1.00 1.00 C ATOM 344 C LYS A 23 -1.678 -7.920 -1.943 1.00 1.00 C ATOM 345 O LYS A 23 -1.065 -7.505 -0.976 1.00 1.00 O ATOM 346 CB LYS A 23 -3.391 -9.698 -1.376 1.00 1.00 C ATOM 347 CG LYS A 23 -3.429 -9.321 0.128 1.00 1.00 C ATOM 348 CD LYS A 23 -2.661 -10.330 1.016 1.00 1.00 C ATOM 349 CE LYS A 23 -2.783 -9.896 2.486 1.00 1.00 C ATOM 350 NZ LYS A 23 -2.043 -10.850 3.362 1.00 1.00 N ATOM 0 H LYS A 23 -0.723 -10.159 -0.564 1.00 1.00 H new ATOM 0 HA LYS A 23 -2.106 -9.616 -3.159 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -4.180 -9.151 -1.893 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -3.621 -10.759 -1.476 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -3.001 -8.327 0.260 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.466 -9.268 0.459 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -3.067 -11.333 0.884 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -1.612 -10.370 0.721 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -2.383 -8.890 2.611 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -3.833 -9.861 2.778 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -2.684 -11.218 4.094 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -1.683 -11.640 2.789 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -1.246 -10.359 3.815 1.00 1.00 H new ATOM 364 N ALA A 24 -2.090 -7.181 -2.944 1.00 1.00 N ATOM 365 CA ALA A 24 -1.872 -5.701 -3.030 1.00 1.00 C ATOM 366 C ALA A 24 -2.738 -4.897 -2.043 1.00 1.00 C ATOM 367 O ALA A 24 -3.645 -4.192 -2.443 1.00 1.00 O ATOM 368 CB ALA A 24 -2.159 -5.278 -4.490 1.00 1.00 C ATOM 0 H ALA A 24 -2.594 -7.564 -3.744 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.843 -5.480 -2.747 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.011 -4.203 -4.593 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -1.480 -5.804 -5.161 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.189 -5.528 -4.746 1.00 1.00 H new ATOM 374 N THR A 25 -2.439 -5.031 -0.778 1.00 1.00 N ATOM 375 CA THR A 25 -3.209 -4.298 0.272 1.00 1.00 C ATOM 376 C THR A 25 -2.234 -3.644 1.255 1.00 1.00 C ATOM 377 O THR A 25 -1.060 -3.494 0.974 1.00 1.00 O ATOM 378 CB THR A 25 -4.147 -5.326 0.986 1.00 1.00 C ATOM 379 OG1 THR A 25 -5.071 -4.561 1.749 1.00 1.00 O ATOM 380 CG2 THR A 25 -3.423 -6.232 2.014 1.00 1.00 C ATOM 0 H THR A 25 -1.687 -5.622 -0.423 1.00 1.00 H new ATOM 0 HA THR A 25 -3.817 -3.505 -0.164 1.00 1.00 H new ATOM 0 HB THR A 25 -4.580 -5.961 0.213 1.00 1.00 H new ATOM 0 HG1 THR A 25 -5.020 -4.830 2.690 1.00 1.00 H new ATOM 0 HG21 THR A 25 -4.141 -6.916 2.465 1.00 1.00 H new ATOM 0 HG22 THR A 25 -2.644 -6.804 1.510 1.00 1.00 H new ATOM 0 HG23 THR A 25 -2.974 -5.614 2.791 1.00 1.00 H new ATOM 388 N GLY A 26 -2.781 -3.279 2.382 1.00 1.00 N ATOM 389 CA GLY A 26 -2.000 -2.622 3.474 1.00 1.00 C ATOM 390 C GLY A 26 -2.549 -1.261 3.880 1.00 1.00 C ATOM 391 O GLY A 26 -3.479 -0.748 3.288 1.00 1.00 O ATOM 0 H GLY A 26 -3.769 -3.413 2.599 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -1.990 -3.276 4.346 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -0.966 -2.506 3.151 1.00 1.00 H new ATOM 395 N LYS A 27 -1.928 -0.733 4.906 1.00 1.00 N ATOM 396 CA LYS A 27 -2.316 0.584 5.455 1.00 1.00 C ATOM 397 C LYS A 27 -1.110 1.535 5.397 1.00 1.00 C ATOM 398 O LYS A 27 0.018 1.123 5.288 1.00 1.00 O ATOM 399 CB LYS A 27 -2.803 0.360 6.913 1.00 1.00 