USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 309 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 Set 1.1: A 118 TYR OH : rot -130:sc= 0.151 USER MOD Set 1.2: A 123 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.194 USER MOD Single : A 92 MET CE :methyl -124:sc= -2.23 (180deg=-4.49!) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0058 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 107 LYS NZ :NH3+ 161:sc= -0.0185! (180deg=-1.83!) USER MOD Single : A 111 SER OG : rot -77:sc= 0.311 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -97:sc= 0.743 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc=-0.00345 X(o=-0.0034,f=-0.0034) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 64.184 14.286 2.339 1.00 0.00 N ATOM 2 CA GLY A 82 64.282 15.347 1.297 1.00 0.00 C ATOM 3 C GLY A 82 63.947 16.724 1.835 1.00 0.00 C ATOM 4 O GLY A 82 64.466 17.136 2.873 1.00 0.00 O ATOM 0 HA2 GLY A 82 65.292 15.357 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 82 63.607 15.108 0.475 1.00 0.00 H new ATOM 10 N SER A 83 63.075 17.437 1.130 1.00 0.00 N ATOM 11 CA SER A 83 62.671 18.775 1.545 1.00 0.00 C ATOM 12 C SER A 83 61.707 18.707 2.724 1.00 0.00 C ATOM 13 O SER A 83 62.089 18.956 3.868 1.00 0.00 O ATOM 14 CB SER A 83 62.017 19.518 0.377 1.00 0.00 C ATOM 15 OG SER A 83 62.992 20.139 -0.443 1.00 0.00 O ATOM 0 H SER A 83 62.635 17.111 0.269 1.00 0.00 H new ATOM 0 HA SER A 83 63.563 19.319 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 83 61.428 18.820 -0.218 1.00 0.00 H new ATOM 0 HB3 SER A 83 61.328 20.270 0.761 1.00 0.00 H new ATOM 0 HG SER A 83 62.549 20.605 -1.182 1.00 0.00 H new ATOM 21 N GLY A 84 60.456 18.363 2.439 1.00 0.00 N ATOM 22 CA GLY A 84 59.448 18.259 3.477 1.00 0.00 C ATOM 23 C GLY A 84 58.215 17.533 2.978 1.00 0.00 C ATOM 24 O GLY A 84 57.683 17.866 1.919 1.00 0.00 O ATOM 0 H GLY A 84 60.120 18.153 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 84 59.861 17.730 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 84 59.172 19.256 3.819 1.00 0.00 H new ATOM 28 N SER A 85 57.768 16.527 3.723 1.00 0.00 N ATOM 29 CA SER A 85 56.602 15.750 3.319 1.00 0.00 C ATOM 30 C SER A 85 56.893 15.032 2.004 1.00 0.00 C ATOM 31 O SER A 85 56.122 15.117 1.048 1.00 0.00 O ATOM 32 CB SER A 85 55.377 16.656 3.166 1.00 0.00 C ATOM 33 OG SER A 85 54.178 15.900 3.172 1.00 0.00 O ATOM 0 H SER A 85 58.192 16.232 4.603 1.00 0.00 H new ATOM 0 HA SER A 85 56.387 15.012 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 85 55.356 17.384 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 85 55.451 17.218 2.235 1.00 0.00 H new ATOM 0 HG SER A 85 53.411 16.502 3.074 1.00 0.00 H new ATOM 39 N GLU A 86 58.026 14.337 1.967 1.00 0.00 N ATOM 40 CA GLU A 86 58.450 13.612 0.775 1.00 0.00 C ATOM 41 C GLU A 86 57.610 12.357 0.557 1.00 0.00 C ATOM 42 O GLU A 86 56.933 11.884 1.469 1.00 0.00 O ATOM 43 CB GLU A 86 59.930 13.239 0.881 1.00 0.00 C ATOM 44 CG GLU A 86 60.869 14.331 0.392 1.00 0.00 C ATOM 45 CD GLU A 86 61.533 13.984 -0.927 1.00 0.00 C ATOM 46 OE1 GLU A 86 61.035 14.437 -1.980 1.00 0.00 O ATOM 47 OE2 GLU A 86 62.550 13.260 -0.907 1.00 0.00 O ATOM 0 H GLU A 86 58.670 14.261 2.754 1.00 0.00 H new ATOM 0 HA GLU A 86 58.305 14.268 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.164 13.008 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.110 12.332 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.311 15.261 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.637 14.509 1.145 1.00 0.00 H new ATOM 54 N PRO A 87 57.642 11.806 -0.668 1.00 0.00 N ATOM 55 CA PRO A 87 56.881 10.609 -1.019 1.00 0.00 C ATOM 56 C PRO A 87 57.609 9.319 -0.657 1.00 0.00 C ATOM 57 O PRO A 87 58.763 9.115 -1.034 1.00 0.00 O ATOM 58 CB PRO A 87 56.751 10.737 -2.533 1.00 0.00 C ATOM 59 CG PRO A 87 58.014 11.407 -2.956 1.00 0.00 C ATOM 60 CD PRO A 87 58.418 12.314 -1.818 1.00 0.00 C ATOM 0 HA PRO A 87 55.933 10.550 -0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 87 56.640 9.762 -3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.876 11.326 -2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 87 58.793 10.673 -3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 87 57.863 11.978 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.490 12.265 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 87 58.179 13.356 -2.033 1.00 0.00 H new ATOM 68 N ALA A 88 56.916 8.441 0.057 1.00 0.00 N ATOM 69 CA ALA A 88 57.475 7.158 0.453 1.00 0.00 C ATOM 70 C ALA A 88 56.783 6.041 -0.316 1.00 0.00 C ATOM 71 O ALA A 88 55.753 6.267 -0.944 1.00 0.00 O ATOM 72 CB ALA A 88 57.324 6.950 1.952 1.00 0.00 C ATOM 0 H ALA A 88 55.959 8.597 0.375 1.00 0.00 H new ATOM 0 HA ALA A 88 58.539 7.145 