USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 258 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 ALA N :NH3+ 137:sc= 0.0563 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 2.59 (180deg=2.56) USER MOD Single : A 19 GLN : amide:sc= -0.36! C(o=-0.36!,f=-6.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.29) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.01) USER MOD Single : A 27 MET CE :methyl -168:sc= 0 (180deg=-0.123) USER MOD Single : A 28 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.8) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 1.24 (180deg=0.936) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.692 -6.865 7.253 1.00 0.00 N ATOM 2 CA ALA A 1 2.721 -6.264 6.322 1.00 0.00 C ATOM 3 C ALA A 1 1.293 -6.414 6.853 1.00 0.00 C ATOM 4 O ALA A 1 1.006 -7.351 7.611 1.00 0.00 O ATOM 5 CB ALA A 1 2.851 -6.848 4.908 1.00 0.00 C ATOM 0 H1 ALA A 1 4.400 -7.405 6.716 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.167 -6.113 7.792 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.196 -7.501 7.909 1.00 0.00 H new ATOM 0 HA ALA A 1 2.948 -5.200 6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.118 -6.379 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.854 -6.657 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.674 -7.923 4.941 1.00 0.00 H new ATOM 13 N ALA A 2 0.386 -5.526 6.434 1.00 0.00 N ATOM 14 CA ALA A 2 -1.020 -5.516 6.826 1.00 0.00 C ATOM 15 C ALA A 2 -1.887 -5.204 5.600 1.00 0.00 C ATOM 16 O ALA A 2 -1.419 -4.535 4.671 1.00 0.00 O ATOM 17 CB ALA A 2 -1.206 -4.443 7.905 1.00 0.00 C ATOM 0 H ALA A 2 0.622 -4.770 5.791 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.320 -6.487 7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.251 -4.416 8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.578 -4.679 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.921 -3.470 7.504 1.00 0.00 H new ATOM 23 N ALA A 3 -3.144 -5.654 5.565 1.00 0.00 N ATOM 24 CA ALA A 3 -4.047 -5.179 4.528 1.00 0.00 C ATOM 25 C ALA A 3 -4.549 -3.781 4.890 1.00 0.00 C ATOM 26 O ALA A 3 -5.386 -3.592 5.772 1.00 0.00 O ATOM 27 CB ALA A 3 -5.189 -6.147 4.307 1.00 0.00 C ATOM 0 H ALA A 3 -3.545 -6.324 6.221 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.504 -5.118 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.846 -5.763 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.792 -7.115 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.754 -6.261 5.232 1.00 0.00 H new ATOM 33 N ILE A 4 -4.046 -2.790 4.176 1.00 0.00 N ATOM 34 CA ILE A 4 -4.322 -1.372 4.374 1.00 0.00 C ATOM 35 C ILE A 4 -5.440 -0.882 3.461 1.00 0.00 C ATOM 36 O ILE A 4 -5.688 -1.448 2.395 1.00 0.00 O ATOM 37 CB ILE A 4 -3.035 -0.574 4.164 1.00 0.00 C ATOM 38 CG1 ILE A 4 -2.442 -0.831 2.765 1.00 0.00 C ATOM 39 CG2 ILE A 4 -2.013 -0.964 5.234 1.00 0.00 C ATOM 40 CD1 ILE A 4 -2.475 0.430 1.921 1.00 0.00 C ATOM 0 H ILE A 4 -3.402 -2.957 3.403 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.671 -1.221 5.396 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.272 0.487 4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.415 -1.182 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.004 -1.621 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.095 -0.395 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.419 -0.745 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.796 -2.030 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.051 0.222 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.506 0.765 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.892 1.210 2.410 1.00 0.00 H new ATOM 52 N SER A 5 -6.078 0.219 3.834 1.00 0.00 N ATOM 53 CA SER A 5 -7.088 0.875 3.005 1.00 0.00 C ATOM 54 C SER A 5 -6.413 1.560 1.812 1.00 0.00 C ATOM 55 O SER A 5 -5.853 2.653 1.928 1.00 0.00 O ATOM 56 CB SER A 5 -7.917 1.879 3.814 