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 104 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -119:sc= -1.54 (180deg=-4.01!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00713 USER MOD Single : A 85 SER OG : rot 180:sc= -1.97! USER MOD Single : A 92 MET CE :methyl -134:sc= -0.884 (180deg=-2.1!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.039) USER MOD Single : A 106 THR OG1 : rot -160:sc= 0 USER MOD Single : A 111 SER OG : rot -73:sc= 0.395 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 86:sc= 0.597 USER MOD Single : A 118 TYR OH : rot 89:sc= 0.516 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 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 74:sc= 0.33 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 63.915 19.656 5.236 1.00 0.00 N ATOM 2 CA GLY A 82 64.179 18.376 4.522 1.00 0.00 C ATOM 3 C GLY A 82 62.978 17.451 4.529 1.00 0.00 C ATOM 4 O GLY A 82 62.585 16.924 3.488 1.00 0.00 O ATOM 0 HA2 GLY A 82 64.463 18.590 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 82 65.025 17.871 4.988 1.00 0.00 H new ATOM 10 N SER A 83 62.395 17.252 5.708 1.00 0.00 N ATOM 11 CA SER A 83 61.231 16.382 5.853 1.00 0.00 C ATOM 12 C SER A 83 60.156 16.723 4.824 1.00 0.00 C ATOM 13 O SER A 83 59.841 15.915 3.951 1.00 0.00 O ATOM 14 CB SER A 83 60.655 16.501 7.265 1.00 0.00 C ATOM 15 OG SER A 83 60.378 17.853 7.591 1.00 0.00 O ATOM 0 H SER A 83 62.710 17.682 6.578 1.00 0.00 H new ATOM 0 HA SER A 83 61.556 15.356 5.682 1.00 0.00 H new ATOM 0 HB2 SER A 83 59.741 15.911 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 83 61.361 16.087 7.985 1.00 0.00 H new ATOM 0 HG SER A 83 60.009 17.902 8.498 1.00 0.00 H new ATOM 21 N GLY A 84 59.598 17.926 4.934 1.00 0.00 N ATOM 22 CA GLY A 84 58.564 18.355 4.007 1.00 0.00 C ATOM 23 C GLY A 84 57.483 17.308 3.808 1.00 0.00 C ATOM 24 O GLY A 84 56.689 17.046 4.712 1.00 0.00 O ATOM 0 H GLY A 84 59.843 18.611 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 84 58.110 19.274 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 84 59.019 18.589 3.045 1.00 0.00 H new ATOM 28 N SER A 85 57.453 16.711 2.621 1.00 0.00 N ATOM 29 CA SER A 85 56.463 15.688 2.303 1.00 0.00 C ATOM 30 C SER A 85 57.064 14.612 1.401 1.00 0.00 C ATOM 31 O SER A 85 56.451 14.197 0.417 1.00 0.00 O ATOM 32 CB SER A 85 55.245 16.323 1.626 1.00 0.00 C ATOM 33 OG SER A 85 54.039 15.876 2.220 1.00 0.00 O ATOM 0 H SER A 85 58.103 16.918 1.863 1.00 0.00 H new ATOM 0 HA SER A 85 56.147 15.218 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 85 55.309 17.409 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 85 55.245 16.075 0.565 1.00 0.00 H new ATOM 0 HG SER A 85 53.277 16.298 1.771 1.00 0.00 H new ATOM 39 N GLU A 86 58.269 14.164 1.742 1.00 0.00 N ATOM 40 CA GLU A 86 58.954 13.138 0.961 1.00 0.00 C ATOM 41 C GLU A 86 58.107 11.869 0.860 1.00 0.00 C ATOM 42 O GLU A 86 57.819 11.227 1.870 1.00 0.00 O ATOM 43 CB GLU A 86 60.305 12.808 1.596 1.00 0.00 C ATOM 44 CG GLU A 86 61.338 13.910 1.431 1.00 0.00 C ATOM 45 CD GLU A 86 62.200 13.718 0.198 1.00 0.00 C ATOM 46 OE1 GLU A 86 63.441 13.695 0.340 1.00 0.00 O ATOM 47 OE2 GLU A 86 61.634 13.590 -0.908 1.00 0.00 O ATOM 0 H GLU A 86 58.791 14.495 2.553 1.00 0.00 H new ATOM 0 HA GLU A 86 59.113 13.528 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.160 12.613 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.691 11.890 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.831 14.873 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.975 13.941 2.315 1.00 0.00 H new ATOM 54 N PRO A 87 57.692 11.485 -0.364 1.00 0.00 N ATOM 55 CA PRO A 87 56.875 10.286 -0.581 1.00 0.00 C ATOM 56 C PRO A 87 57.645 8.998 -0.301 1.00 0.00 C ATOM 57 O PRO A 87 58.803 8.856 -0.695 1.00 0.00 O ATOM 58 CB PRO A 87 56.491 10.361 -2.068 1.00 0.00 C ATOM 59 CG PRO A 87 56.838 11.746 -2.502 1.00 0.00 C ATOM 60 CD PRO A 87 57.975 12.182 -1.627 1.00 0.00 C ATOM 0 HA PRO A 87 56.017 10.262 0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 87 57.036 9.619 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.429 10.160 -2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 87 57.126 11.765 -3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 87 55.984 12.414 -2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 87 58.940 11.893 -2.042 1.00 0.00 H new ATOM 0 HD3 PRO A 87 57.995 13.264 -1.497 1.00 0.00 H new ATOM 68 N ALA A 88 56.993 8.061 0.381 1.00 0.00 N ATOM 69 CA ALA A 88 57.611 6.781 0.713 1.00 0.00 C ATOM 70 C ALA A 88 56.770 5.620 0.192 1.00 0.00 C ATOM 71 O ALA A 88 55.630 5.427 0.615 1.00 0.00 O ATOM 72 CB ALA A 88 57.808 6.662 2.218 1.00 0.00 C ATOM 0 H ALA A 88 56.035 8.164 0.715 1.00 0.00 H new ATOM 0 HA ALA A 88 58.587 