USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=17 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 30:sc= -0.917 USER MOD Set 1.2: A 123 LYS NZ :NH3+ 150:sc= 0.1 (180deg=0) USER MOD Set 2.1: A 117 SER OG : rot 18:sc= 0.902 USER MOD Set 2.2: A 121 ASN :FLIP amide:sc= 0.777 F(o=-1.4,f=1.7) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 107 LYS NZ :NH3+ -167:sc= -0.696 (180deg=-0.897) USER MOD Single : A 111 SER OG : rot 180:sc= 0.261 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 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 96:sc= 0.0554 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 155:sc= -0.109 (180deg=-0.533) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 60.188 23.992 1.681 1.00 0.00 N ATOM 2 CA GLY A 82 60.161 23.162 2.916 1.00 0.00 C ATOM 3 C GLY A 82 60.204 21.677 2.615 1.00 0.00 C ATOM 4 O GLY A 82 59.842 21.249 1.519 1.00 0.00 O ATOM 0 HA2 GLY A 82 61.009 23.427 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 82 59.258 23.389 3.483 1.00 0.00 H new ATOM 10 N SER A 83 60.653 20.889 3.586 1.00 0.00 N ATOM 11 CA SER A 83 60.747 19.444 3.412 1.00 0.00 C ATOM 12 C SER A 83 59.916 18.707 4.458 1.00 0.00 C ATOM 13 O SER A 83 60.059 18.937 5.659 1.00 0.00 O ATOM 14 CB SER A 83 62.206 18.994 3.495 1.00 0.00 C ATOM 15 OG SER A 83 62.976 19.897 4.269 1.00 0.00 O ATOM 0 H SER A 83 60.957 21.225 4.500 1.00 0.00 H new ATOM 0 HA SER A 83 60.351 19.199 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 83 62.258 17.998 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 83 62.625 18.922 2.491 1.00 0.00 H new ATOM 0 HG SER A 83 63.904 19.585 4.308 1.00 0.00 H new ATOM 21 N GLY A 84 59.051 17.814 3.988 1.00 0.00 N ATOM 22 CA GLY A 84 58.211 17.046 4.894 1.00 0.00 C ATOM 23 C GLY A 84 56.982 16.438 4.229 1.00 0.00 C ATOM 24 O GLY A 84 56.019 16.088 4.911 1.00 0.00 O ATOM 0 H GLY A 84 58.915 17.607 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 84 58.806 16.247 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 84 57.888 17.692 5.710 1.00 0.00 H new ATOM 28 N SER A 85 57.005 16.307 2.903 1.00 0.00 N ATOM 29 CA SER A 85 55.877 15.735 2.174 1.00 0.00 C ATOM 30 C SER A 85 56.337 14.646 1.197 1.00 0.00 C ATOM 31 O SER A 85 55.515 13.979 0.569 1.00 0.00 O ATOM 32 CB SER A 85 55.135 16.835 1.412 1.00 0.00 C ATOM 33 OG SER A 85 56.001 17.912 1.098 1.00 0.00 O ATOM 0 H SER A 85 57.790 16.588 2.315 1.00 0.00 H new ATOM 0 HA SER A 85 55.205 15.277 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 85 54.713 16.425 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 85 54.301 17.198 2.012 1.00 0.00 H new ATOM 0 HG SER A 85 55.503 18.601 0.610 1.00 0.00 H new ATOM 39 N GLU A 86 57.653 14.491 1.058 1.00 0.00 N ATOM 40 CA GLU A 86 58.224 13.508 0.138 1.00 0.00 C ATOM 41 C GLU A 86 57.537 12.145 0.274 1.00 0.00 C ATOM 42 O GLU A 86 57.593 11.513 1.329 1.00 0.00 O ATOM 43 CB GLU A 86 59.727 13.360 0.391 1.00 0.00 C ATOM 44 CG GLU A 86 60.096 13.311 1.865 1.00 0.00 C ATOM 45 CD GLU A 86 61.255 12.375 2.146 1.00 0.00 C ATOM 46 OE1 GLU A 86 62.224 12.810 2.803 1.00 0.00 O ATOM 47 OE2 GLU A 86 61.193 11.205 1.711 1.00 0.00 O ATOM 0 H GLU A 86 58.346 15.035 1.572 1.00 0.00 H new ATOM 0 HA GLU A 86 58.060 13.869 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.080 12.450 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.249 14.194 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.354 14.314 2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 86 59.228 12.992 2.442 