1.00 0.00 C ATOM 57 OG SER A 5 -8.717 1.217 4.779 1.00 0.00 O ATOM 0 H SER A 5 -5.911 0.687 4.725 1.00 0.00 H new ATOM 0 HA SER A 5 -7.776 0.114 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.254 2.587 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.553 2.455 3.142 1.00 0.00 H new ATOM 0 HG SER A 5 -9.235 1.878 5.284 1.00 0.00 H new ATOM 63 N CYS A 6 -6.504 0.949 0.634 1.00 0.00 N ATOM 64 CA CYS A 6 -6.028 1.496 -0.647 1.00 0.00 C ATOM 65 C CYS A 6 -6.643 2.881 -0.953 1.00 0.00 C ATOM 66 O CYS A 6 -6.002 3.752 -1.537 1.00 0.00 O ATOM 67 CB CYS A 6 -6.401 0.486 -1.744 1.00 0.00 C ATOM 68 SG CYS A 6 -6.035 0.998 -3.444 1.00 0.00 S ATOM 0 H CYS A 6 -6.925 0.026 0.534 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.949 1.645 -0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.876 -0.448 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.468 0.275 -1.670 1.00 0.00 H new ATOM 73 N VAL A 7 -7.873 3.110 -0.490 1.00 0.00 N ATOM 74 CA VAL A 7 -8.614 4.377 -0.592 1.00 0.00 C ATOM 75 C VAL A 7 -8.100 5.511 0.301 1.00 0.00 C ATOM 76 O VAL A 7 -8.384 6.676 0.020 1.00 0.00 O ATOM 77 CB VAL A 7 -10.088 4.138 -0.222 1.00 0.00 C ATOM 78 CG1 VAL A 7 -10.781 3.322 -1.318 1.00 0.00 C ATOM 79 CG2 VAL A 7 -10.303 3.414 1.117 1.00 0.00 C ATOM 0 H VAL A 7 -8.408 2.386 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.476 4.697 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.518 5.135 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.824 3.159 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.733 3.866 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.280 2.360 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -11.371 3.289 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.824 2.436 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.867 4.004 1.923 1.00 0.00 H new ATOM 89 N GLY A 8 -7.358 5.182 1.360 1.00 0.00 N ATOM 90 CA GLY A 8 -6.985 6.061 2.474 1.00 0.00 C ATOM 91 C GLY A 8 -6.674 7.526 2.152 1.00 0.00 C ATOM 92 O GLY A 8 -7.380 8.430 2.599 1.00 0.00 O ATOM 0 H GLY A 8 -6.979 4.242 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.796 6.043 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.110 5.632 2.961 1.00 0.00 H new ATOM 96 N SER A 9 -5.599 7.749 1.392 1.00 0.00 N ATOM 97 CA SER A 9 -5.254 9.047 0.789 1.00 0.00 C ATOM 98 C SER A 9 -4.334 8.801 -0.417 1.00 0.00 C ATOM 99 O SER A 9 -4.798 9.004 -1.547 1.00 0.00 O ATOM 100 CB SER A 9 -4.692 10.010 1.842 1.00 0.00 C ATOM 101 OG SER A 9 -4.055 11.132 1.249 1.00 0.00 O ATOM 0 H SER A 9 -4.925 7.016 1.171 1.00 0.00 H new ATOM 0 HA SER A 9 -6.143 9.551 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.500 10.352 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.979 9.480 2.474 1.00 0.00 H new ATOM 0 HG SER A 9 -3.712 11.723 1.952 1.00 0.00 H new ATOM 107 N PRO A 10 -3.097 8.281 -0.222 1.00 0.00 N ATOM 108 CA PRO A 10 -2.279 7.735 -1.308 1.00 0.00 C ATOM 109 C PRO A 10 -2.844 6.369 -1.719 1.00 0.00 C ATOM 110 O PRO A 10 -3.750 5.854 -1.055 1.00 0.00 O ATOM 111 CB PRO A 10 -0.885 7.560 -0.703 1.00 0.00 C ATOM 112 CG PRO A 10 -1.225 7.123 0.720 1.00 0.00 C ATOM 113 CD PRO A 10 -2.433 8.000 1.056 1.00 0.00 C ATOM 0 HA PRO A 10 -2.264 8.376 -2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.299 6.810 -1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.310 8.486 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.467 6.062 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.396 7.294 1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.108 7.488 1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.121 8.923 1.545 1.00 0.00 H new ATOM 121 N GLU A 11 -2.244 5.725 -2.718 1.00 0.00 N ATOM 122 CA GLU A 11 -2.539 4.329 -3.072 1.00 0.00 C ATOM 123 C GLU A 11 -2.032 3.358 -1.984 1.00 0.00 C ATOM 124 O GLU A 11 -2.749 3.095 -1.021 1.00 0.00 O ATOM 125 CB