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.748 5.985 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.849 7.744 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.267 6.972 2.218 1.00 0.00 H new ATOM 78 N VAL A 89 57.340 4.839 -0.271 1.00 0.00 N ATOM 79 CA VAL A 89 56.744 3.716 -0.982 1.00 0.00 C ATOM 80 C VAL A 89 56.767 2.446 -0.143 1.00 0.00 C ATOM 81 O VAL A 89 57.818 2.026 0.340 1.00 0.00 O ATOM 82 CB VAL A 89 57.464 3.452 -2.318 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.708 2.421 -3.142 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.631 4.749 -3.097 1.00 0.00 C ATOM 0 H VAL A 89 58.193 4.617 0.243 1.00 0.00 H new ATOM 0 HA VAL A 89 55.708 3.989 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 89 58.455 3.051 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.234 2.249 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.645 1.486 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.703 2.788 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 89 58.141 4.545 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.651 5.179 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.221 5.453 -2.510 1.00 0.00 H new ATOM 94 N CYS A 90 55.599 1.836 0.018 1.00 0.00 N ATOM 95 CA CYS A 90 55.482 0.607 0.791 1.00 0.00 C ATOM 96 C CYS A 90 56.060 -0.570 0.013 1.00 0.00 C ATOM 97 O CYS A 90 55.508 -0.987 -1.002 1.00 0.00 O ATOM 98 CB CYS A 90 54.021 0.332 1.139 1.00 0.00 C ATOM 99 SG CYS A 90 53.800 -0.943 2.399 1.00 0.00 S ATOM 0 H CYS A 90 54.720 2.172 -0.376 1.00 0.00 H new ATOM 0 HA CYS A 90 56.047 0.730 1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.560 1.257 1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.492 0.032 0.235 1.00 0.00 H new ATOM 104 N GLU A 91 57.186 -1.087 0.484 1.00 0.00 N ATOM 105 CA GLU A 91 57.854 -2.201 -0.178 1.00 0.00 C ATOM 106 C GLU A 91 56.955 -3.432 -0.294 1.00 0.00 C ATOM 107 O GLU A 91 57.208 -4.309 -1.119 1.00 0.00 O ATOM 108 CB GLU A 91 59.129 -2.569 0.583 1.00 0.00 C ATOM 109 CG GLU A 91 60.339 -1.746 0.179 1.00 0.00 C ATOM 110 CD GLU A 91 60.139 -0.260 0.408 1.00 0.00 C ATOM 111 OE1 GLU A 91 59.792 0.124 1.545 1.00 0.00 O ATOM 112 OE2 GLU A 91 60.331 0.519 -0.549 1.00 0.00 O ATOM 0 H GLU A 91 57.658 -0.753 1.324 1.00 0.00 H new ATOM 0 HA GLU A 91 58.100 -1.876 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.954 -2.441 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.347 -3.624 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 91 61.208 -2.083 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.557 -1.921 -0.875 1.00 0.00 H new ATOM 119 N MET A 92 55.925 -3.516 0.544 1.00 0.00 N ATOM 120 CA MET A 92 55.035 -4.674 0.520 1.00 0.00 C ATOM 121 C MET A 92 53.769 -4.426 -0.302 1.00 0.00 C ATOM 122 O MET A 92 53.486 -5.164 -1.246 1.00 0.00 O ATOM 123 CB MET A 92 54.653 -5.070 1.946 1.00 0.00 C ATOM 124 CG MET A 92 54.143 -6.496 2.063 1.00 0.00 C ATOM 125 SD MET A 92 55.468 -7.716 1.973 1.00 0.00 S ATOM 126 CE MET A 92 54.860 -8.959 3.109 1.00 0.00 C ATOM 0 H MET A 92 55.688 -2.808 1.239 1.00 0.00 H new ATOM 0 HA MET A 92 55.581 -5.486 0.039 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.522 -4.949 2.593 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.886 -4.387 2.311 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.611 -6.611 3.008 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.423 -6.687 1.267 1.00 0.00 H new ATOM 0 HE1 MET A 92 55.606 -9.141 3.882 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.937 -8.609 3.571 1.00 0.00 H new ATOM 0 HE3 MET A 92 54.667 -9.884 2.566 1.00 0.00 H new ATOM 136 N CYS A 93 52.994 -3.412 0.071 1.00 0.00 N ATOM 137 CA CYS A 93 51.746 -3.105 -0.622 1.00 0.00 C ATOM 138 C CYS A 93 51.970 -2.265 -1.877 1.00 0.00 C ATOM 139 O CYS A 93 51.175 -2.323 -2.816 1.00 0.00 O ATOM 140 CB CYS A 93 50.795 -2.360 0.321 1.00 0.00 C ATOM 141 SG CYS A 93 50.638 -3.099 1.965 1.00 0.00 S ATOM 0 H CYS A 93 53.208 -2.789 0.849 1.00 0.00 H new ATOM 0 HA CYS A 93 51.308 -4.055 -0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.143 -1.333 0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.808 -2.316 -0.139 1.00 0.00 H new ATOM 146 N GLY A 94 53.036 -1.473 -1.889 1.00 0.00 N ATOM 147 CA GLY A 94 53.312 -0.626 -3.036 1.00 0.00 C ATOM 148 C GLY A 94 52.519 0.666 -2.995 1.00 0.00 C ATOM 149 O GLY A 94 52.329 1.321 -4.020 1.00 0.00 O ATOM 0 H GLY A 94 53.712 -1.402 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.377 -0.396 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.075 -1.168 -3.952 1.00 0.00 H new ATOM 153 N ILE A 95 52.064 1.035 -1.801 1.00 0.00 N ATOM 154 CA ILE A 95 51.298 2.259 -1.611 1.00 0.00 C ATOM 155 C ILE A 95 52.233 3.428 -1.335 