C ATOM 400 CG LYS A 27 -3.224 1.675 7.633 1.00 1.00 C ATOM 401 CD LYS A 27 -4.418 2.383 6.934 1.00 1.00 C ATOM 402 CE LYS A 27 -5.697 1.517 6.984 1.00 1.00 C ATOM 403 NZ LYS A 27 -6.079 1.227 8.398 1.00 1.00 N ATOM 0 H LYS A 27 -1.150 -1.179 5.391 1.00 1.00 H new ATOM 0 HA LYS A 27 -3.119 1.039 4.875 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -3.649 -0.327 6.904 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -2.008 -0.120 7.484 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -3.494 1.450 8.665 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -2.373 2.355 7.667 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -4.607 3.342 7.417 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.160 2.594 5.896 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -6.513 2.034 6.480 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -5.532 0.583 6.447 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -7.056 0.872 8.428 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -5.437 0.509 8.791 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -6.010 2.098 8.962 1.00 1.00 H new ATOM 417 N CYS A 28 -1.438 2.798 5.489 1.00 1.00 N ATOM 418 CA CYS A 28 -0.438 3.904 5.461 1.00 1.00 C ATOM 419 C CYS A 28 -0.486 4.461 6.867 1.00 1.00 C ATOM 420 O CYS A 28 -1.372 5.198 7.260 1.00 1.00 O ATOM 421 CB CYS A 28 -0.882 4.908 4.452 1.00 1.00 C ATOM 422 SG CYS A 28 0.191 6.288 4.013 1.00 1.00 S ATOM 0 H CYS A 28 -2.401 3.119 5.587 1.00 1.00 H new ATOM 0 HA CYS A 28 0.573 3.601 5.187 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -1.104 4.366 3.533 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.822 5.330 4.808 1.00 1.00 H new ATOM 427 N THR A 29 0.510 4.042 7.561 1.00 1.00 N ATOM 428 CA THR A 29 0.693 4.432 8.995 1.00 1.00 C ATOM 429 C THR A 29 1.976 5.208 9.240 1.00 1.00 C ATOM 430 O THR A 29 3.061 4.725 8.998 1.00 1.00 O ATOM 431 CB THR A 29 0.727 3.192 9.828 1.00 1.00 C ATOM 432 OG1 THR A 29 -0.495 2.525 9.571 1.00 1.00 O ATOM 433 CG2 THR A 29 0.752 3.485 11.331 1.00 1.00 C ATOM 0 H THR A 29 1.237 3.425 7.197 1.00 1.00 H new ATOM 0 HA THR A 29 -0.141 5.081 9.263 1.00 1.00 H new ATOM 0 HB THR A 29 1.624 2.625 9.578 1.00 1.00 H new ATOM 0 HG1 THR A 29 -0.689 1.904 10.304 1.00 1.00 H new ATOM 0 HG21 THR A 29 0.776 2.546 11.884 1.00 1.00 H new ATOM 0 HG22 THR A 29 1.638 4.072 11.573 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.141 4.046 11.607 1.00 1.00 H new ATOM 441 N ASN A 30 1.772 6.389 9.753 1.00 1.00 N ATOM 442 CA ASN A 30 2.887 7.328 10.076 1.00 1.00 C ATOM 443 C ASN A 30 3.911 7.393 8.921 1.00 1.00 C ATOM 444 O ASN A 30 5.111 7.446 9.111 1.00 1.00 O ATOM 445 CB ASN A 30 3.491 6.808 11.410 1.00 1.00 C ATOM 446 CG ASN A 30 4.681 7.644 11.878 1.00 1.00 C ATOM 447 OD1 ASN A 30 4.603 8.845 12.050 1.00 1.00 O ATOM 448 ND2 ASN A 30 5.807 7.024 12.098 1.00 1.00 N ATOM 0 H ASN A 30 0.845 6.756 9.970 1.00 1.00 H new ATOM 0 HA ASN A 30 2.547 8.357 10.194 1.00 1.00 H new ATOM 0 HB2 ASN A 30 2.721 6.815 12.181 1.00 1.00 H new ATOM 0 HB3 ASN A 30 3.806 5.772 11.283 1.00 1.00 H new ATOM 0 HD21 ASN A 30 6.624 7.547 12.415 1.00 1.00 H new ATOM 0 HD22 ASN A 30 5.871 6.016 11.953 1.00 1.00 H new ATOM 455 N GLY A 31 3.348 7.386 7.740 1.00 1.00 N ATOM 456 CA GLY A 31 4.125 7.441 6.474 1.00 1.00 C ATOM 457 C GLY A 31 5.011 6.212 6.269 1.00 1.00 C ATOM 458 O GLY A 31 6.053 6.291 