1.00 0.00 H new ATOM 54 N PRO A 87 56.872 11.677 -0.805 1.00 0.00 N ATOM 55 CA PRO A 87 56.166 10.386 -0.812 1.00 0.00 C ATOM 56 C PRO A 87 57.072 9.216 -0.448 1.00 0.00 C ATOM 57 O PRO A 87 58.255 9.201 -0.788 1.00 0.00 O ATOM 58 CB PRO A 87 55.684 10.246 -2.259 1.00 0.00 C ATOM 59 CG PRO A 87 55.633 11.638 -2.782 1.00 0.00 C ATOM 60 CD PRO A 87 56.755 12.369 -2.103 1.00 0.00 C ATOM 0 HA PRO A 87 55.365 10.367 -0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 87 56.365 9.629 -2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 87 54.704 9.771 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 87 55.754 11.654 -3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 87 54.672 12.104 -2.562 1.00 0.00 H new ATOM 0 HD2 PRO A 87 57.680 12.309 -2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 87 56.527 13.427 -1.976 1.00 0.00 H new ATOM 68 N ALA A 88 56.499 8.231 0.232 1.00 0.00 N ATOM 69 CA ALA A 88 57.236 7.042 0.635 1.00 0.00 C ATOM 70 C ALA A 88 56.607 5.797 0.023 1.00 0.00 C ATOM 71 O ALA A 88 55.407 5.564 0.166 1.00 0.00 O ATOM 72 CB ALA A 88 57.274 6.930 2.152 1.00 0.00 C ATOM 0 H ALA A 88 55.520 8.234 0.517 1.00 0.00 H new ATOM 0 HA ALA A 88 58.260 7.127 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.829 6.036 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.764 7.810 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.257 6.864 2.538 1.00 0.00 H new ATOM 78 N VAL A 89 57.416 5.002 -0.666 1.00 0.00 N ATOM 79 CA VAL A 89 56.921 3.789 -1.302 1.00 0.00 C ATOM 80 C VAL A 89 56.966 2.605 -0.346 1.00 0.00 C ATOM 81 O VAL A 89 58.009 2.293 0.227 1.00 0.00 O ATOM 82 CB VAL A 89 57.733 3.442 -2.564 1.00 0.00 C ATOM 83 CG1 VAL A 89 57.077 2.299 -3.322 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.881 4.665 -3.457 1.00 0.00 C ATOM 0 H VAL A 89 58.413 5.174 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 89 55.887 3.985 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 89 58.728 3.122 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.664 2.067 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 89 57.026 1.419 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 89 56.069 2.590 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 89 58.457 4.401 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.894 5.018 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.397 5.454 -2.911 1.00 0.00 H new ATOM 94 N CYS A 90 55.826 1.942 -0.186 1.00 0.00 N ATOM 95 CA CYS A 90 55.740 0.782 0.696 1.00 0.00 C ATOM 96 C CYS A 90 56.354 -0.442 0.021 1.00 0.00 C ATOM 97 O CYS A 90 55.883 -0.894 -1.021 1.00 0.00 O ATOM 98 CB CYS A 90 54.288 0.508 1.086 1.00 0.00 C ATOM 99 SG CYS A 90 54.091 -0.836 2.276 1.00 0.00 S ATOM 0 H CYS A 90 54.952 2.186 -0.653 1.00 0.00 H new ATOM 0 HA CYS A 90 56.302 0.996 1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.857 1.417 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.719 0.270 0.187 1.00 0.00 H new ATOM 104 N GLU A 91 57.427 -0.951 0.615 1.00 0.00 N ATOM 105 CA GLU A 91 58.151 -2.101 0.077 1.00 0.00 C ATOM 106 C GLU A 91 57.282 -3.356 -0.056 1.00 0.00 C ATOM 107 O GLU A 91 57.553 -4.208 -0.902 1.00 0.00 O ATOM 108 CB GLU A 91 59.360 -2.405 0.964 1.00 0.00 C ATOM 109 CG GLU A 91 60.679 -1.933 0.374 1.00 0.00 C ATOM 110 CD GLU A 91 61.340 -0.853 1.207 1.00 0.00 C ATOM 111 OE1 GLU A 91 62.193 -1.194 2.053 1.00 0.00 O ATOM 112 OE2 GLU A 91 61.005 0.335 1.013 1.00 0.00 O ATOM 0 H GLU A 91 57.820 -0.581 1.480 1.00 0.00 H new ATOM 0 HA GLU A 91 58.469 -1.831 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.216 -1.932 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.412 -3.480 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 91 61.356 -2.782 0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.507 -1.554 -0.634 1.00 0.00 H new ATOM 119 N MET A 92 56.263 -3.491 0.787 1.00 0.00 N ATOM 120 CA MET A 92 55.405 -4.677 0.745 1.00 0.00 C ATOM 121 C MET A 92 54.204 -4.496 -0.183 1.00 0.00 C ATOM 122 O MET A 92 54.010 -5.272 -1.119 1.00 0.00 O ATOM 123 CB MET A 92 54.919 -5.026 2.152 1.00 0.00 C ATOM 124 CG MET A 92 54.273 -6.399 2.247 1.00 0.00 C ATOM 125 SD MET A 92 55.463 -7.701 2.619 1.00 0.00 S ATOM 126 CE MET A 92 55.223 -8.792 1.219 1.00 0.00 C ATOM 0 H MET A 92 56.011 -2.806 1.499 1.00 0.00 H new ATOM 0 HA MET A 92 56.008 -5.493 0.347 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.763 -4.982 2.841 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.202 -4.272 2.478 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.505 -6.382 3.020 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.773 -6.627 1.306 1.00 0.00 H new ATOM 0 HE1 MET A 92 55.892 -9.648 1.306 1.00 0.00 H new ATOM 0 HE2 MET A 92 54.190 -9.139 1.201 1.00 0.00 H new ATOM 0 HE3 MET A 92 55.441 -8.254 0.297 1.00 0.00 H new ATOM 136 N CYS A 93 53.393 -3.484 0.092 1.00 0.00 N ATOM 137 CA CYS A 93 52.200 -3.218 -0.706 1.00 0.00 C ATOM 138 C CYS A 93 52.527 -2.398 -1.949 1.00 0.00 C ATOM 139 O CYS A 93 51.991 -2.649 -3.029 1.00 0.00 O ATOM 140 CB CYS A 93 51.158 -2.476 0.134 1.00 0.00 C ATOM 141 SG CYS A 93 50.919 -3.150 1.795 1.00 0.00 S ATOM 0 H CYS A 93 53.538 -2.832 0.863 1.00 0.00 H new ATOM 0 HA CYS A 93 51.799 -4.179 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.455 -1.431 0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 93 50.204 -2.495 -0.393 1.00 0.00 H new ATOM 146 N GLY A 94 53.385 -1.401 -1.782 1.00 0.00 N ATOM 147 CA GLY A 94 53.744 -0.537 -2.889 1.00 0.00 C ATOM 148 C GLY A 94 53.008 0.787 -2.831 1.00 0.00 C ATOM 149 O GLY A 94 53.068 1.582 -3.769 1.00 0.00 O ATOM 0 H GLY A 94 53.840 -1.175 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.819 -0.356 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.517 -1.038 -3.830 1.00 0.00 H new ATOM 153 N ILE A 95 52.317 1.028 -1.717 1.00 0.00 N ATOM 154 CA ILE A 95 51.573 2.268 -1.528 1.00 0.00 C ATOM 155 C ILE A 95 52.500 3.463 -1.692 1.00 0.00 C ATOM 156 O ILE A 95 53.702 3.300 -1.908 1.00 0.00 O ATOM 157 CB ILE A 95 50.891 2.336 -0.137 1.00 0.00 C ATOM 158 CG1 ILE A 95 50.469 0.943 0.346 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.681 3.258 -0.182 1.00 0.00 C ATOM 160 CD1 ILE A 95 49.771 0.114 -0.712 1.00 0.00 C ATOM 0 H ILE A 95 52.258 0.379 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 95 50.791 2.292 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 95 51.619 2.736 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 95 51.352 0.405 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 95 49.806 1.052 1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 95 49.214 3.294 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 95 49.998 4.260 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.963 2.881 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 95 49.503 -0.857 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.868 0.629 -1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 95 50.438 -0.027 -1.562 1.00 0.00 H new ATOM 172 N VAL A 96 51.949 4.658 -1.566 1.00 0.00 N ATOM 