1.00 0.00 C ATOM 156 O ILE A 95 53.110 3.340 -0.477 1.00 0.00 O ATOM 157 CB ILE A 95 50.280 2.100 -0.449 1.00 0.00 C ATOM 158 CG1 ILE A 95 48.849 2.232 -0.974 1.00 0.00 C ATOM 159 CG2 ILE A 95 50.529 3.112 0.665 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.331 0.976 -1.640 1.00 0.00 C ATOM 0 H ILE A 95 52.215 0.499 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 95 50.742 2.459 -2.527 1.00 0.00 H new ATOM 0 HB ILE A 95 50.416 1.104 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 95 48.190 2.493 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.807 3.055 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 95 49.796 2.967 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 95 51.532 2.971 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 95 50.437 4.122 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 95 47.311 1.142 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.967 0.725 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 95 48.341 0.154 -0.924 1.00 0.00 H new ATOM 172 N VAL A 96 52.058 4.514 -2.079 1.00 0.00 N ATOM 173 CA VAL A 96 52.900 5.688 -1.916 1.00 0.00 C ATOM 174 C VAL A 96 52.159 6.806 -1.185 1.00 0.00 C ATOM 175 O VAL A 96 50.998 7.091 -1.479 1.00 0.00 O ATOM 176 CB VAL A 96 53.383 6.214 -3.280 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.518 7.206 -3.099 1.00 0.00 C ATOM 178 CG2 VAL A 96 53.817 5.066 -4.177 1.00 0.00 C ATOM 0 H VAL A 96 51.341 4.604 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 96 53.760 5.383 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 96 52.550 6.727 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 96 54.845 7.566 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.173 8.048 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.351 6.717 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.154 5.461 -5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.633 4.521 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 96 52.976 4.392 -4.338 1.00 0.00 H new ATOM 188 N GLY A 97 52.845 7.444 -0.240 1.00 0.00 N ATOM 189 CA GLY A 97 52.252 8.536 0.513 1.00 0.00 C ATOM 190 C GLY A 97 53.296 9.540 0.963 1.00 0.00 C ATOM 191 O GLY A 97 54.446 9.469 0.540 1.00 0.00 O ATOM 0 H GLY A 97 53.806 7.222 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.505 9.038 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.732 8.137 1.384 1.00 0.00 H new ATOM 195 N THR A 98 52.909 10.466 1.834 1.00 0.00 N ATOM 196 CA THR A 98 53.844 11.466 2.343 1.00 0.00 C ATOM 197 C THR A 98 54.499 10.967 3.627 1.00 0.00 C ATOM 198 O THR A 98 53.836 10.385 4.484 1.00 0.00 O ATOM 199 CB THR A 98 53.133 12.794 2.597 1.00 0.00 C ATOM 200 OG1 THR A 98 52.272 12.695 3.717 1.00 0.00 O ATOM 201 CG2 THR A 98 52.306 13.265 1.420 1.00 0.00 C ATOM 0 H THR A 98 51.961 10.546 2.201 1.00 0.00 H new ATOM 0 HA THR A 98 54.616 11.629 1.590 1.00 0.00 H new ATOM 0 HB THR A 98 53.928 13.519 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.827 13.556 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 98 51.828 14.213 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 98 52.952 13.399 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.542 12.522 1.192 1.00 0.00 H new ATOM 209 N ARG A 99 55.809 11.170 3.741 1.00 0.00 N ATOM 210 CA ARG A 99 56.570 10.716 4.904 1.00 0.00 C ATOM 211 C ARG A 99 55.854 10.978 6.229 1.00 0.00 C ATOM 212 O ARG A 99 55.921 10.161 7.147 1.00 0.00 O ATOM 213 CB ARG A 99 57.945 11.388 4.923 1.00 0.00 C ATOM 214 CG ARG A 99 59.008 10.615 4.159 1.00 0.00 C ATOM 215 CD ARG A 99 60.335 11.358 4.144 1.00 0.00 C ATOM 216 NE ARG A 99 61.174 11.005 5.287 1.00 0.00 N ATOM 217 CZ ARG A 99 61.892 9.887 5.362 1.00 0.00 C ATOM 218 NH1 ARG A 99 61.875 9.011 4.364 1.00 0.00 N ATOM 219 NH2 ARG A 99 62.628 9.643 6.437 1.00 0.00 N ATOM 0 H ARG A 99 56.370 11.650 3.037 1.00 0.00 H new ATOM 0 HA ARG A 99 56.676 9.636 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.858 12.388 4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.268 11.509 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 99 59.144 9.634 4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.672 10.447 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 99 60.867 11.131 3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 99 60.149 12.432 4.149 1.00 0.00 H new ATOM 0 HE ARG A 99 61.212 11.653 6.073 1.00 0.00 H new ATOM 0 HH11 ARG A 99 61.310 9.194 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 99 62.427 8.156 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 99 62.644 10.312 7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 99 63.178 8.786 6.495 1.00 0.00 H new ATOM 233 N GLU A 100 55.185 12.120 6.341 1.00 0.00 N ATOM 234 