GLU A 11 -2.003 3.980 -4.472 1.00 0.00 C ATOM 126 CG GLU A 11 -2.817 4.512 -5.675 1.00 0.00 C ATOM 127 CD GLU A 11 -2.697 6.042 -5.877 1.00 0.00 C ATOM 128 OE1 GLU A 11 -1.556 6.536 -5.970 1.00 0.00 O ATOM 129 OE2 GLU A 11 -3.713 6.784 -5.966 1.00 0.00 O ATOM 0 H GLU A 11 -1.535 6.155 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.622 4.213 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.985 4.362 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.943 2.895 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.482 4.007 -6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.867 4.254 -5.535 1.00 0.00 H new ATOM 136 N CYS A 12 -0.799 2.846 -2.071 1.00 0.00 N ATOM 137 CA CYS A 12 -0.345 1.762 -1.181 1.00 0.00 C ATOM 138 C CYS A 12 1.105 1.848 -0.648 1.00 0.00 C ATOM 139 O CYS A 12 1.255 1.923 0.575 1.00 0.00 O ATOM 140 CB CYS A 12 -0.645 0.404 -1.833 1.00 0.00 C ATOM 141 SG CYS A 12 -2.386 0.100 -2.228 1.00 0.00 S ATOM 0 H CYS A 12 -0.099 3.160 -2.743 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.925 1.887 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.062 0.324 -2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.298 -0.385 -1.166 1.00 0.00 H new ATOM 146 N PRO A 13 2.171 1.876 -1.478 1.00 0.00 N ATOM 147 CA PRO A 13 3.556 1.779 -1.014 1.00 0.00 C ATOM 148 C PRO A 13 3.961 2.730 0.137 1.00 0.00 C ATOM 149 O PRO A 13 4.601 2.241 1.073 1.00 0.00 O ATOM 150 CB PRO A 13 4.457 1.957 -2.243 1.00 0.00 C ATOM 151 CG PRO A 13 3.542 1.994 -3.462 1.00 0.00 C ATOM 152 CD PRO A 13 2.114 1.965 -2.923 1.00 0.00 C ATOM 0 HA PRO A 13 3.675 0.798 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.036 2.877 -2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.171 1.137 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.717 2.893 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.729 1.142 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.576 2.863 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.571 1.114 -3.334 1.00 0.00 H new ATOM 160 N PRO A 14 3.573 4.026 0.165 1.00 0.00 N ATOM 161 CA PRO A 14 3.937 4.926 1.271 1.00 0.00 C ATOM 162 C PRO A 14 3.069 4.740 2.534 1.00 0.00 C ATOM 163 O PRO A 14 3.427 5.232 3.609 1.00 0.00 O ATOM 164 CB PRO A 14 3.806 6.334 0.684 1.00 0.00 C ATOM 165 CG PRO A 14 2.663 6.184 -0.318 1.00 0.00 C ATOM 166 CD PRO A 14 2.859 4.773 -0.871 1.00 0.00 C ATOM 0 HA PRO A 14 4.945 4.715 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.575 7.072 1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.728 6.657 0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.691 6.296 0.162 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.718 6.935 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.900 4.306 -1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.430 4.794 -1.799 1.00 0.00 H new ATOM 174 N LYS A 15 1.942 4.018 2.417 1.00 0.00 N ATOM 175 CA LYS A 15 0.993 3.699 3.501 1.00 0.00 C ATOM 176 C LYS A 15 1.248 2.303 4.112 1.00 0.00 C ATOM 177 O LYS A 15 0.889 2.076 5.263 1.00 0.00 O ATOM 178 CB LYS A 15 -0.437 3.827 2.953 1.00 0.00 C ATOM 179 CG LYS A 15 -1.488 4.050 4.058 1.00 0.00 C ATOM 180 CD LYS A 15 -2.941 3.905 3.588 1.00 0.00 C ATOM 181 CE LYS A 15 -3.290 4.910 2.486 1.00 0.00 C ATOM 182 NZ LYS A 15 -3.688 4.255 1.215 1.00 0.00 N ATOM 0 H LYS A 15 1.653 3.622 1.523 1.00 0.00 H new ATOM 0 HA LYS A 15 1.137 4.407 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.477 4.658 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.689 2.924 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.307 3.339 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.352 5.047 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.104 2.892 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.612 4.048 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.102 5.551 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.431 