6.738 0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 88 58.270 5.702 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 88 58.454 7.469 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.842 6.730 2.718 1.00 0.00 H new ATOM 78 N VAL A 89 57.337 4.853 -0.732 1.00 0.00 N ATOM 79 CA VAL A 89 56.635 3.715 -1.315 1.00 0.00 C ATOM 80 C VAL A 89 56.712 2.488 -0.413 1.00 0.00 C ATOM 81 O VAL A 89 57.770 2.167 0.129 1.00 0.00 O ATOM 82 CB VAL A 89 57.206 3.354 -2.700 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.329 2.316 -3.388 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.348 4.600 -3.561 1.00 0.00 C ATOM 0 H VAL A 89 58.280 4.998 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 89 55.592 4.014 -1.422 1.00 0.00 H new ATOM 0 HB VAL A 89 58.197 2.922 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 89 56.749 2.074 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.286 1.414 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.323 2.716 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.753 4.325 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.371 5.065 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.022 5.304 -3.074 1.00 0.00 H new ATOM 94 N CYS A 90 55.583 1.799 -0.265 1.00 0.00 N ATOM 95 CA CYS A 90 55.519 0.599 0.562 1.00 0.00 C ATOM 96 C CYS A 90 56.070 -0.600 -0.203 1.00 0.00 C ATOM 97 O CYS A 90 55.569 -0.951 -1.268 1.00 0.00 O ATOM 98 CB CYS A 90 54.077 0.330 1.000 1.00 0.00 C ATOM 99 SG CYS A 90 53.911 -0.975 2.240 1.00 0.00 S ATOM 0 H CYS A 90 54.700 2.052 -0.708 1.00 0.00 H new ATOM 0 HA CYS A 90 56.129 0.757 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.652 1.251 1.399 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.487 0.061 0.124 1.00 0.00 H new ATOM 104 N GLU A 91 57.119 -1.210 0.332 1.00 0.00 N ATOM 105 CA GLU A 91 57.752 -2.355 -0.315 1.00 0.00 C ATOM 106 C GLU A 91 56.824 -3.568 -0.375 1.00 0.00 C ATOM 107 O GLU A 91 57.017 -4.460 -1.201 1.00 0.00 O ATOM 108 CB GLU A 91 59.038 -2.726 0.426 1.00 0.00 C ATOM 109 CG GLU A 91 60.157 -1.712 0.248 1.00 0.00 C ATOM 110 CD GLU A 91 60.854 -1.837 -1.092 1.00 0.00 C ATOM 111 OE1 GLU A 91 60.298 -1.350 -2.099 1.00 0.00 O ATOM 112 OE2 GLU A 91 61.958 -2.421 -1.135 1.00 0.00 O ATOM 0 H GLU A 91 57.551 -0.932 1.213 1.00 0.00 H new ATOM 0 HA GLU A 91 57.983 -2.065 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.818 -2.829 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.382 -3.699 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.749 -0.706 0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.888 -1.840 1.046 1.00 0.00 H new ATOM 119 N MET A 92 55.834 -3.614 0.510 1.00 0.00 N ATOM 120 CA MET A 92 54.909 -4.743 0.550 1.00 0.00 C ATOM 121 C MET A 92 53.677 -4.518 -0.326 1.00 0.00 C ATOM 122 O MET A 92 53.392 -5.315 -1.220 1.00 0.00 O ATOM 123 CB MET A 92 54.474 -5.014 1.990 1.00 0.00 C ATOM 124 CG MET A 92 54.098 -6.463 2.250 1.00 0.00 C ATOM 125 SD MET A 92 55.525 -7.566 2.217 1.00 0.00 S ATOM 126 CE MET A 92 54.903 -8.956 3.161 1.00 0.00 C ATOM 0 H MET A 92 55.651 -2.890 1.204 1.00 0.00 H new ATOM 0 HA MET A 92 55.441 -5.608 0.153 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.282 -4.731 2.664 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.622 -4.378 2.229 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.607 -6.539 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.375 -6.787 1.501 1.00 0.00 H new ATOM 0 HE1 MET A 92 55.653 -9.267 3.888 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.991 -8.663 3.682 1.00 0.00 H new ATOM 0 HE3 MET A 92 54.686 -9.785 2.488 1.00 0.00 H new ATOM 136 N CYS A 93 52.936 -3.450 -0.053 1.00 0.00 N ATOM 137 CA CYS A 93 51.720 -3.147 -0.804 1.00 0.00 C ATOM 138 C CYS A 93 52.008 -2.286 -2.031 1.00 0.00 C ATOM 139 O CYS A 93 51.296 -2.363 -3.032 1.00 0.00 O ATOM 140 CB CYS A 93 50.712 -2.430 0.099 1.00 0.00 C ATOM 141 SG CYS A 93 50.586 -3.117 1.769 1.00 0.00 S ATOM 0 H CYS A 93 53.155 -2.778 0.683 1.00 0.00 H new ATOM 0 HA CYS A 93 51.304 -4.094 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 93 50.991 -1.379 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.730 -2.468 -0.372 1.00 0.00 H new ATOM 146 N GLY A 94 53.043 -1.462 -1.944 1.00 0.00 N ATOM 147 CA GLY A 94 53.392 -0.591 -3.052 1.00 0.00 C ATOM 148 C GLY A 94 52.858 0.816 -2.867 1.00 0.00 C ATOM 149 O GLY A 94 53.371 1.764 -3.460 1.00 0.00 O ATOM 0 H GLY A 94 53.648 -1.380 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.476 -0.555 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 94 52.997 -1.009 -3.978 1.00 0.00 H new ATOM 153 N ILE A 95 51.825 0.953 -2.038 1.00 0.00 N ATOM 154 CA ILE A 95 51.222 2.256 -1.774 1.00 0.00 C ATOM 155 C ILE A 95 