173 CA VAL A 96 52.736 5.870 -1.677 1.00 0.00 C ATOM 174 C VAL A 96 52.141 6.970 -0.807 1.00 0.00 C ATOM 175 O VAL A 96 51.034 7.441 -1.069 1.00 0.00 O ATOM 176 CB VAL A 96 52.835 6.350 -3.134 1.00 0.00 C ATOM 177 CG1 VAL A 96 53.991 7.318 -3.286 1.00 0.00 C ATOM 178 CG2 VAL A 96 53.010 5.172 -4.078 1.00 0.00 C ATOM 0 H VAL A 96 50.957 4.813 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 96 53.743 5.640 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 96 51.908 6.861 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 96 54.052 7.652 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 96 53.833 8.179 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 96 54.921 6.821 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 96 53.078 5.535 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 96 53.923 4.633 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 96 52.155 4.502 -3.986 1.00 0.00 H new ATOM 188 N GLY A 97 52.868 7.383 0.225 1.00 0.00 N ATOM 189 CA GLY A 97 52.372 8.427 1.099 1.00 0.00 C ATOM 190 C GLY A 97 53.487 9.250 1.709 1.00 0.00 C ATOM 191 O GLY A 97 54.555 8.726 2.025 1.00 0.00 O ATOM 0 H GLY A 97 53.787 7.015 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.707 9.082 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.778 7.978 1.895 1.00 0.00 H new ATOM 195 N THR A 98 53.234 10.540 1.885 1.00 0.00 N ATOM 196 CA THR A 98 54.221 11.440 2.471 1.00 0.00 C ATOM 197 C THR A 98 54.538 11.019 3.903 1.00 0.00 C ATOM 198 O THR A 98 53.640 10.632 4.644 1.00 0.00 O ATOM 199 CB THR A 98 53.702 12.881 2.452 1.00 0.00 C ATOM 200 OG1 THR A 98 52.820 13.110 3.537 1.00 0.00 O ATOM 201 CG2 THR A 98 52.964 13.241 1.179 1.00 0.00 C ATOM 0 H THR A 98 52.354 10.988 1.631 1.00 0.00 H new ATOM 0 HA THR A 98 55.134 11.386 1.878 1.00 0.00 H new ATOM 0 HB THR A 98 54.592 13.506 2.524 1.00 0.00 H new ATOM 0 HG1 THR A 98 52.500 14.036 3.509 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.625 14.275 1.235 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.632 13.124 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 98 52.103 12.583 1.059 1.00 0.00 H new ATOM 209 N ARG A 99 55.820 11.071 4.277 1.00 0.00 N ATOM 210 CA ARG A 99 56.272 10.674 5.618 1.00 0.00 C ATOM 211 C ARG A 99 55.229 10.936 6.705 1.00 0.00 C ATOM 212 O ARG A 99 54.992 10.083 7.561 1.00 0.00 O ATOM 213 CB ARG A 99 57.571 11.403 5.969 1.00 0.00 C ATOM 214 CG ARG A 99 57.562 12.879 5.604 1.00 0.00 C ATOM 215 CD ARG A 99 58.972 13.448 5.551 1.00 0.00 C ATOM 216 NE ARG A 99 59.309 14.195 6.761 1.00 0.00 N ATOM 217 CZ ARG A 99 60.548 14.555 7.089 1.00 0.00 C ATOM 218 NH1 ARG A 99 61.568 14.246 6.296 1.00 0.00 N ATOM 219 NH2 ARG A 99 60.768 15.228 8.210 1.00 0.00 N ATOM 0 H ARG A 99 56.571 11.387 3.664 1.00 0.00 H new ATOM 0 HA ARG A 99 56.437 9.597 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.755 11.304 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.400 10.916 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 99 57.078 13.013 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 99 56.972 13.432 6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.686 12.635 5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 99 59.066 14.102 4.684 1.00 0.00 H new ATOM 0 HE ARG A 99 58.551 14.456 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 99 61.404 13.731 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 99 62.515 14.524 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 99 59.988 15.470 