5.555 2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.058 4.970 0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.861 3.789 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.425 3.546 1.406 1.00 0.00 H new ATOM 196 N CYS A 16 1.888 1.387 3.368 1.00 0.00 N ATOM 197 CA CYS A 16 2.242 0.020 3.796 1.00 0.00 C ATOM 198 C CYS A 16 3.028 -0.027 5.116 1.00 0.00 C ATOM 199 O CYS A 16 2.858 -0.947 5.913 1.00 0.00 O ATOM 200 CB CYS A 16 3.093 -0.642 2.700 1.00 0.00 C ATOM 201 SG CYS A 16 2.224 -1.148 1.202 1.00 0.00 S ATOM 0 H CYS A 16 2.186 1.584 2.413 1.00 0.00 H new ATOM 0 HA CYS A 16 1.303 -0.509 3.960 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.885 0.052 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.576 -1.521 3.127 1.00 0.00 H new ATOM 206 N ARG A 17 3.873 0.976 5.363 1.00 0.00 N ATOM 207 CA ARG A 17 4.561 1.268 6.623 1.00 0.00 C ATOM 208 C ARG A 17 4.912 2.750 6.707 1.00 0.00 C ATOM 209 O ARG A 17 4.919 3.435 5.686 1.00 0.00 O ATOM 210 CB ARG A 17 5.806 0.389 6.788 1.00 0.00 C ATOM 211 CG ARG A 17 6.963 0.727 5.838 1.00 0.00 C ATOM 212 CD ARG A 17 8.101 -0.292 5.928 1.00 0.00 C ATOM 213 NE ARG A 17 8.577 -0.468 7.312 1.00 0.00 N ATOM 214 CZ ARG A 17 9.809 -0.447 7.786 1.00 0.00 C ATOM 215 NH1 ARG A 17 10.859 -0.312 7.028 1.00 0.00 N ATOM 216 NH2 ARG A 17 9.987 -0.517 9.071 1.00 0.00 N ATOM 0 H ARG A 17 4.111 1.653 4.638 1.00 0.00 H new ATOM 0 HA ARG A 17 3.885 1.033 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.161 0.475 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.521 -0.652 6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.591 0.764 4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.347 1.720 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.761 -1.251 5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.929 0.033 5.298 1.00 0.00 H new ATOM 0 HE ARG A 17 7.847 -0.630 8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.750 -0.216 6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.790 -0.302 7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.183 -0.587 9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.931 -0.502 9.457 1.00 0.00 H new ATOM 230 N ALA A 18 5.307 3.216 7.881 1.00 0.00 N ATOM 231 CA ALA A 18 5.530 4.633 8.169 1.00 0.00 C ATOM 232 C ALA A 18 6.631 5.294 7.298 1.00 0.00 C ATOM 233 O ALA A 18 6.479 6.424 6.830 1.00 0.00 O ATOM 234 CB ALA A 18 5.822 4.707 9.672 1.00 0.00 C ATOM 0 H ALA A 18 5.487 2.610 8.681 1.00 0.00 H new ATOM 0 HA ALA A 18 4.647 5.216 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.999 5.744 9.958 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.969 4.318 10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.706 4.111 9.901 1.00 0.00 H new ATOM 240 N GLN A 19 7.700 4.558 6.996 1.00 0.00 N ATOM 241 CA GLN A 19 8.814 4.925 6.100 1.00 0.00 C ATOM 242 C GLN A 19 8.640 4.453 4.637 1.00 0.00 C ATOM 243 O GLN A 19 9.444 4.775 3.756 1.00 0.00 O ATOM 244 CB GLN A 19 10.150 4.506 6.726 1.00 0.00 C ATOM 245 CG GLN A 19 10.277 3.029 7.091 1.00 0.00 C ATOM 246 CD GLN A 19 9.621 2.692 8.424 1.00 0.00 C ATOM 247 OE1 GLN A 19 8.450 2.350 8.486 1.00 0.00 O ATOM 248 NE2 GLN A 19 10.295 2.849 9.537 1.00 0.00 N ATOM 0 H GLN A 19 7.826 3.627 7.393 1.00 0.00 H new ATOM 0 HA GLN A 19 8.809 6.011 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.951 4.760 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.310 5.099 7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.824 2.425 6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.332 2.759 7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.274 3.134 9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.841 2.686 10.436 1.00 0.00 H new ATOM 257 N GLY A 20 7.558 3.718 4.374 1.00 0.00 N ATOM 258 CA GLY A 20 7.154 3.197 3.072 1.00 0.00 C ATOM 259 C GLY A 20 7.940 1.999 2.529 