52.267 3.257 -1.296 1.00 0.00 C ATOM 156 O ILE A 95 53.119 2.936 -0.469 1.00 0.00 O ATOM 157 CB ILE A 95 50.098 2.155 -0.722 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.109 1.048 -1.095 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.374 3.487 -0.585 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.540 1.191 -2.491 1.00 0.00 C ATOM 0 H ILE A 95 51.389 0.178 -1.538 1.00 0.00 H new ATOM 0 HA ILE A 95 50.795 2.604 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 95 50.550 1.905 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 95 49.608 0.083 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.290 1.046 -0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.585 3.397 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.082 4.255 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.937 3.764 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 95 47.847 0.373 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.012 2.141 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.351 1.162 -3.219 1.00 0.00 H new ATOM 172 N VAL A 96 52.196 4.470 -1.832 1.00 0.00 N ATOM 173 CA VAL A 96 53.135 5.524 -1.472 1.00 0.00 C ATOM 174 C VAL A 96 52.456 6.588 -0.614 1.00 0.00 C ATOM 175 O VAL A 96 51.313 6.966 -0.872 1.00 0.00 O ATOM 176 CB VAL A 96 53.730 6.188 -2.728 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.936 7.037 -2.365 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.105 5.136 -3.762 1.00 0.00 C ATOM 0 H VAL A 96 51.495 4.748 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 96 53.939 5.061 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 96 52.972 6.840 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.341 7.497 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.635 7.815 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.698 6.408 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.524 5.624 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.844 4.456 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.216 4.573 -4.047 1.00 0.00 H new ATOM 188 N GLY A 97 53.167 7.078 0.399 1.00 0.00 N ATOM 189 CA GLY A 97 52.616 8.104 1.267 1.00 0.00 C ATOM 190 C GLY A 97 53.690 9.006 1.846 1.00 0.00 C ATOM 191 O GLY A 97 54.856 8.622 1.916 1.00 0.00 O ATOM 0 H GLY A 97 54.115 6.782 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.902 8.707 0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 97 52.064 7.631 2.080 1.00 0.00 H new ATOM 195 N THR A 98 53.302 10.201 2.274 1.00 0.00 N ATOM 196 CA THR A 98 54.251 11.143 2.859 1.00 0.00 C ATOM 197 C THR A 98 54.737 10.636 4.215 1.00 0.00 C ATOM 198 O THR A 98 53.977 10.021 4.960 1.00 0.00 O ATOM 199 CB THR A 98 53.606 12.521 3.016 1.00 0.00 C ATOM 200 OG1 THR A 98 52.397 12.427 3.749 1.00 0.00 O ATOM 201 CG2 THR A 98 53.292 13.188 1.694 1.00 0.00 C ATOM 0 H THR A 98 52.341 10.541 2.228 1.00 0.00 H new ATOM 0 HA THR A 98 55.107 11.230 2.189 1.00 0.00 H new ATOM 0 HB THR A 98 54.342 13.127 3.544 1.00 0.00 H new ATOM 0 HG1 THR A 98 52.000 13.318 3.841 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.837 14.161 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 98 54.212 13.319 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 98 52.601 12.565 1.127 1.00 0.00 H new ATOM 209 N ARG A 99 56.011 10.879 4.521 1.00 0.00 N ATOM 210 CA ARG A 99 56.604 10.431 5.783 1.00 0.00 C ATOM 211 C ARG A 99 55.692 10.707 6.981 1.00 0.00 C ATOM 212 O ARG A 99 55.563 9.868 7.872 1.00 0.00 O ATOM 213 CB ARG A 99 57.961 11.109 5.994 1.00 0.00 C ATOM 214 CG ARG A 99 59.142 10.155 5.884 1.00 0.00 C ATOM 215 CD ARG A 99 60.078 10.549 4.751 1.00 0.00 C ATOM 216 NE ARG A 99 61.141 9.566 4.549 1.00 0.00 N ATOM 217 CZ ARG A 99 62.251 9.807 3.855 1.00 0.00 C ATOM 218 NH1 ARG A 99 62.440 10.991 3.284 1.00 0.00 N ATOM 219 NH2 ARG A 99 63.175 8.864 3.730 1.00 0.00 N ATOM 0 H ARG A 99 56.654 11.384 3.912 1.00 0.00 H new ATOM 0 HA ARG A 99 56.737 9.351 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 99 58.078 11.905 5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 99 57.974 11.579 6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 99 59.692 10.147 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.777 9.141 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.506 10.658 3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 99 60.520 11.521 4.968 1.00 0.00 H new ATOM 0 HE ARG A 99 61.025 8.641 4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 99 61.733 11.720 3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 99 63.292 11.171 2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 99 63.036 7.952 4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 99 64.025 9.050 3.198 1.00 0.00 H new ATOM 233 N GLU A 100 