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 99 61.717 15.504 8.461 1.00 0.00 H new ATOM 233 N GLU A 100 54.619 12.118 6.684 1.00 0.00 N ATOM 234 CA GLU A 100 53.618 12.480 7.691 1.00 0.00 C ATOM 235 C GLU A 100 52.368 11.592 7.627 1.00 0.00 C ATOM 236 O GLU A 100 51.412 11.810 8.371 1.00 0.00 O ATOM 237 CB GLU A 100 53.218 13.948 7.533 1.00 0.00 C ATOM 238 CG GLU A 100 52.585 14.542 8.781 1.00 0.00 C ATOM 239 CD GLU A 100 53.579 14.716 9.913 1.00 0.00 C ATOM 240 OE1 GLU A 100 53.983 13.696 10.510 1.00 0.00 O ATOM 241 OE2 GLU A 100 53.952 15.872 10.204 1.00 0.00 O ATOM 0 H GLU A 100 54.797 12.840 5.986 1.00 0.00 H new ATOM 0 HA GLU A 100 54.078 12.323 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 100 54.101 14.531 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.518 14.038 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 100 52.146 15.509 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 100 51.771 13.897 9.113 1.00 0.00 H new ATOM 248 N ALA A 101 52.380 10.591 6.753 1.00 0.00 N ATOM 249 CA ALA A 101 51.251 9.678 6.618 1.00 0.00 C ATOM 250 C ALA A 101 51.726 8.228 6.565 1.00 0.00 C ATOM 251 O ALA A 101 51.015 7.351 6.073 1.00 0.00 O ATOM 252 CB ALA A 101 50.442 10.017 5.375 1.00 0.00 C ATOM 0 H ALA A 101 53.160 10.391 6.127 1.00 0.00 H new ATOM 0 HA ALA A 101 50.612 9.794 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.603 9.327 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.066 11.037 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.076 9.930 4.493 1.00 0.00 H new ATOM 258 N PHE A 102 52.936 7.983 7.064 1.00 0.00 N ATOM 259 CA PHE A 102 53.505 6.640 7.059 1.00 0.00 C ATOM 260 C PHE A 102 54.083 6.270 8.423 1.00 0.00 C ATOM 261 O PHE A 102 54.448 7.140 9.215 1.00 0.00 O ATOM 262 CB PHE A 102 54.592 6.536 5.987 1.00 0.00 C ATOM 263 CG PHE A 102 54.153 5.790 4.759 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.651 4.526 4.484 1.00 0.00 C ATOM 265 CD2 PHE A 102 53.243 6.354 3.879 1.00 0.00 C ATOM 266 CE1 PHE A 102 54.248 3.838 3.355 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.838 5.671 2.748 1.00 0.00 C ATOM 268 CZ PHE A 102 53.341 4.411 2.486 1.00 0.00 C ATOM 0 H PHE A 102 53.539 8.696 7.475 1.00 0.00 H new ATOM 0 HA PHE A 102 52.702 5.938 6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.905 7.540 5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.464 6.039 6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.362 4.074 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.846 7.338 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.642 2.853 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 102 52.129 6.122 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 102 53.025 3.875 1.603 1.00 0.00 H new ATOM 278 N PHE A 103 54.151 4.966 8.686 1.00 0.00 N ATOM 279 CA PHE A 103 54.672 4.454 9.955 1.00 0.00 C ATOM 280 C PHE A 103 55.952 5.185 10.354 1.00 0.00 C ATOM 281 O PHE A 103 57.036 4.885 9.855 1.00 0.00 O ATOM 282 CB PHE A 103 54.945 2.952 9.844 1.00 0.00 C ATOM 283 CG PHE A 103 54.998 2.244 11.169 1.00 0.00 C ATOM 284 CD1 PHE A 103 54.095 2.550 12.175 1.00 0.00 C ATOM 285 CD2 PHE A 103 55.954 1.269 11.407 1.00 0.00 C ATOM 286 CE1 PHE A 103 54.145 1.898 13.393 1.00 0.00 C ATOM 287 CE2 PHE A 103 56.009 0.614 12.622 1.00 0.00 C ATOM 288 CZ PHE A 103 55.103 0.929 13.616 1.00 0.00 C ATOM 0 H PHE A 103 53.851 4.241 8.035 1.00 0.00 H new ATOM 0 HA PHE A 103 53.921 4.628 10.726 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.169 2.496 9.230 