1.00 0.00 C ATOM 260 O GLY A 20 9.026 1.638 2.995 1.00 0.00 O ATOM 0 H GLY A 20 6.903 3.456 5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.103 2.914 3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.226 4.007 2.346 1.00 0.00 H new ATOM 264 N CYS A 21 7.317 1.369 1.537 1.00 0.00 N ATOM 265 CA CYS A 21 7.692 0.105 0.900 1.00 0.00 C ATOM 266 C CYS A 21 7.904 0.230 -0.621 1.00 0.00 C ATOM 267 O CYS A 21 7.434 1.175 -1.256 1.00 0.00 O ATOM 268 CB CYS A 21 6.560 -0.891 1.186 1.00 0.00 C ATOM 269 SG CYS A 21 6.561 -1.634 2.840 1.00 0.00 S ATOM 0 H CYS A 21 6.470 1.758 1.123 1.00 0.00 H new ATOM 0 HA CYS A 21 8.647 -0.225 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.608 -0.382 1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.611 -1.692 0.449 1.00 0.00 H new ATOM 274 N LYS A 22 8.519 -0.797 -1.228 1.00 0.00 N ATOM 275 CA LYS A 22 8.805 -0.866 -2.675 1.00 0.00 C ATOM 276 C LYS A 22 7.558 -0.853 -3.576 1.00 0.00 C ATOM 277 O LYS A 22 7.467 -0.015 -4.472 1.00 0.00 O ATOM 278 CB LYS A 22 9.649 -2.116 -2.984 1.00 0.00 C ATOM 279 CG LYS A 22 11.102 -2.052 -2.474 1.00 0.00 C ATOM 280 CD LYS A 22 11.308 -3.002 -1.290 1.00 0.00 C ATOM 281 CE LYS A 22 12.744 -2.964 -0.764 1.00 0.00 C ATOM 282 NZ LYS A 22 12.796 -3.486 0.619 1.00 0.00 N ATOM 0 H LYS A 22 8.839 -1.621 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 22 9.355 0.046 -2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.161 -2.985 -2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.663 -2.271 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.787 -2.316 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.341 -1.032 -2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.621 -2.734 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.061 -4.019 -1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.391 -3.558 -1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.121 -1.942 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.776 -3.455 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.193 -2.902 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.455 -4.468 0.632 1.00 0.00 H new ATOM 296 N ASN A 23 6.607 -1.767 -3.353 1.00 0.00 N ATOM 297 CA ASN A 23 5.475 -2.036 -4.256 1.00 0.00 C ATOM 298 C ASN A 23 4.221 -2.535 -3.507 1.00 0.00 C ATOM 299 O ASN A 23 4.332 -3.117 -2.424 1.00 0.00 O ATOM 300 CB ASN A 23 5.922 -3.088 -5.294 1.00 0.00 C ATOM 301 CG ASN A 23 6.876 -2.524 -6.333 1.00 0.00 C ATOM 302 OD1 ASN A 23 8.080 -2.711 -6.276 1.00 0.00 O ATOM 303 ND2 ASN A 23 6.365 -1.798 -7.292 1.00 0.00 N ATOM 0 H ASN A 23 6.600 -2.356 -2.520 1.00 0.00 H new ATOM 0 HA ASN A 23 5.195 -1.101 -4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.404 -3.918 -4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.043 -3.492 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.974 -1.384 -7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.357 -1.645 -7.334 1.00 0.00 H new ATOM 310 N GLY A 24 3.037 -2.360 -4.106 1.00 0.00 N ATOM 311 CA GLY A 24 1.761 -2.901 -3.610 1.00 0.00 C ATOM 312 C GLY A 24 0.586 -2.760 -4.596 1.00 0.00 C ATOM 313 O GLY A 24 0.528 -1.801 -5.367 1.00 0.00 O ATOM 0 H GLY A 24 2.935 -1.826 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.895 -3.956 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.502 -2.395 -2.680 1.00 0.00 H new ATOM 317 N LYS A 25 -0.358 -3.714 -4.555 1.00 0.00 N ATOM 318 CA LYS A 25 -1.454 -3.920 -5.530 1.00 0.00 C ATOM 319 C LYS A 25 -2.836 -3.823 -4.867 1.00 0.00 C ATOM 320 O LYS A 25 -3.082 -4.480 -3.854 1.00 0.00 O ATOM 321 CB LYS A 25 -1.210 -5.285 -6.207 1.00 0.00 C ATOM 322 CG LYS A 25 -2.264 -5.751 -7.227 1.00 0.00 C ATOM 323 CD LYS A 25 -3.317 -6.692 -6.613 1.00 0.00 C ATOM 324 CE LYS A 25 -4.316 -7.228 -7.647 1.00 0.00 C ATOM 325 NZ LYS A 25 -5.281 -6.201 -8.091 1.00 0.00 N ATOM 0 H LYS A 25 -0.383 -4.402 