CA GLU A 100 54.484 12.468 7.576 1.00 0.00 C ATOM 235 C GLU A 100 53.131 11.758 7.692 1.00 0.00 C ATOM 236 O GLU A 100 52.340 12.059 8.586 1.00 0.00 O ATOM 237 CB GLU A 100 54.284 13.982 7.659 1.00 0.00 C ATOM 238 CG GLU A 100 53.605 14.570 6.433 1.00 0.00 C ATOM 239 CD GLU A 100 52.267 15.206 6.754 1.00 0.00 C ATOM 240 OE1 GLU A 100 52.212 16.449 6.864 1.00 0.00 O ATOM 241 OE2 GLU A 100 51.274 14.462 6.895 1.00 0.00 O ATOM 0 H GLU A 100 55.112 12.817 5.600 1.00 0.00 H new ATOM 0 HA GLU A 100 55.105 12.133 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.688 14.214 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 100 55.253 14.462 7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 100 54.259 15.317 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 100 53.461 13.785 5.691 1.00 0.00 H new ATOM 248 N ALA A 101 52.875 10.815 6.793 1.00 0.00 N ATOM 249 CA ALA A 101 51.625 10.064 6.805 1.00 0.00 C ATOM 250 C ALA A 101 51.882 8.586 7.082 1.00 0.00 C ATOM 251 O ALA A 101 51.075 7.911 7.722 1.00 0.00 O ATOM 252 CB ALA A 101 50.891 10.238 5.483 1.00 0.00 C ATOM 0 H ALA A 101 53.517 10.552 6.046 1.00 0.00 H new ATOM 0 HA ALA A 101 50.999 10.455 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.960 9.672 5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.670 11.294 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.517 9.873 4.669 1.00 0.00 H new ATOM 258 N PHE A 102 53.006 8.089 6.580 1.00 0.00 N ATOM 259 CA PHE A 102 53.373 6.689 6.752 1.00 0.00 C ATOM 260 C PHE A 102 53.844 6.390 8.172 1.00 0.00 C ATOM 261 O PHE A 102 54.208 7.290 8.929 1.00 0.00 O ATOM 262 CB PHE A 102 54.472 6.308 5.761 1.00 0.00 C ATOM 263 CG PHE A 102 53.952 5.829 4.436 1.00 0.00 C ATOM 264 CD1 PHE A 102 52.814 6.389 3.876 1.00 0.00 C ATOM 265 CD2 PHE A 102 54.602 4.815 3.753 1.00 0.00 C ATOM 266 CE1 PHE A 102 52.335 5.945 2.659 1.00 0.00 C ATOM 267 CE2 PHE A 102 54.128 4.368 2.535 1.00 0.00 C ATOM 268 CZ PHE A 102 52.993 4.934 1.988 1.00 0.00 C ATOM 0 H PHE A 102 53.682 8.638 6.048 1.00 0.00 H new ATOM 0 HA PHE A 102 52.479 6.095 6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 102 55.117 7.172 5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.091 5.527 6.202 1.00 0.00 H new ATOM 0 HD1 PHE A 102 52.297 7.181 4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.489 4.369 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 102 51.447 6.388 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 102 54.644 3.577 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.621 4.586 1.036 1.00 0.00 H new ATOM 278 N PHE A 103 53.825 5.104 8.516 1.00 0.00 N ATOM 279 CA PHE A 103 54.238 4.636 9.837 1.00 0.00 C ATOM 280 C PHE A 103 55.530 5.321 10.278 1.00 0.00 C ATOM 281 O PHE A 103 56.333 5.736 9.447 1.00 0.00 O ATOM 282 CB PHE A 103 54.438 3.118 9.789 1.00 0.00 C ATOM 283 CG PHE A 103 54.480 2.451 11.134 1.00 0.00 C ATOM 284 CD1 PHE A 103 53.628 2.844 12.153 1.00 0.00 C ATOM 285 CD2 PHE A 103 55.372 1.418 11.371 1.00 0.00 C ATOM 286 CE1 PHE A 103 53.666 2.218 13.384 1.00 0.00 C ATOM 287 CE2 PHE A 103 55.415 0.790 12.600 1.00 0.00 C ATOM 288 CZ PHE A 103 54.562 1.190 13.608 1.00 0.00 C ATOM 0 H PHE A 103 53.524 4.359 7.888 1.00 0.00 H new ATOM 0 HA PHE A 103 53.462 4.885 10.561 1.00 0.00 H new ATOM 0 HB2 PHE A 103 53.631 2.677 9.204 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.368 2.904 9.262 1.00 0.00 H new ATOM 0 HD1 PHE A 103 52.927 3.648 11.983 1.00 0.00 H new ATOM 0 HD2 PHE A 103 56.042 1.100 10.585 1.00 0.00 H new ATOM 0 HE1 PHE A 103 52.996 2.532 14.171 1.00 0.00 H new ATOM 0 HE2 PHE A 103 56.116 -0.014 12.772 1.00 0.00 H new ATOM 0 HZ PHE A 103 54.594 0.701 14.570 1.00 0.00 H new ATOM 298 N SER A 104 55.717 5.454 11.587 1.00 0.00 N ATOM 299 CA SER A 104 56.907 6.109 12.123 1.00 0.00 C ATOM 300 C SER A 104 57.983 5.095 12.501 1.00 0.00 C ATOM 301 O SER A 104 59.158 5.275 12.181 1.00 0.00 O ATOM 302 CB SER A 104 56.539 6.956 13.344 1.00 0.00 C ATOM 303 OG SER A 104 55.374 7.723 13.100 1.00 0.00 O ATOM 0 H SER A 104 55.063 5.119 12.295 1.00 0.00 H new ATOM 0 HA SER A 104 57.310 6.754 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 104 56.377 6.307 14.205 1.00 0.00 H new ATOM 0 HB3 SER A 104 57.368 7.618 13.595 1.00 0.00 H new ATOM 0 HG SER A 104 55.159 8.254 13.895 1.00 0.00 H new ATOM 309 N LYS A 105 57.578 4.037 13.195 1.00 0.00 N ATOM 310 CA LYS A 105 58.510 2.999 13.633 1.00 0.00 C ATOM 311 C LYS A 105 59.429 2.543 12.498 1.00 0.00 C ATOM 312 O LYS A 105 60.647 2.473 12.668 1.00 0.00 O ATOM 313 CB LYS A 105 57.743 1.801 14.196 1.00 0.00 C ATOM 314 CG LYS A 105 58.346 1.239 15.473 1.00 0.00 C ATOM 315 CD LYS A 105 59.684 0.568 15.210 1.00 0.00 C ATOM 316 CE LYS A 105 59.840 -0.705 16.028 1.00 0.00 C ATOM 317 NZ LYS A 105 61.224 -0.864 16.557 1.00 0.00 N ATOM 0 H LYS A 105 56.609 3.874 13.468 1.00 0.00 H new ATOM 0 HA LYS A 105 59.135 3.430 14.415 1.00 0.00 H new ATOM 0 HB2 LYS A 105 56.713 2.099 14.391 1.00 0.00 H new ATOM 0 HB3 LYS A 105 57.710 1.014 13.442 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.477 2.042 16.199 1.00 0.00 H new ATOM 0 HG3 LYS A 105 57.658 0.519 15.915 1.00 0.00 H new ATOM 0 HD2 LYS A 105 59.772 0.333 14.149 1.00 0.00 H new ATOM 0 HD3 LYS A 105 60.492 1.258 15.452 1.00 0.00 H new ATOM 0 HE2 LYS A 105 59.134 -0.691 16.858 1.00 0.00 H new ATOM 0 HE3 LYS A 105 59.587 -1.566 15.