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.891 2.802 9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 103 53.343 3.307 12.005 1.00 0.00 H new ATOM 0 HD2 PHE A 103 56.664 1.018 10.633 1.00 0.00 H new ATOM 0 HE1 PHE A 103 53.436 2.146 14.169 1.00 0.00 H new ATOM 0 HE2 PHE A 103 56.759 -0.143 12.795 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.144 0.418 14.567 1.00 0.00 H new ATOM 298 N SER A 104 55.806 6.156 11.250 1.00 0.00 N ATOM 299 CA SER A 104 56.934 6.956 11.721 1.00 0.00 C ATOM 300 C SER A 104 58.081 6.084 12.222 1.00 0.00 C ATOM 301 O SER A 104 59.241 6.495 12.189 1.00 0.00 O ATOM 302 CB SER A 104 56.478 7.899 12.834 1.00 0.00 C ATOM 303 OG SER A 104 57.122 9.156 12.733 1.00 0.00 O ATOM 0 H SER A 104 54.911 6.410 11.668 1.00 0.00 H new ATOM 0 HA SER A 104 57.301 7.535 10.874 1.00 0.00 H new ATOM 0 HB2 SER A 104 55.398 8.035 12.780 1.00 0.00 H new ATOM 0 HB3 SER A 104 56.695 7.453 13.805 1.00 0.00 H new ATOM 0 HG SER A 104 56.812 9.741 13.455 1.00 0.00 H new ATOM 309 N LYS A 105 57.756 4.883 12.689 1.00 0.00 N ATOM 310 CA LYS A 105 58.769 3.962 13.200 1.00 0.00 C ATOM 311 C LYS A 105 59.948 3.854 12.235 1.00 0.00 C ATOM 312 O LYS A 105 61.087 4.152 12.594 1.00 0.00 O ATOM 313 CB LYS A 105 58.157 2.581 13.434 1.00 0.00 C ATOM 314 CG LYS A 105 58.811 1.810 14.569 1.00 0.00 C ATOM 315 CD LYS A 105 58.471 2.415 15.922 1.00 0.00 C ATOM 316 CE LYS A 105 59.280 1.774 17.039 1.00 0.00 C ATOM 317 NZ LYS A 105 60.481 2.580 17.392 1.00 0.00 N ATOM 0 H LYS A 105 56.802 4.524 12.725 1.00 0.00 H new ATOM 0 HA LYS A 105 59.137 4.355 14.148 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.094 2.695 13.648 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.236 1.998 12.517 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.483 0.771 14.541 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.892 1.806 14.432 1.00 0.00 H new ATOM 0 HD2 LYS A 105 58.664 3.488 15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 105 57.407 2.287 16.122 1.00 0.00 H new ATOM 0 HE2 LYS A 105 58.650 1.656 17.921 1.00 0.00 H new ATOM 0 HE3 LYS A 105 59.591 0.775 16.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 61.004 2.107 18.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 61.095 2.671 16.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 60.184 3.525 17.708 1.00 0.00 H new ATOM 331 N THR A 106 59.663 3.430 11.010 1.00 0.00 N ATOM 332 CA THR A 106 60.697 3.287 9.990 1.00 0.00 C ATOM 333 C THR A 106 60.369 4.128 8.759 1.00 0.00 C ATOM 334 O THR A 106 61.266 4.652 8.097 1.00 0.00 O ATOM 335 CB THR A 106 60.851 1.817 9.595 1.00 0.00 C ATOM 336 OG1 THR A 106 59.589 1.173 9.555 1.00 0.00 O ATOM 337 CG2 THR A 106 61.736 1.034 10.542 1.00 0.00 C ATOM 0 H THR A 106 58.725 3.179 10.698 1.00 0.00 H new ATOM 0 HA THR A 106 61.638 3.644 10.408 1.00 0.00 H new ATOM 0 HB THR A 106 61.319 1.829 8.611 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.709 0.235 9.299 1.00 0.00 H new ATOM 0 HG21 THR A 106 61.804 -0.000 10.205 1.00 0.00 H new ATOM 0 HG22 THR A 106 62.732 1.476 10.558 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.310 1.062 11.545 1.00 0.00 H new ATOM 345 N LYS A 107 59.077 4.249 8.457 1.00 0.00 N ATOM 346 CA LYS A 107 58.614 5.023 7.305 1.00 0.00 C ATOM 347 C LYS A 107 58.793 4.245 6.000 1.00 0.00 C ATOM 348 O LYS A 107 58.378 4.706 4.936 1.00 0.00 O ATOM 349 CB LYS A 107 59.348 6.367 7.221 1.00 0.00 C ATOM 350 CG LYS A 107 58.441 7.538 6.874 1.00 0.00 C ATOM 351 CD LYS A 107 57.499 7.875 8.021 1.00 0.00 C ATOM 352 