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.452 -3.131 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.244 -5.247 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.134 -6.042 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.765 -4.879 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.765 -6.261 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.812 -7.531 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.861 -6.160 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.770 -7.606 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.859 -8.071 -7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.084 -6.661 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.625 -5.669 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.814 -5.549 -8.754 1.00 0.00 H new ATOM 339 N CYS A 26 -3.727 -3.002 -5.425 1.00 0.00 N ATOM 340 CA CYS A 26 -5.032 -2.666 -4.838 1.00 0.00 C ATOM 341 C CYS A 26 -6.103 -3.760 -5.047 1.00 0.00 C ATOM 342 O CYS A 26 -5.986 -4.622 -5.919 1.00 0.00 O ATOM 343 CB CYS A 26 -5.472 -1.304 -5.396 1.00 0.00 C ATOM 344 SG CYS A 26 -6.868 -0.465 -4.595 1.00 0.00 S ATOM 0 H CYS A 26 -3.561 -2.540 -6.319 1.00 0.00 H new ATOM 0 HA CYS A 26 -4.921 -2.606 -3.755 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.613 -0.634 -5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.723 -1.440 -6.448 1.00 0.00 H new ATOM 349 N MET A 27 -7.144 -3.731 -4.219 1.00 0.00 N ATOM 350 CA MET A 27 -8.259 -4.690 -4.147 1.00 0.00 C ATOM 351 C MET A 27 -9.584 -3.907 -3.984 1.00 0.00 C ATOM 352 O MET A 27 -9.615 -2.699 -4.235 1.00 0.00 O ATOM 353 CB MET A 27 -7.968 -5.643 -2.962 1.00 0.00 C ATOM 354 CG MET A 27 -6.760 -6.551 -3.224 1.00 0.00 C ATOM 355 SD MET A 27 -6.184 -7.480 -1.778 1.00 0.00 S ATOM 356 CE MET A 27 -5.073 -8.636 -2.629 1.00 0.00 C ATOM 0 H MET A 27 -7.244 -2.986 -3.529 1.00 0.00 H new ATOM 0 HA MET A 27 -8.357 -5.287 -5.053 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.788 -5.055 -2.062 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.847 -6.259 -2.770 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.018 -7.257 -4.014 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.938 -5.941 -3.598 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.780 -9.431 -1.943 1.00 0.00 H new ATOM 0 HE2 MET A 27 -5.586 -9.068 -3.488 1.00 0.00 H new ATOM 0 HE3 MET A 27 -4.184 -8.104 -2.968 1.00 0.00 H new ATOM 366 N ASN A 28 -10.686 -4.549 -3.573 1.00 0.00 N ATOM 367 CA ASN A 28 -11.908 -3.857 -3.147 1.00 0.00 C ATOM 368 C ASN A 28 -11.574 -3.165 -1.813 1.00 0.00 C ATOM 369 O ASN A 28 -11.517 -3.806 -0.759 1.00 0.00 O ATOM 370 CB ASN A 28 -13.087 -4.842 -3.042 1.00 0.00 C ATOM 371 CG ASN A 28 -14.383 -4.195 -2.563 1.00 0.00 C ATOM 372 OD1 ASN A 28 -14.479 -2.990 -2.342 1.00 0.00 O ATOM 373 ND2 ASN A 28 -15.423 -4.977 -2.399 1.00 0.00 N ATOM 0 H ASN A 28 -10.754 -5.566 -3.527 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.228 -3.111 -3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.257 -5.297 -4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.818 -5.646 -2.357 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.312 -4.585 -2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -15.343 -5.977 -2.583 1.00 0.00 H new ATOM 380 N ARG A 29 -11.277 -1.869 -1.925 1.00 0.00 N ATOM 381 CA ARG A 29 -10.680 -0.902 -0.990 1.00 0.00 C ATOM 382 C ARG A 29 -9.491 -1.316 -0.125 1.00 0.00 C ATOM 383 O ARG A 29 -8.838 -0.423 0.408 1.00 0.00 O ATOM 384 CB ARG A 29 -11.741 -0.155 -0.186 1.00 0.00 C ATOM 385 CG ARG A 29 -12.536 -1.092 0.720 1.00 0.00 C ATOM 386 CD ARG A 29 -13.409 -0.263 1.649 1.00 0.00 C ATOM 387 NE ARG A 29 -14.374 -1.141 2.313 1.00 0.00 N ATOM 388 CZ ARG A 29 -15.277 -0.837 3.223 1.00 0.00 C ATOM 389 NH1 ARG A 29 -15.441 0.362 3.705 1.00 0.00 N ATOM 390 NH2 ARG A 29 -16.052 -1.782 3.654 1.00 0.00 N ATOM 0 H