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 61.286 -1.744 17.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 61.896 -0.904 15.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 61.457 -0.056 17.168 1.00 0.00 H new ATOM 331 N THR A 106 58.844 2.227 11.346 1.00 0.00 N ATOM 332 CA THR A 106 59.623 1.771 10.197 1.00 0.00 C ATOM 333 C THR A 106 59.738 2.863 9.135 1.00 0.00 C ATOM 334 O THR A 106 60.831 3.144 8.643 1.00 0.00 O ATOM 335 CB THR A 106 58.987 0.520 9.588 1.00 0.00 C ATOM 336 OG1 THR A 106 57.680 0.799 9.117 1.00 0.00 O ATOM 337 CG2 THR A 106 58.888 -0.636 10.560 1.00 0.00 C ATOM 0 H THR A 106 57.838 2.278 11.183 1.00 0.00 H new ATOM 0 HA THR A 106 60.626 1.531 10.549 1.00 0.00 H new ATOM 0 HB THR A 106 59.647 0.230 8.771 1.00 0.00 H new ATOM 0 HG1 THR A 106 57.291 -0.013 8.730 1.00 0.00 H new ATOM 0 HG21 THR A 106 58.428 -1.490 10.064 1.00 0.00 H new ATOM 0 HG22 THR A 106 59.886 -0.910 10.903 1.00 0.00 H new ATOM 0 HG23 THR A 106 58.279 -0.342 11.415 1.00 0.00 H new ATOM 345 N LYS A 107 58.601 3.465 8.782 1.00 0.00 N ATOM 346 CA LYS A 107 58.553 4.526 7.770 1.00 0.00 C ATOM 347 C LYS A 107 58.507 3.942 6.362 1.00 0.00 C ATOM 348 O LYS A 107 57.694 4.359 5.537 1.00 0.00 O ATOM 349 CB LYS A 107 59.746 5.484 7.914 1.00 0.00 C ATOM 350 CG LYS A 107 59.573 6.815 7.188 1.00 0.00 C ATOM 351 CD LYS A 107 58.290 7.534 7.597 1.00 0.00 C ATOM 352 CE LYS A 107 57.510 8.044 6.394 1.00 0.00 C ATOM 353 NZ LYS A 107 57.618 7.142 5.212 1.00 0.00 N ATOM 0 H LYS A 107 57.693 3.234 9.185 1.00 0.00 H new ATOM 0 HA LYS A 107 57.637 5.094 7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.914 5.680 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.641 4.991 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 107 60.429 7.456 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 107 59.562 6.641 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.662 6.854 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 107 58.537 8.371 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 107 56.460 8.154 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.874 9.035 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 56.842 7.344 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 58.529 7.300 4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 57.558 6.152 5.524 1.00 0.00 H new ATOM 367 N ARG A 108 59.371 2.972 6.092 1.00 0.00 N ATOM 368 CA ARG A 108 59.409 2.333 4.783 1.00 0.00 C ATOM 369 C ARG A 108 58.074 1.661 4.478 1.00 0.00 C ATOM 370 O ARG A 108 57.532 1.797 3.381 1.00 0.00 O ATOM 371 CB ARG A 108 60.538 1.305 4.724 1.00 0.00 C ATOM 372 CG ARG A 108 61.923 1.928 4.720 1.00 0.00 C ATOM 373 CD ARG A 108 62.963 0.973 5.279 1.00 0.00 C ATOM 374 NE ARG A 108 62.914 0.904 6.737 1.00 0.00 N ATOM 375 CZ ARG A 108 63.505 -0.050 7.452 1.00 0.00 C ATOM 376 NH1 ARG A 108 64.197 -1.009 6.848 1.00 0.00 N ATOM 377 NH2 ARG A 108 63.406 -0.045 8.774 1.00 0.00 N ATOM 0 H ARG A 108 60.053 2.611 6.759 1.00 0.00 H new ATOM 0 HA ARG A 108 59.594 3.101 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.453 0.633 5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.419 0.697 3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.194 2.208 3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.913 2.844 5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 108 62.803 -0.022 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.956 1.294 4.964 1.00 0.00 H new ATOM 0 HE ARG A 108 62.397 1.628 7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 108 64.277 -1.017 5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 108 64.648 -1.738 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 108 62.877 0.690 9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 108 63.859 -0.776 9.322 1.00 0.00 H new ATOM 391 N PHE A 109 57.547 0.943 5.464 1.00 0.00 N ATOM 392 CA PHE A 109 56.270 0.256 5.311 1.00 0.00 C ATOM 393 C PHE A 109 55.141 1.102 5.894 1.00 0.00 C ATOM 394 O PHE A 109 55.336 1.819 6.877 1.00 0.00 O ATOM 395 CB PHE A 109 56.314 -1.115 5.988 1.00 0.00 C ATOM 