CE LYS A 107 58.063 8.978 8.901 1.00 0.00 C ATOM 353 NZ LYS A 107 59.415 8.634 9.422 1.00 0.00 N ATOM 0 H LYS A 107 58.327 3.818 8.998 1.00 0.00 H new ATOM 0 HA LYS A 107 57.550 5.211 7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.834 6.566 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.136 6.294 6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.048 8.410 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 107 57.860 7.298 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 107 56.534 8.185 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.323 6.983 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.119 9.905 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.387 9.158 9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 59.673 9.295 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.407 7.663 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.111 8.703 8.653 1.00 0.00 H new ATOM 367 N ARG A 108 59.408 3.065 6.081 1.00 0.00 N ATOM 368 CA ARG A 108 59.628 2.238 4.901 1.00 0.00 C ATOM 369 C ARG A 108 58.391 1.399 4.590 1.00 0.00 C ATOM 370 O ARG A 108 58.167 1.005 3.446 1.00 0.00 O ATOM 371 CB ARG A 108 60.843 1.331 5.107 1.00 0.00 C ATOM 372 CG ARG A 108 62.173 2.060 4.991 1.00 0.00 C ATOM 373 CD ARG A 108 63.208 1.493 5.950 1.00 0.00 C ATOM 374 NE ARG A 108 63.549 0.108 5.632 1.00 0.00 N ATOM 375 CZ ARG A 108 64.610 -0.526 6.126 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.440 0.097 6.954 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.843 -1.788 5.790 1.00 0.00 N ATOM 0 H ARG A 108 59.761 2.664 6.950 1.00 0.00 H new ATOM 0 HA ARG A 108 59.819 2.896 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.777 0.867 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.814 0.526 4.373 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.543 1.983 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 108 62.027 3.120 5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 108 64.109 2.105 5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 108 62.826 1.547 6.969 1.00 0.00 H new ATOM 0 HE ARG A 108 62.938 -0.403 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.267 1.068 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 108 66.251 -0.395 7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 108 64.209 -2.272 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 108 65.656 -2.275 6.168 1.00 0.00 H new ATOM 391 N PHE A 109 57.585 1.137 5.616 1.00 0.00 N ATOM 392 CA PHE A 109 56.366 0.354 5.454 1.00 0.00 C ATOM 393 C PHE A 109 55.167 1.114 6.018 1.00 0.00 C ATOM 394 O PHE A 109 55.263 1.755 7.065 1.00 0.00 O ATOM 395 CB PHE A 109 56.506 -1.003 6.144 1.00 0.00 C ATOM 396 CG PHE A 109 57.816 -1.686 5.865 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.095 -2.203 4.608 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.770 -1.812 6.863 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.300 -2.831 4.354 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.976 -2.438 6.614 1.00 0.00 C ATOM 401 CZ PHE A 109 60.241 -2.949 5.359 1.00 0.00 C ATOM 0 H PHE A 109 57.756 1.457 6.569 1.00 0.00 H new ATOM 0 HA PHE A 109 56.203 0.186 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.398 -0.867 7.220 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.691 -1.651 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 109 57.363 -2.114 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.568 -1.416 7.847 1.00 0.00 H new ATOM 0 HE1 PHE A 109 59.506 -3.229 3.371 