55.070 11.883 7.007 1.00 0.00 N ATOM 234 CA GLU A 100 54.183 12.254 8.111 1.00 0.00 C ATOM 235 C GLU A 100 52.868 11.470 8.074 1.00 0.00 C ATOM 236 O GLU A 100 52.040 11.595 8.976 1.00 0.00 O ATOM 237 CB GLU A 100 53.892 13.756 8.070 1.00 0.00 C ATOM 238 CG GLU A 100 55.003 14.609 8.661 1.00 0.00 C ATOM 239 CD GLU A 100 54.897 14.741 10.168 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.982 13.706 10.862 1.00 0.00 O ATOM 241 OE2 GLU A 100 54.731 15.879 10.654 1.00 0.00 O ATOM 0 H GLU A 100 55.162 12.594 6.281 1.00 0.00 H new ATOM 0 HA GLU A 100 54.694 12.005 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.726 14.057 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.967 13.953 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.968 14.171 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 100 54.974 15.601 8.210 1.00 0.00 H new ATOM 248 N ALA A 101 52.682 10.662 7.035 1.00 0.00 N ATOM 249 CA ALA A 101 51.471 9.862 6.895 1.00 0.00 C ATOM 250 C ALA A 101 51.774 8.373 7.050 1.00 0.00 C ATOM 251 O ALA A 101 50.912 7.595 7.455 1.00 0.00 O ATOM 252 CB ALA A 101 50.810 10.135 5.551 1.00 0.00 C ATOM 0 H ALA A 101 53.355 10.544 6.278 1.00 0.00 H new ATOM 0 HA ALA A 101 50.782 10.148 7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.907 9.531 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.549 11.191 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.500 9.879 4.747 1.00 0.00 H new ATOM 258 N PHE A 102 53.004 7.985 6.721 1.00 0.00 N ATOM 259 CA PHE A 102 53.421 6.589 6.819 1.00 0.00 C ATOM 260 C PHE A 102 53.968 6.271 8.208 1.00 0.00 C ATOM 261 O PHE A 102 54.375 7.166 8.949 1.00 0.00 O ATOM 262 CB PHE A 102 54.482 6.277 5.761 1.00 0.00 C ATOM 263 CG PHE A 102 53.950 5.503 4.590 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.471 4.260 4.270 1.00 0.00 C ATOM 265 CD2 PHE A 102 52.926 6.017 3.811 1.00 0.00 C ATOM 266 CE1 PHE A 102 53.980 3.543 3.195 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.432 5.305 2.735 1.00 0.00 C ATOM 268 CZ PHE A 102 52.960 4.068 2.427 1.00 0.00 C ATOM 0 H PHE A 102 53.729 8.618 6.384 1.00 0.00 H new ATOM 0 HA PHE A 102 52.544 5.966 6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.913 7.212 5.403 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.290 5.711 6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.270 3.846 4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.509 6.985 4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.393 2.574 2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 102 51.633 5.716 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.576 3.511 1.586 1.00 0.00 H new ATOM 278 N PHE A 103 53.968 4.985 8.553 1.00 0.00 N ATOM 279 CA PHE A 103 54.458 4.527 9.852 1.00 0.00 C ATOM 280 C PHE A 103 55.779 5.205 10.215 1.00 0.00 C ATOM 281 O PHE A 103 56.777 5.064 9.509 1.00 0.00 O ATOM 282 CB PHE A 103 54.634 3.006 9.838 1.00 0.00 C ATOM 283 CG PHE A 103 54.545 2.371 11.198 1.00 0.00 C ATOM 284 CD1 PHE A 103 55.429 1.369 11.565 1.00 0.00 C ATOM 285 CD2 PHE A 103 53.577 2.772 12.107 1.00 0.00 C ATOM 286 CE1 PHE A 103 55.350 0.779 12.812 1.00 0.00 C ATOM 287 CE2 PHE A 103 53.495 2.185 13.356 1.00 0.00 C ATOM 288 CZ PHE A 103 54.383 1.188 13.708 1.00 0.00 C ATOM 0 H PHE A 103 53.632 4.237 7.947 1.00 0.00 H new ATOM 0 HA PHE A 103 53.721 4.798 10.608 1.00 0.00 H new ATOM 0 HB2 PHE A 103 53.873 2.568 9.192 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.602 2.766 9.398 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.188 1.046 10.868 1.00 0.00 H new ATOM 0 HD2 PHE A 103 52.880 3.551 11.836 1.00 0.00 H new ATOM 0 HE1 PHE A 103 56.044 -0.002 13.085 1.00 0.00 H new ATOM 0 HE2 PHE A 103 52.737 2.506 14.056 1.00 0.00 H new ATOM 0 HZ PHE A 103 54.321 0.729 14.683 1.00 0.00 H new ATOM 298 N SER A 104 55.768 5.948 11.318 1.00 0.00 N ATOM 299 CA SER A 104 56.954 6.662 11.780 1.00 0.00 C ATOM 300 C SER A 104 58.062 5.698 12.196 1.00 0.00 C ATOM 301 O SER A 104 59.243 6.039 12.142 1.00 0.00 O ATOM 302 CB SER A 104 56.595 7.574 12.954 1.00 0.00 C ATOM 303 OG SER A 104 57.759 8.119 13.552 1.00 0.00 O ATOM 0 H SER A 104 54.947 6.071 11.911 1.00 0.00 H new ATOM 0 HA SER A 104 57.323 7.264 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 104 55.949 8.381 12.607 1.00 0.00 H new ATOM 0 HB3 SER A 104 56.031 7.010 13.697 1.00 0.00 H new ATOM 0 HG SER A 104 57.502 8.699 14.299 1.00 0.00 H new ATOM 309 N LYS A 105 57.677 4.497 12.615 1.00 0.00 N ATOM 310 CA LYS A 105 58.645 3.492 13.045 1.00 0.00 C ATOM 311 C LYS A 105 59.726 3.277 11.989 1.00 0.00 C ATOM 312 O LYS A 105 60.918 3.284 12.298 1.00 0.00 O ATOM 313 CB LYS A 105 57.939 2.168 13.342 1.00 0.00 C ATOM 314 CG LYS A 105 58.731 1.251 14.260 1.00 0.00 C ATOM 