396 CG PHE A 109 57.568 -1.892 5.688 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.739 -2.521 4.463 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.576 -1.992 6.634 1.00 0.00 C ATOM 399 CE1 PHE A 109 58.892 -3.233 4.189 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.730 -2.703 6.364 1.00 0.00 C ATOM 401 CZ PHE A 109 59.888 -3.324 5.140 1.00 0.00 C ATOM 0 H PHE A 109 57.984 0.822 6.377 1.00 0.00 H new ATOM 0 HA PHE A 109 56.081 0.108 4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.228 -0.982 7.066 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.450 -1.697 5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 109 56.963 -2.454 3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.458 -1.509 7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 109 59.013 -3.718 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.508 -2.773 7.110 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.789 -3.880 4.928 1.00 0.00 H new ATOM 411 N CYS A 110 53.969 1.035 5.272 1.00 0.00 N ATOM 412 CA CYS A 110 52.814 1.809 5.709 1.00 0.00 C ATOM 413 C CYS A 110 52.267 1.332 7.055 1.00 0.00 C ATOM 414 O CYS A 110 51.403 1.985 7.639 1.00 0.00 O ATOM 415 CB CYS A 110 51.713 1.733 4.645 1.00 0.00 C ATOM 416 SG CYS A 110 51.046 0.069 4.384 1.00 0.00 S ATOM 0 H CYS A 110 53.794 0.447 4.457 1.00 0.00 H new ATOM 0 HA CYS A 110 53.141 2.840 5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.899 2.398 4.933 1.00 0.00 H new ATOM 0 HB3 CYS A 110 52.110 2.106 3.701 1.00 0.00 H new ATOM 421 N SER A 111 52.755 0.195 7.545 1.00 0.00 N ATOM 422 CA SER A 111 52.280 -0.336 8.820 1.00 0.00 C ATOM 423 C SER A 111 53.311 -1.252 9.470 1.00 0.00 C ATOM 424 O SER A 111 54.181 -1.804 8.797 1.00 0.00 O ATOM 425 CB SER A 111 50.975 -1.108 8.612 1.00 0.00 C ATOM 426 OG SER A 111 51.231 -2.461 8.266 1.00 0.00 O ATOM 0 H SER A 111 53.469 -0.370 7.086 1.00 0.00 H new ATOM 0 HA SER A 111 52.110 0.511 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.377 -1.069 9.522 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.389 -0.633 7.825 1.00 0.00 H new ATOM 0 HG SER A 111 51.506 -2.512 7.327 1.00 0.00 H new ATOM 432 N VAL A 112 53.191 -1.426 10.785 1.00 0.00 N ATOM 433 CA VAL A 112 54.096 -2.295 11.524 1.00 0.00 C ATOM 434 C VAL A 112 53.935 -3.733 11.051 1.00 0.00 C ATOM 435 O VAL A 112 54.907 -4.484 10.958 1.00 0.00 O ATOM 436 CB VAL A 112 53.844 -2.225 13.044 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.425 -2.659 13.374 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.858 -3.075 13.797 1.00 0.00 C ATOM 0 H VAL A 112 52.476 -0.976 11.357 1.00 0.00 H new ATOM 0 HA VAL A 112 55.112 -1.950 11.333 1.00 0.00 H new ATOM 0 HB VAL A 112 53.965 -1.190 13.363 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.268 -2.602 14.451 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.717 -2.002 12.869 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.271 -3.685 13.039 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.662 -3.012 14.867 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.775 -4.113 13.474 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.864 -2.710 13.590 1.00 0.00 H new ATOM 448 N SER A 113 52.695 -4.104 10.735 1.00 0.00 N ATOM 449 CA SER A 113 52.400 -5.445 10.249 1.00 0.00 C ATOM 450 C SER A 113 53.223 -5.732 9.002 1.00 0.00 C ATOM 451 O SER A 113 53.811 -6.805 8.864 1.00 0.00 O ATOM 452 CB SER A 113 50.909 -5.586 9.939 1.00 0.00 C ATOM 453 OG SER A 113 50.508 -6.945 9.970 1.00 0.00 O ATOM 0 H SER A 113 51.881 -3.493 10.808 1.00 0.00 H new ATOM 0 HA SER A 113 52.661 -6.165 11.024 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.328 -5.016 10.664 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.697 -5.163 8.957 1.00 0.00 H new ATOM 0 HG SER A 113 49.551 -7.008 9.770 1.00 0.00 H new ATOM 459 N CYS A 114 53.277 -4.752 8.105 1.00 0.00 N ATOM 460 CA CYS A 114 54.050 -4.886 6.877 1.00 0.00 C ATOM 461 C CYS A 114 55.522 -5.123 7.209 1.00 0.00 C ATOM 462 O CYS A 114 56.259 -5.722 6.426 1.00 0.00 O ATOM 463 CB CYS A 114 53.906 -3.629 6.015 1.00 0.00 C ATOM 464 SG CYS A 114 52.412 -3.595 4.996 1.00 0.00 S ATOM 0 H CYS A 114 52.795 -3.859 8.206 1.00 0.00 H new ATOM 0 HA CYS A 114 53.668 -5.740 6.317 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.909 -2.754 6.665 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.777 -3.546 5.365 1.00 0.00 H new ATOM 469 N SER A 115 55.938 -4.648 8.382 1.00 0.00 N ATOM 470 CA SER A 115 57.315 -4.807 8.831 1.00 0.00 C ATOM 471 C SER A 115 57.580 -6.250 9.251 1.00 0.00 C ATOM 472 O SER A 115 58.521 -6.888 8.769 1.00 0.00 O ATOM 473 CB SER A 115 57.605 -3.855 9.998 1.00 0.00 C ATOM 474 OG SER A 115 57.448 -4.505 11.248 1.00 