5.650 1.00 1.00 O ATOM 0 H GLY A 31 2.338 7.342 7.602 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.436 7.531 5.634 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.747 8.336 6.473 1.00 1.00 H new ATOM 462 N ARG A 32 4.555 5.123 6.812 1.00 1.00 N ATOM 463 CA ARG A 32 5.262 3.813 6.729 1.00 1.00 C ATOM 464 C ARG A 32 4.181 2.756 6.498 1.00 1.00 C ATOM 465 O ARG A 32 3.047 2.928 6.887 1.00 1.00 O ATOM 466 CB ARG A 32 5.953 3.463 8.031 1.00 1.00 C ATOM 467 CG ARG A 32 6.811 4.640 8.540 1.00 1.00 C ATOM 468 CD ARG A 32 6.905 4.543 10.058 1.00 1.00 C ATOM 469 NE ARG A 32 7.699 5.706 10.550 1.00 1.00 N ATOM 470 CZ ARG A 32 8.774 5.515 11.262 1.00 1.00 C ATOM 471 NH1 ARG A 32 9.894 5.237 10.654 1.00 1.00 N ATOM 472 NH2 ARG A 32 8.689 5.609 12.561 1.00 1.00 N ATOM 0 H ARG A 32 3.680 5.084 7.335 1.00 1.00 H new ATOM 0 HA ARG A 32 6.012 3.858 5.939 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.208 3.201 8.782 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.583 2.585 7.887 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.805 4.605 8.095 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.364 5.590 8.247 1.00 1.00 H new ATOM 0 HD2 ARG A 32 5.909 4.547 10.502 1.00 1.00 H new ATOM 0 HD3 ARG A 32 7.380 3.607 10.351 1.00 1.00 H new ATOM 0 HE ARG A 32 7.399 6.655 10.328 1.00 1.00 H new ATOM 0 HH11 ARG A 32 9.919 5.172 9.636 1.00 1.00 H new ATOM 0 HH12 ARG A 32 10.744 5.085 11.196 1.00 1.00 H new ATOM 0 HH21 ARG A 32 7.794 5.828 12.999 1.00 1.00 H new ATOM 0 HH22 ARG A 32 9.517 5.463 13.138 1.00 1.00 H new ATOM 486 N CYS A 33 4.566 1.682 5.873 1.00 1.00 N ATOM 487 CA CYS A 33 3.588 0.592 5.595 1.00 1.00 C ATOM 488 C CYS A 33 3.158 -0.268 6.768 1.00 1.00 C ATOM 489 O CYS A 33 3.963 -0.641 7.600 1.00 1.00 O ATOM 490 CB CYS A 33 4.121 -0.377 4.593 1.00 1.00 C ATOM 491 SG CYS A 33 2.939 -1.415 3.712 1.00 1.00 S ATOM 0 H CYS A 33 5.515 1.509 5.542 1.00 1.00 H new ATOM 0 HA CYS A 33 2.726 1.165 5.254 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.689 0.186 3.852 1.00 1.00 H new ATOM 0 HB3 CYS A 33 4.826 -1.033 5.104 1.00 1.00 H new ATOM 496 N ASP A 34 1.891 -0.546 6.767 1.00 1.00 N ATOM 497 CA ASP A 34 1.275 -1.408 7.814 1.00 1.00 C ATOM 498 C ASP A 34 0.359 -2.406 7.097 1.00 1.00 C ATOM 499 O ASP A 34 -0.834 -2.213 7.034 1.00 1.00 O ATOM 500 CB ASP A 34 0.446 -0.568 8.816 1.00 1.00 C ATOM 501 CG ASP A 34 1.324 0.093 9.891 1.00 1.00 C ATOM 502 OD1 ASP A 34 2.472 0.409 9.617 1.00 1.00 O ATOM 503 OD2 ASP A 34 0.769 0.267 10.962 1.00 1.00 O ATOM 0 H ASP A 34 1.235 -0.203 6.065 1.00 1.00 H new ATOM 0 HA ASP A 34 2.054 -1.917 8.381 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -0.102 0.202 8.274 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.294 -1.207 9.297 1.00 1.00 H new ATOM 508 N CYS A 35 0.951 -3.450 6.563 1.00 1.00 N ATOM 509 CA CYS A 35 0.148 -4.487 5.834 1.00 1.00 C ATOM 510 C CYS A 35 0.283 -5.873 6.496 1.00 1.00 C ATOM 511 O CYS A 35 0.737 -5.888 7.629 1.00 1.00 O ATOM 512 CB CYS A 35 0.639 -4.502 4.366 1.00 1.00 C ATOM 513 SG CYS A 35 -0.498 -5.205 3.157 1.00 1.00 S ATOM 514 OXT CYS A 35 -0.065 -6.843 5.844 1.00 1.00 O ATOM 0 H CYS A 35 1.954 -3.629 6.600 1.00 1.00 H new ATOM 0 HA CYS A 35 -0.913 -4.241 5.871 1.00 1.00 H new ATOM 0 HB2 CYS A 35 0.865 -3.478 4.069 1.00 1.00 H new ATOM 0 HB3 CYS A 35 1.574 -5.060 4.323 1.00 1.00 H new TER 519 CYS A 35