315 CD LYS A 105 58.608 1.678 15.714 1.00 0.00 C ATOM 316 CE LYS A 105 59.652 1.000 16.587 1.00 0.00 C ATOM 317 NZ LYS A 105 61.008 1.584 16.390 1.00 0.00 N ATOM 0 H LYS A 105 56.704 4.195 12.666 1.00 0.00 H new ATOM 0 HA LYS A 105 59.123 3.857 13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 105 56.970 2.376 13.797 1.00 0.00 H new ATOM 0 HB3 LYS A 105 57.746 1.650 12.403 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.375 0.227 14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.780 1.257 13.965 1.00 0.00 H new ATOM 0 HD2 LYS A 105 58.719 2.760 15.787 1.00 0.00 H new ATOM 0 HD3 LYS A 105 57.611 1.435 16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 105 59.365 1.094 17.634 1.00 0.00 H new ATOM 0 HE3 LYS A 105 59.679 -0.065 16.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 61.654 1.216 17.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 61.364 1.325 15.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 60.954 2.620 16.467 1.00 0.00 H new ATOM 331 N THR A 106 59.304 3.083 10.743 1.00 0.00 N ATOM 332 CA THR A 106 60.241 2.862 9.645 1.00 0.00 C ATOM 333 C THR A 106 59.967 3.812 8.481 1.00 0.00 C ATOM 334 O THR A 106 60.897 4.357 7.888 1.00 0.00 O ATOM 335 CB THR A 106 60.160 1.412 9.163 1.00 0.00 C ATOM 336 OG1 THR A 106 58.812 0.989 9.073 1.00 0.00 O ATOM 337 CG2 THR A 106 60.887 0.435 10.063 1.00 0.00 C ATOM 0 H THR A 106 58.322 3.074 10.468 1.00 0.00 H new ATOM 0 HA THR A 106 61.245 3.062 10.019 1.00 0.00 H new ATOM 0 HB THR A 106 60.644 1.408 8.186 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.775 0.010 9.078 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.788 -0.573 9.661 1.00 0.00 H new ATOM 0 HG22 THR A 106 61.942 0.703 10.114 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.455 0.471 11.063 1.00 0.00 H new ATOM 345 N LYS A 107 58.683 3.991 8.154 1.00 0.00 N ATOM 346 CA LYS A 107 58.258 4.863 7.051 1.00 0.00 C ATOM 347 C LYS A 107 58.295 4.128 5.711 1.00 0.00 C ATOM 348 O LYS A 107 57.630 4.532 4.757 1.00 0.00 O ATOM 349 CB LYS A 107 59.116 6.132 6.971 1.00 0.00 C ATOM 350 CG LYS A 107 59.166 6.919 8.270 1.00 0.00 C ATOM 351 CD LYS A 107 57.920 7.773 8.449 1.00 0.00 C ATOM 352 CE LYS A 107 58.224 9.069 9.188 1.00 0.00 C ATOM 353 NZ LYS A 107 58.979 8.833 10.452 1.00 0.00 N ATOM 0 H LYS A 107 57.911 3.538 8.643 1.00 0.00 H new ATOM 0 HA LYS A 107 57.229 5.154 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.131 5.856 6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 107 58.726 6.775 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.262 6.231 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 107 60.050 7.556 8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.494 8.003 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.168 7.208 9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.801 9.728 8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.290 9.583 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 58.420 9.175 11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.161 7.815 10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 59.884 9.344 10.417 1.00 0.00 H new ATOM 367 N ARG A 108 59.066 3.046 5.642 1.00 0.00 N ATOM 368 CA ARG A 108 59.172 2.264 4.417 1.00 0.00 C ATOM 369 C ARG A 108 57.918 1.418 4.209 1.00 0.00 C ATOM 370 O ARG A 108 57.576 1.063 3.082 1.00 0.00 O ATOM 371 CB ARG A 108 60.410 1.367 4.464 1.00 0.00 C ATOM 372 CG ARG A 108 61.719 2.136 4.365 1.00 0.00 C ATOM 373 CD ARG A 108 62.717 1.676 5.415 1.00 0.00 C ATOM 374 NE ARG A 108 63.052 0.261 5.267 1.00 0.00 N ATOM 375 CZ ARG A 108 63.909 -0.383 6.055 1.00 0.00 C ATOM 376 NH1 ARG A 108 64.517 0.254 7.048 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.159 -1.669 5.851 1.00 0.00 N ATOM 0 H ARG A 108 59.625 2.693 6.419 1.00 0.00 H new ATOM 0 HA ARG A 108 59.269 2.953 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.401 0.797 5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.358 0.646 3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.147 2.001 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.526 3.202 4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.625 2.274 5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 108 62.304 1.849 6.409 1.00 0.00 H new ATOM 0 HE ARG A 108 62.603 -0.263 4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 108 64.328 1.243 7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.173 -0.246 7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.694 -2.164 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 108 64.816 -2.163 6.455 1.00 0.00 H new ATOM 391 N PHE A 109 57.230 1.111 5.307 1.00 0.00 N ATOM 392 CA PHE A 109 56.006 0.320 5.251 1.00 0.00 C ATOM 393 C PHE A 109 54.840 1.113 5.833 