0.00 O ATOM 0 H SER A 115 55.337 -4.149 9.038 1.00 0.00 H new ATOM 0 HA SER A 115 57.978 -4.561 8.002 1.00 0.00 H new ATOM 0 HB2 SER A 115 58.621 -3.470 9.912 1.00 0.00 H new ATOM 0 HB3 SER A 115 56.934 -2.998 9.945 1.00 0.00 H new ATOM 0 HG SER A 115 56.558 -4.311 11.608 1.00 0.00 H new ATOM 480 N ARG A 116 56.728 -6.772 10.129 1.00 0.00 N ATOM 481 CA ARG A 116 56.861 -8.148 10.589 1.00 0.00 C ATOM 482 C ARG A 116 56.528 -9.116 9.460 1.00 0.00 C ATOM 483 O ARG A 116 56.939 -10.276 9.481 1.00 0.00 O ATOM 484 CB ARG A 116 55.944 -8.404 11.787 1.00 0.00 C ATOM 485 CG ARG A 116 54.466 -8.236 11.473 1.00 0.00 C ATOM 486 CD ARG A 116 53.621 -9.268 12.202 1.00 0.00 C ATOM 487 NE ARG A 116 52.369 -9.544 11.502 1.00 0.00 N ATOM 488 CZ ARG A 116 51.628 -10.630 11.708 1.00 0.00 C ATOM 489 NH1 ARG A 116 52.005 -11.542 12.595 1.00 0.00 N ATOM 490 NH2 ARG A 116 50.504 -10.805 11.025 1.00 0.00 N ATOM 0 H ARG A 116 55.942 -6.264 10.534 1.00 0.00 H new ATOM 0 HA ARG A 116 57.893 -8.309 10.900 1.00 0.00 H new ATOM 0 HB2 ARG A 116 56.115 -9.416 12.155 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.215 -7.722 12.593 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.144 -7.234 11.757 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.308 -8.329 10.398 1.00 0.00 H new ATOM 0 HD2 ARG A 116 54.189 -10.192 12.307 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.402 -8.912 13.209 1.00 0.00 H new ATOM 0 HE ARG A 116 52.043 -8.864 10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 116 52.868 -11.413 13.124 1.00 0.00 H new ATOM 0 HH12 ARG A 116 51.432 -12.372 12.748 1.00 0.00 H new ATOM 0 HH21 ARG A 116 50.208 -10.107 10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 116 49.936 -11.637 11.183 1.00 0.00 H new ATOM 504 N SER A 117 55.794 -8.624 8.465 1.00 0.00 N ATOM 505 CA SER A 117 55.421 -9.436 7.318 1.00 0.00 C ATOM 506 C SER A 117 56.593 -9.541 6.351 1.00 0.00 C ATOM 507 O SER A 117 57.002 -10.638 5.973 1.00 0.00 O ATOM 508 CB SER A 117 54.204 -8.835 6.610 1.00 0.00 C ATOM 509 OG SER A 117 53.011 -9.494 6.998 1.00 0.00 O ATOM 0 H SER A 117 55.447 -7.665 8.433 1.00 0.00 H new ATOM 0 HA SER A 117 55.159 -10.435 7.667 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.130 -7.773 6.846 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.332 -8.914 5.530 1.00 0.00 H new ATOM 0 HG SER A 117 52.248 -9.090 6.533 1.00 0.00 H new ATOM 515 N TYR A 118 57.136 -8.392 5.960 1.00 0.00 N ATOM 516 CA TYR A 118 58.267 -8.349 5.043 1.00 0.00 C ATOM 517 C TYR A 118 59.498 -9.006 5.662 1.00 0.00 C ATOM 518 O TYR A 118 60.381 -9.485 4.949 1.00 0.00 O ATOM 519 CB TYR A 118 58.582 -6.894 4.686 1.00 0.00 C ATOM 520 CG TYR A 118 59.261 -6.719 3.348 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.564 -7.155 3.144 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.599 -6.111 2.290 1.00 0.00 C ATOM 523 CE1 TYR A 118 61.187 -6.990 1.920 1.00 0.00 C ATOM 524 CE2 TYR A 118 59.213 -5.943 1.066 1.00 0.00 C ATOM 525 CZ TYR A 118 60.507 -6.383 0.885 1.00 0.00 C ATOM 526 OH TYR A 118 61.122 -6.215 -0.335 1.00 0.00 O ATOM 0 H TYR A 118 56.809 -7.476 6.266 1.00 0.00 H new ATOM 0 HA TYR A 118 58.002 -8.901 4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.654 -6.322 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.219 -6.471 5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 118 61.099 -7.630 3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.586 -5.763 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 118 62.200 -7.335 1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.682 -5.469 0.253 1.00 0.00 H new ATOM 0 HH TYR A 118 61.021 -5.285 -0.627 1.00 0.00 H new ATOM 536 N SER A 119 59.553 -9.027 6.991 1.00 0.00 N ATOM 537 CA SER A 119 60.681 -9.629 7.694 1.00 0.00 C ATOM 538 C SER A 119 60.532 -11.146 7.778 1.00 0.00 C ATOM 539 O SER A 119 61.419 -11.892 7.363 1.00 0.00 O ATOM 540 CB SER A 119 60.806 -9.040 9.099 1.00 0.00 C ATOM 541 OG SER A 119 61.974 -9.513 9.749 1.00 0.00 O ATOM 0 H SER A 119 58.834 -8.636 7.600 1.00 0.00 H new ATOM 0 HA SER A 119 61.586 -9.404 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 119 60.835 -7.952 9.039 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.927 -9.304 9.687 1.00 0.00 H new ATOM 0 HG SER A 119 62.032 -9.120 10.645 1.00 0.00 H new ATOM 547 N SER A 120 59.409 -11.589 8.327 1.00 0.00 N ATOM 548 CA SER A 120 59.138 -13.016 8.481 1.00 0.00 C ATOM 549 C SER A 120 58.657 -13.638 7.172 1.00 0.00 C ATOM 550 O SER A 120 59.193 -14.650 6.721 1.00 0.00 O ATOM 551 CB SER A 120 58.091 -13.242 9.573 1.00 0.00 C ATOM 552 OG SER A 120 58.679 -13.202 10.862 1.00 0.00 O ATOM 0 H SER A 120 58.668 -10.981 8.675 1.00 0.00 H new ATOM 0 HA SER A 120 60.072 -13.500 8.766 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.315 -12.480 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 120 57.606 -14.206 9.421 1.00 0.00 H new ATOM 0 HG SER A 120 57.988 -13.348 11.541 1.00 0.00 H new ATOM 558 N ASN A 121 57.633 -13.035 6.577 1.00 0.00 N ATOM 559 CA ASN A 121 57.064 -13.535 5.330 1.00 0.00 C ATOM 560 C ASN A 121 57.958 -13.219 4.134 1.00 0.00 C ATOM 561 O ASN A 121 57.642 -13.588 3.003 1.00 0.00 O ATOM 562 CB ASN A 121 55.672 -12.939 5.108 1.00 0.00 C ATOM 563 CG ASN A 121 54.811 -13.798 4.204 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.449 -14.922 4.555 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.477 -13.272 3.031 1.00 0.00 N ATOM 0 H ASN A 121 57.179 -12.197 6.939 1.00 0.00 H new ATOM 0 HA ASN A 121 56.988 -14.619 5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 121 55.175 -12.818 6.070 1.00 0.00 H new ATOM 0 HB3 ASN A 121 55.771 -11.945 4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 121 53.898 -13.803 2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.799 -12.337 2.781 1.00 0.00 H new ATOM 572 N SER A 122 59.075 -12.544 4.384 1.00 0.00 N ATOM 573 CA SER A 122 60.008 -12.192 3.326 1.00 0.00 C ATOM 574 C SER A 122 59.320 -11.386 2.222 1.00 0.00 C ATOM 575 O SER A 122 58.270 -10.783 2.445 1.00 0.00 O ATOM 576 CB SER A 122 60.647 -13.457 2.744 1.00 0.00 C ATOM 577 OG SER A 122 60.967 -14.385 3.766 1.00 0.00 O ATOM 0 H SER A 122 59.354 -12.230 5.313 1.00 0.00 H new ATOM 0 HA SER A 122 60.788 -11.566 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 122 59.963 -13.918 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 122 61.550 -13.192 2.194 1.00 0.00 H new ATOM 0 HG SER A 122 61.372 -15.184 3.368 1.00 0.00 H new ATOM 583 N LYS A 123 59.920 -11.378 1.033 1.00 0.00 N ATOM 584 CA LYS A 123 59.367 -10.645 -0.101 1.00 0.00 C ATOM 585 C LYS A 123 59.199 -11.560 -1.311 1.00 0.00 C ATOM 586 O LYS A 123 60.181 -11.992 -1.915 1.00 0.00 O ATOM 587 CB LYS A 123 60.275 -9.468 -0.464 1.00 0.00 C ATOM 588 CG LYS A 123 61.648 -9.892 -0.963 1.00 0.00 C ATOM 589 CD LYS A 123 62.688 -8.806 -0.734 1.00 0.00 C ATOM 590 CE LYS A 123 63.077 -8.122 -2.035 1.00 0.00 C ATOM 591 NZ LYS A 123 61.942 -7.361 -2.625 1.00 0.00 N ATOM 0 H LYS A 123 60.790 -11.872 0.831 1.00 0.00 H new ATOM 0 HA LYS A 123 58.386 -10.267 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 123 59.788 -8.867 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 123 60.396 -8.830 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 123 61.956 -10.804 -0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 123 61.593 -10.125 -2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 123 62.295 -8.066 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 123 63.574 -9.241 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 123 63.912 -7.445 -1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 123 63.422 -8.870 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 62.311 -6.568 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 61.383 -7.990 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 61.337 -6.993 -1.863 1.00 0.00 H new ATOM 605 N LYS A 124 57.951 -11.851 -1.662 1.00 0.00 N ATOM 606 CA LYS A 124 57.661 -12.713 -2.802 1.00 0.00 C ATOM 607 C LYS A 124 56.226 -12.519 -3.281 1.00 0.00 C ATOM 608 O LYS A 124 56.026 -12.382 -4.506 1.00 0.00 O ATOM 609 CB LYS A 124 57.894 -14.179 -2.433 1.00 0.00 C ATOM 610 CG LYS A 124 58.310 -15.046 -3.610 1.00 0.00 C ATOM 611 CD LYS A 124 59.722 -14.720 -4.069 1.00 0.00 C ATOM 612 CE LYS A 124 60.058 -15.417 -5.378 1.00 0.00 C ATOM 613 NZ LYS A 124 61.459 -15.151 -5.807 1.00 0.00 N ATOM 614 OXT LYS A 124 55.314 -12.506 -2.428 1.00 0.00 O ATOM 0 H LYS A 124 57.125 -11.503 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 124 58.336 -12.438 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 124 58.664 -14.233 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 124 56.980 -14.585 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 124 58.251 -16.097 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 124 57.614 -14.898 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 124 59.826 -13.642 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 124 60.434 -15.023 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 124 59.911 -16.491 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 124 59.371 -15.081 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 61.647 -15.644 -6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 61.593 -14.128 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 62.116 -15.495 -5.078 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 51.964 -1.864 3.460 1.00 0.00 ZN