ARG A 29 -11.480 -1.401 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.186 -0.230 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.262 0.615 0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.422 0.354 -0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.154 -1.760 0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.859 -1.719 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.792 0.245 2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.931 0.510 1.084 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.343 -2.121 2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.852 1.128 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.159 0.535 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.953 -2.729 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.761 -1.579 4.358 1.00 0.00 H new ATOM 404 N LYS A 30 -9.141 -2.595 -0.008 1.00 0.00 N ATOM 405 CA LYS A 30 -7.891 -3.066 0.605 1.00 0.00 C ATOM 406 C LYS A 30 -6.726 -3.040 -0.393 1.00 0.00 C ATOM 407 O LYS A 30 -6.902 -2.709 -1.563 1.00 0.00 O ATOM 408 CB LYS A 30 -8.102 -4.450 1.250 1.00 0.00 C ATOM 409 CG LYS A 30 -8.914 -4.395 2.555 1.00 0.00 C ATOM 410 CD LYS A 30 -8.205 -3.610 3.677 1.00 0.00 C ATOM 411 CE LYS A 30 -8.892 -3.887 5.013 1.00 0.00 C ATOM 412 NZ LYS A 30 -8.120 -3.384 6.171 1.00 0.00 N ATOM 0 H LYS A 30 -9.731 -3.356 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.611 -2.378 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.612 -5.100 0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.130 -4.900 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.882 -3.936 2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.108 -5.411 2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.156 -3.900 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.230 -2.542 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.879 -3.424 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.044 -4.961 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.407 -3.897 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.105 -3.533 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.305 -2.368 6.297 1.00 0.00 H new ATOM 426 N CYS A 31 -5.533 -3.388 0.068 1.00 0.00 N ATOM 427 CA CYS A 31 -4.332 -3.547 -0.748 1.00 0.00 C ATOM 428 C CYS A 31 -3.475 -4.706 -0.229 1.00 0.00 C ATOM 429 O CYS A 31 -3.613 -5.108 0.931 1.00 0.00 O ATOM 430 CB CYS A 31 -3.543 -2.230 -0.714 1.00 0.00 C ATOM 431 SG CYS A 31 -2.543 -1.915 -2.185 1.00 0.00 S ATOM 0 H CYS A 31 -5.366 -3.575 1.057 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.612 -3.781 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.244 -1.405 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.890 -2.235 0.159 1.00 0.00 H new ATOM 436 N LYS A 32 -2.569 -5.211 -1.070 1.00 0.00 N ATOM 437 CA LYS A 32 -1.497 -6.133 -0.670 1.00 0.00 C ATOM 438 C LYS A 32 -0.141 -5.500 -0.970 1.00 0.00 C ATOM 439 O LYS A 32 0.144 -5.150 -2.115 1.00 0.00 O ATOM 440 CB LYS A 32 -1.687 -7.508 -1.332 1.00 0.00 C ATOM 441 CG LYS A 32 -0.566 -8.480 -0.919 1.00 0.00 C ATOM 442 CD LYS A 32 -0.782 -9.906 -1.437 1.00 0.00 C ATOM 443 CE LYS A 32 -1.909 -10.621 -0.679 1.00 0.00 C ATOM 444 NZ LYS A 32 -2.068 -12.014 -1.156 1.00 0.00 N ATOM 0 H LYS A 32 -2.557 -4.988 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.539 -6.310 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.655 -7.922 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.694 -7.396 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.387 -8.105 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.496 -8.502 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.021 -9.875 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.143 -10.474 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.691 -10.621 0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.844 -10.078 