1.00 0.00 C ATOM 394 O PHE A 109 54.963 1.726 6.893 1.00 0.00 O ATOM 395 CB PHE A 109 56.180 -0.994 6.014 1.00 0.00 C ATOM 396 CG PHE A 109 57.420 -1.752 5.631 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.472 -2.479 4.451 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.534 -1.738 6.455 1.00 0.00 C ATOM 399 CE1 PHE A 109 58.613 -3.177 4.102 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.677 -2.434 6.111 1.00 0.00 C ATOM 401 CZ PHE A 109 59.717 -3.154 4.933 1.00 0.00 C ATOM 0 H PHE A 109 57.501 1.399 6.247 1.00 0.00 H new ATOM 0 HA PHE A 109 55.792 0.089 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.209 -0.783 7.083 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.309 -1.625 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 109 56.612 -2.500 3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.509 -1.176 7.377 1.00 0.00 H new ATOM 0 HE1 PHE A 109 58.642 -3.740 3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.538 -2.415 6.763 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.610 -3.698 4.662 1.00 0.00 H new ATOM 411 N CYS A 110 53.716 1.113 5.124 1.00 0.00 N ATOM 412 CA CYS A 110 52.529 1.846 5.550 1.00 0.00 C ATOM 413 C CYS A 110 51.963 1.333 6.874 1.00 0.00 C ATOM 414 O CYS A 110 51.106 1.982 7.475 1.00 0.00 O ATOM 415 CB CYS A 110 51.457 1.753 4.463 1.00 0.00 C ATOM 416 SG CYS A 110 50.906 0.066 4.112 1.00 0.00 S ATOM 0 H CYS A 110 53.602 0.609 4.245 1.00 0.00 H new ATOM 0 HA CYS A 110 52.826 2.883 5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.596 2.350 4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.846 2.195 3.546 1.00 0.00 H new ATOM 421 N SER A 111 52.422 0.171 7.328 1.00 0.00 N ATOM 422 CA SER A 111 51.921 -0.392 8.577 1.00 0.00 C ATOM 423 C SER A 111 52.962 -1.268 9.263 1.00 0.00 C ATOM 424 O SER A 111 53.834 -1.843 8.613 1.00 0.00 O ATOM 425 CB SER A 111 50.659 -1.216 8.311 1.00 0.00 C ATOM 426 OG SER A 111 50.985 -2.555 7.973 1.00 0.00 O ATOM 0 H SER A 111 53.130 -0.393 6.858 1.00 0.00 H new ATOM 0 HA SER A 111 51.690 0.441 9.241 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.021 -1.206 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.088 -0.762 7.501 1.00 0.00 H new ATOM 0 HG SER A 111 51.352 -2.583 7.065 1.00 0.00 H new ATOM 432 N VAL A 112 52.848 -1.379 10.584 1.00 0.00 N ATOM 433 CA VAL A 112 53.762 -2.202 11.361 1.00 0.00 C ATOM 434 C VAL A 112 53.669 -3.654 10.910 1.00 0.00 C ATOM 435 O VAL A 112 54.669 -4.372 10.875 1.00 0.00 O ATOM 436 CB VAL A 112 53.461 -2.112 12.870 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.053 -2.604 13.169 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.490 -2.897 13.671 1.00 0.00 C ATOM 0 H VAL A 112 52.131 -0.908 11.136 1.00 0.00 H new ATOM 0 HA VAL A 112 54.771 -1.827 11.191 1.00 0.00 H new ATOM 0 HB VAL A 112 53.524 -1.066 13.169 1.00 0.00 H new ATOM 0 HG11 VAL A 112 51.862 -2.532 14.240 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.331 -1.991 12.629 1.00 0.00 H new ATOM 0 HG13 VAL A 112 51.956 -3.642 12.852 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.259 -2.821 14.734 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.465 -3.944 13.369 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.484 -2.489 13.485 1.00 0.00 H new ATOM 448 N SER A 113 52.458 -4.073 10.547 1.00 0.00 N ATOM 449 CA SER A 113 52.232 -5.432 10.076 1.00 0.00 C ATOM 450 C SER A 113 53.077 -5.695 8.838 1.00 0.00 C ATOM 451 O SER A 113 53.665 -6.765 8.688 1.00 0.00 O ATOM 452 CB SER A 113 50.752 -5.653 9.758 1.00 0.00 C ATOM 453 OG SER A 113 50.438 -7.035 9.720 1.00 0.00 O ATOM 0 H SER A 113 51.622 -3.490 10.571 1.00 0.00 H new ATOM 0 HA SER A 113 52.522 -6.127 10.864 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.138 -5.158 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.511 -5.196 8.798 1.00 0.00 H new ATOM 0 HG SER A 113 49.486 -7.149 9.516 1.00 0.00 H new ATOM 459 N CYS A 114 53.146 -4.699 7.959 1.00 0.00 N ATOM 460 CA CYS A 114 53.937 -4.812 6.742 1.00 0.00 C ATOM 461 C CYS A 114 55.407 -5.037 7.087 1.00 0.00 C ATOM 462 O CYS A 114 56.152 -5.642 6.316 1.00 0.00 O ATOM 463 CB CYS A 114 53.792 -3.548 5.891 1.00 0.00 C ATOM 464 SG CYS A 114 52.335 -3.536 4.819 1.00 0.00 S ATOM 0 H CYS A 114 52.664 -3.807 8.068 1.00 0.00 H new ATOM 0 HA CYS A 114 53.570 -5.665 6.171 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.750 -2.682 6.552 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.684 -3.435 5.274 1.00 0.00 H new ATOM 469 N SER A 115 55.813 -4.543 8.255 1.00 0.00 N ATOM 470 CA SER A 115 57.189 -4.686 8.714 1.00 0.00 C ATOM 471 C SER A 115 57.459 -6.110 9.186 1.00 0.00 C ATOM 472 O SER A 115 58.392 -6.766 8.716 1.00 0.00 O ATOM 473 CB SER A 115 57.476 -3.700 