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.836 -12.476 -0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.299 -12.009 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.181 -12.536 -1.005 1.00 0.00 H new ATOM 458 N CYS A 33 0.691 -5.361 0.053 1.00 0.00 N ATOM 459 CA CYS A 33 2.068 -4.881 -0.035 1.00 0.00 C ATOM 460 C CYS A 33 2.986 -6.054 -0.436 1.00 0.00 C ATOM 461 O CYS A 33 2.835 -7.170 0.068 1.00 0.00 O ATOM 462 CB CYS A 33 2.424 -4.217 1.303 1.00 0.00 C ATOM 463 SG CYS A 33 1.289 -2.866 1.763 1.00 0.00 S ATOM 0 H CYS A 33 0.416 -5.589 1.008 1.00 0.00 H new ATOM 0 HA CYS A 33 2.201 -4.125 -0.809 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.416 -4.972 2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.440 -3.826 1.247 1.00 0.00 H new ATOM 468 N TYR A 34 3.886 -5.837 -1.401 1.00 0.00 N ATOM 469 CA TYR A 34 4.658 -6.916 -2.034 1.00 0.00 C ATOM 470 C TYR A 34 6.009 -7.126 -1.330 1.00 0.00 C ATOM 471 O TYR A 34 6.047 -7.694 -0.240 1.00 0.00 O ATOM 472 CB TYR A 34 4.740 -6.715 -3.566 1.00 0.00 C ATOM 473 CG TYR A 34 3.503 -7.053 -4.402 1.00 0.00 C ATOM 474 CD1 TYR A 34 2.214 -7.188 -3.836 1.00 0.00 C ATOM 475 CD2 TYR A 34 3.666 -7.291 -5.781 1.00 0.00 C ATOM 476 CE1 TYR A 34 1.119 -7.575 -4.628 1.00 0.00 C ATOM 477 CE2 TYR A 34 2.571 -7.685 -6.579 1.00 0.00 C ATOM 478 CZ TYR A 34 1.294 -7.840 -5.999 1.00 0.00 C ATOM 479 OH TYR A 34 0.227 -8.247 -6.740 1.00 0.00 O ATOM 0 H TYR A 34 4.101 -4.909 -1.766 1.00 0.00 H new ATOM 0 HA TYR A 34 4.130 -7.861 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.994 -5.672 -3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.569 -7.317 -3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.069 -6.992 -2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.640 -7.171 -6.232 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.140 -7.669 -4.183 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.710 -7.868 -7.634 1.00 0.00 H new ATOM 0 HH TYR A 34 0.508 -8.388 -7.668 1.00 0.00 H new ATOM 489 N TYR A 35 7.104 -6.620 -1.907 1.00 0.00 N ATOM 490 CA TYR A 35 8.505 -6.885 -1.535 1.00 0.00 C ATOM 491 C TYR A 35 8.992 -6.235 -0.220 1.00 0.00 C ATOM 492 O TYR A 35 10.176 -5.917 -0.083 1.00 0.00 O ATOM 493 CB TYR A 35 9.390 -6.493 -2.734 1.00 0.00 C ATOM 494 CG TYR A 35 8.907 -6.979 -4.093 1.00 0.00 C ATOM 495 CD1 TYR A 35 8.898 -8.357 -4.396 1.00 0.00 C ATOM 496 CD2 TYR A 35 8.472 -6.049 -5.056 1.00 0.00 C ATOM 497 CE1 TYR A 35 8.471 -8.796 -5.665 1.00 0.00 C ATOM 498 CE2 TYR A 35 8.028 -6.487 -6.317 1.00 0.00 C ATOM 499 CZ TYR A 35 8.041 -7.861 -6.632 1.00 0.00 C ATOM 500 OH TYR A 35 7.659 -8.282 -7.869 1.00 0.00 O ATOM 0 H TYR A 35 7.036 -5.975 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 35 8.581 -7.949 -1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.470 -5.406 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.394 -6.882 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.218 -9.075 -3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.479 -4.994 -4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.473 -9.850 -5.899 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.677 -5.770 -7.044 1.00 0.00 H new ATOM 0 HH TYR A 35 7.392 -7.509 -8.409 1.00 0.00 H new ATOM 510 N CYS A 36 8.084 -5.975 0.726 1.00 0.00 N ATOM 511 CA CYS A 36 8.308 -5.238 1.975 1.00 0.00 C ATOM 512 C CYS A 36 7.260 -5.577 3.046 1.00 0.00 C ATOM 513 O CYS A 36 6.047 -5.582 2.723 1.00 0.00 O ATOM 514 CB CYS A 36 8.303 -3.754 1.599 1.00 0.00 C ATOM 515 SG CYS A 36 8.382 -2.540 2.937 1.00 0.00 S ATOM 516 OXT CYS A 36 7.652 -5.834 4.204 1.00 0.00 O ATOM 0 H CYS A 36 7.118 -6.291 0.636 1.00 0.00 H new ATOM 0 HA CYS A 36 9.259 -5.518 2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.149 -3.575 0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.398 -3.558 1.023 1.00 0.00 H new TER 521 CYS A 36