9.848 1.00 0.00 C ATOM 474 OG SER A 115 58.861 -3.414 9.937 1.00 0.00 O ATOM 0 H SER A 115 55.205 -4.039 8.901 1.00 0.00 H new ATOM 0 HA SER A 115 57.849 -4.468 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 115 56.921 -2.777 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.126 -4.116 10.793 1.00 0.00 H new ATOM 0 HG SER A 115 59.018 -2.780 10.668 1.00 0.00 H new ATOM 480 N ARG A 116 56.628 -6.594 10.105 1.00 0.00 N ATOM 481 CA ARG A 116 56.779 -7.949 10.620 1.00 0.00 C ATOM 482 C ARG A 116 56.403 -8.973 9.554 1.00 0.00 C ATOM 483 O ARG A 116 56.769 -10.145 9.648 1.00 0.00 O ATOM 484 CB ARG A 116 55.924 -8.154 11.873 1.00 0.00 C ATOM 485 CG ARG A 116 54.466 -7.756 11.700 1.00 0.00 C ATOM 486 CD ARG A 116 53.945 -7.023 12.925 1.00 0.00 C ATOM 487 NE ARG A 116 53.907 -7.888 14.103 1.00 0.00 N ATOM 488 CZ ARG A 116 54.148 -7.471 15.345 1.00 0.00 C ATOM 489 NH1 ARG A 116 54.439 -6.198 15.587 1.00 0.00 N ATOM 490 NH2 ARG A 116 54.096 -8.332 16.352 1.00 0.00 N ATOM 0 H ARG A 116 55.849 -6.071 10.505 1.00 0.00 H new ATOM 0 HA ARG A 116 57.825 -8.092 10.889 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.971 -9.203 12.165 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.353 -7.576 12.691 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.362 -7.120 10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 116 53.862 -8.646 11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 116 54.579 -6.160 13.129 1.00 0.00 H new ATOM 0 HD3 ARG A 116 52.944 -6.642 12.722 1.00 0.00 H new ATOM 0 HE ARG A 116 53.682 -8.873 13.965 1.00 0.00 H new ATOM 0 HH11 ARG A 116 54.480 -5.529 14.818 1.00 0.00 H new ATOM 0 HH12 ARG A 116 54.622 -5.889 16.542 1.00 0.00 H new ATOM 0 HH21 ARG A 116 53.872 -9.311 16.175 1.00 0.00 H new ATOM 0 HH22 ARG A 116 54.280 -8.015 17.304 1.00 0.00 H new ATOM 504 N SER A 117 55.685 -8.518 8.530 1.00 0.00 N ATOM 505 CA SER A 117 55.277 -9.387 7.437 1.00 0.00 C ATOM 506 C SER A 117 56.420 -9.535 6.444 1.00 0.00 C ATOM 507 O SER A 117 56.780 -10.645 6.055 1.00 0.00 O ATOM 508 CB SER A 117 54.038 -8.823 6.739 1.00 0.00 C ATOM 509 OG SER A 117 52.862 -9.110 7.475 1.00 0.00 O ATOM 0 H SER A 117 55.375 -7.551 8.437 1.00 0.00 H new ATOM 0 HA SER A 117 55.026 -10.368 7.841 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.143 -7.744 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 117 53.956 -9.247 5.738 1.00 0.00 H new ATOM 0 HG SER A 117 52.720 -8.414 8.150 1.00 0.00 H new ATOM 515 N TYR A 118 56.996 -8.403 6.046 1.00 0.00 N ATOM 516 CA TYR A 118 58.111 -8.393 5.110 1.00 0.00 C ATOM 517 C TYR A 118 59.354 -9.008 5.743 1.00 0.00 C ATOM 518 O TYR A 118 60.225 -9.531 5.051 1.00 0.00 O ATOM 519 CB TYR A 118 58.409 -6.953 4.685 1.00 0.00 C ATOM 520 CG TYR A 118 59.003 -6.833 3.302 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.191 -7.475 2.979 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.373 -6.083 2.319 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.735 -7.373 1.713 1.00 0.00 C ATOM 524 CE2 TYR A 118 58.909 -5.974 1.052 1.00 0.00 C ATOM 525 CZ TYR A 118 60.090 -6.620 0.752 1.00 0.00 C ATOM 526 OH TYR A 118 60.627 -6.516 -0.510 1.00 0.00 O ATOM 0 H TYR A 118 56.705 -7.477 6.361 1.00 0.00 H new ATOM 0 HA TYR A 118 57.838 -8.986 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.486 -6.375 4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.096 -6.507 5.405 1.00 0.00 H new ATOM 0 HD1 TYR A 118 60.698 -8.064 3.729 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.448 -5.576 2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 118 61.659 -7.879 1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.406 -5.386 0.299 1.00 0.00 H new ATOM 0 HH TYR A 118 60.297 -7.251 -1.068 1.00 0.00 H new ATOM 536 N SER A 119 59.421 -8.959 7.067 1.00 0.00 N ATOM 537 CA SER A 119 60.551 -9.526 7.787 1.00 0.00 C ATOM 538 C SER A 119 60.346 -11.019 7.997 1.00 0.00 C ATOM 539 O SER A 119 61.216 -11.830 7.681 1.00 0.00 O ATOM 540 CB SER A 119 60.738 -8.812 9.123 1.00 0.00 C ATOM 541 OG SER A 119 61.509 -9.593 10.020 1.00 0.00 O ATOM 0 H SER A 119 58.709 -8.534 7.661 1.00 0.00 H new ATOM 0 HA SER A 119 61.454 -9.384 7.193 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.228 -7.852 8.959 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.764 -8.602 9.565 1.00 0.00 H new ATOM 0 HG SER A 119 61.614 -9.111 10.867 1.00 0.00 H new ATOM 547 N SER A 120 59.181 -11.372 8.521 1.00 0.00 N ATOM 548 CA SER A 120 58.845 -12.769 8.761 1.00 0.00 C ATOM 549 C SER A 120 58.845 -13.544 7.446 1.00 0.00 C ATOM 550 O SER A 120 59.487 -14.587 7.327 1.00 0.00 O ATOM 551 CB SER A 120 57.478 -12.882 9.437 1.00 0.00 C ATOM 552 OG SER A 120 57.248 -14.199 9.906 1.00 0.00 O ATOM 0 H SER A 120 58.452 -10.710 8.788 1.00 0.00 H new ATOM 0 HA SER A 120 59.597 -13.197 9.424 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.422 -12.181 10.270 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.696 -12.602 8.731 1.00 0.00 H new ATOM 0 HG SER A 120 56.368 -14.244 10.336 1.00 0.00 H new ATOM 558 N ASN A 121 58.122 -13.019 6.461 1.00 0.00 N ATOM 559 CA ASN A 121 58.038 -13.650 5.149 1.00 0.00 C ATOM 560 C ASN A 121 59.160 -13.156 4.241 1.00 0.00 C ATOM 561 O ASN A 121 60.085 -13.901 3.916 1.00 0.00 O ATOM 562 CB ASN A 121 56.682 -13.355 4.506 1.00 0.00 C ATOM 563 CG ASN A 121 55.549 -14.118 5.164 1.00 0.00 C ATOM 564 OD1 ASN A 121 55.439 -15.336 5.019 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.700 -13.403 5.892 1.00 0.00 N ATOM 0 H ASN A 121 57.585 -12.156 6.548 1.00 0.00 H new ATOM 0 HA ASN A 121 58.144 -14.727 5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 121 56.479 -12.286 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 121 56.722 -13.612 3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 121 53.917 -13.861 6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.830 -12.396 5.984 1.00 0.00 H new ATOM 572 N SER A 122 59.070 -11.892 3.836 1.00 0.00 N ATOM 573 CA SER A 122 60.074 -11.286 2.965 1.00 0.00 C ATOM 574 C SER A 122 60.041 -11.899 1.567 1.00 0.00 C ATOM 575 O SER A 122 61.002 -11.779 0.806 1.00 0.00 O ATOM 576 CB SER A 122 61.472 -11.448 3.567 1.00 0.00 C ATOM 577 OG SER A 122 62.266 -10.299 3.329 1.00 0.00 O ATOM 0 H SER A 122 58.309 -11.265 4.098 1.00 0.00 H new ATOM 0 HA SER A 122 59.839 -10.225 2.880 1.00 0.00 H new ATOM 0 HB2 SER A 122 61.391 -11.622 4.640 1.00 0.00 H new ATOM 0 HB3 SER A 122 61.957 -12.324 3.137 1.00 0.00 H new ATOM 0 HG SER A 122 61.966 -9.568 3.908 1.00 0.00 H new ATOM 583 N LYS A 123 58.937 -12.560 1.233 1.00 0.00 N ATOM 584 CA LYS A 123 58.797 -13.190 -0.074 1.00 0.00 C ATOM 585 C LYS A 123 58.228 -12.221 -1.110 1.00 0.00 C ATOM 586 O LYS A 123 57.972 -12.605 -2.251 1.00 0.00 O ATOM 587 CB LYS A 123 57.902 -14.426 0.027 1.00 0.00 C ATOM 588 CG LYS A 123 56.474 -14.110 0.443 1.00 0.00 C ATOM 589 CD LYS A 123 55.513 -15.211 0.023 1.00 0.00 C ATOM 590 CE LYS A 123 54.589 -14.754 -1.095 1.00 0.00 C ATOM 591 NZ LYS A 123 53.222 -14.443 -0.594 1.00 0.00 N ATOM 0 H LYS A 123 58.130 -12.673 1.847 1.00 0.00 H new ATOM 0 HA LYS A 123 59.792 -13.488 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 123 57.887 -14.933 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 123 58.336 -15.121 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 123 56.430 -13.980 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 123 56.164 -13.166 -0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 123 56.079 -16.082 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 123 54.919 -15.523 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 123 55.009 -13.870 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 123 54.528 -15.532 -1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 52.623 -14.135 -1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 52.810 -15.293 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 53.276 -13.683 0.114 1.00 0.00 H new ATOM 605 N LYS A 124 58.032 -10.966 -0.714 1.00 0.00 N ATOM 606 CA LYS A 124 57.495 -9.959 -1.622 1.00 0.00 C ATOM 607 C LYS A 124 58.253 -8.642 -1.484 1.00 0.00 C ATOM 608 O LYS A 124 57.829 -7.799 -0.665 1.00 0.00 O ATOM 609 CB LYS A 124 56.005 -9.740 -1.351 1.00 0.00 C ATOM 610 CG LYS A 124 55.172 -9.607 -2.615 1.00 0.00 C ATOM 611 CD LYS A 124 54.898 -10.962 -3.245 1.00 0.00 C ATOM 612 CE LYS A 124 53.616 -10.950 -4.062 1.00 0.00 C ATOM 613 NZ LYS A 124 52.760 -12.132 -3.767 1.00 0.00 N ATOM 614 OXT LYS A 124 59.264 -8.464 -2.196 1.00 0.00 O ATOM 0 H LYS A 124 58.236 -10.624 0.225 1.00 0.00 H new ATOM 0 HA LYS A 124 57.620 -10.321 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 124 55.625 -10.574 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 124 55.882 -8.840 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 124 54.228 -9.116 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 124 55.693 -8.970 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 124 55.735 -11.243 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 124 54.826 -11.719 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 124 53.059 -10.037 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 124 53.862 -10.936 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 51.896 -12.087 -4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 53.282 -13.003 -3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 52.504 -12.132 -2.759 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 51.948 -1.846 3.201 1.00 0.00 ZN