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.711 -2.528 7.400 1.00 0.00 H new ATOM 0 HZ PHE A 109 61.183 -3.440 5.163 1.00 0.00 H new ATOM 411 N CYS A 110 54.048 1.056 5.305 1.00 0.00 N ATOM 412 CA CYS A 110 52.831 1.754 5.709 1.00 0.00 C ATOM 413 C CYS A 110 52.274 1.249 7.041 1.00 0.00 C ATOM 414 O CYS A 110 51.394 1.883 7.624 1.00 0.00 O ATOM 415 CB CYS A 110 51.767 1.607 4.619 1.00 0.00 C ATOM 416 SG CYS A 110 51.230 -0.098 4.330 1.00 0.00 S ATOM 0 H CYS A 110 53.958 0.528 4.437 1.00 0.00 H new ATOM 0 HA CYS A 110 53.093 2.803 5.846 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.899 2.208 4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 110 52.159 2.015 3.687 1.00 0.00 H new ATOM 421 N SER A 111 52.769 0.112 7.521 1.00 0.00 N ATOM 422 CA SER A 111 52.281 -0.443 8.782 1.00 0.00 C ATOM 423 C SER A 111 53.309 -1.361 9.432 1.00 0.00 C ATOM 424 O SER A 111 54.196 -1.892 8.763 1.00 0.00 O ATOM 425 CB SER A 111 50.985 -1.223 8.543 1.00 0.00 C ATOM 426 OG SER A 111 51.258 -2.571 8.190 1.00 0.00 O ATOM 0 H SER A 111 53.497 -0.437 7.065 1.00 0.00 H new ATOM 0 HA SER A 111 52.096 0.392 9.458 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.370 -1.197 9.442 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.410 -0.745 7.750 1.00 0.00 H new ATOM 0 HG SER A 111 50.415 -3.048 8.044 1.00 0.00 H new ATOM 432 N VAL A 112 53.163 -1.568 10.739 1.00 0.00 N ATOM 433 CA VAL A 112 54.060 -2.450 11.471 1.00 0.00 C ATOM 434 C VAL A 112 53.869 -3.882 10.991 1.00 0.00 C ATOM 435 O VAL A 112 54.817 -4.668 10.933 1.00 0.00 O ATOM 436 CB VAL A 112 53.816 -2.380 12.992 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.390 -2.789 13.328 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.817 -3.253 13.736 1.00 0.00 C ATOM 0 H VAL A 112 52.434 -1.138 11.308 1.00 0.00 H new ATOM 0 HA VAL A 112 55.082 -2.122 11.280 1.00 0.00 H new ATOM 0 HB VAL A 112 53.958 -1.348 13.314 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.240 -2.732 14.406 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.692 -2.118 12.829 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.215 -3.811 12.990 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.629 -3.190 14.808 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.711 -4.287 13.409 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.829 -2.907 13.525 1.00 0.00 H new ATOM 448 N SER A 113 52.630 -4.207 10.622 1.00 0.00 N ATOM 449 CA SER A 113 52.309 -5.533 10.116 1.00 0.00 C ATOM 450 C SER A 113 53.172 -5.830 8.899 1.00 0.00 C ATOM 451 O SER A 113 53.700 -6.930 8.751 1.00 0.00 O ATOM 452 CB SER A 113 50.828 -5.625 9.746 1.00 0.00 C ATOM 453 OG SER A 113 50.400 -6.975 9.683 1.00 0.00 O ATOM 0 H SER A 113 51.836 -3.568 10.665 1.00 0.00 H new ATOM 0 HA SER A 113 52.511 -6.269 10.895 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.232 -5.085 10.482 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.660 -5.142 8.784 1.00 0.00 H new ATOM 0 HG SER A 113 49.449 -7.006 9.446 1.00 0.00 H new ATOM 459 N CYS A 114 53.327 -4.824 8.042 1.00 0.00 N ATOM 460 CA CYS A 114 54.149 -4.964 6.847 1.00 0.00 C ATOM 461 C CYS A 114 55.593 -5.281 7.231 1.00 0.00 C ATOM 462 O CYS A 114 56.354 -5.821 6.430 1.00 0.00 O ATOM 463 CB CYS A 114 54.099 -3.683 6.013 1.00 0.00 C ATOM 464 SG CYS A 114 52.841 -3.695 4.715 1.00 0.00 S ATOM 0 H CYS A 114 52.895 -3.907 8.154 1.00 0.00 H new ATOM 0 HA CYS A 114 53.754 -5.787 6.251 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.913 -2.838 6.676 1.00 0.00 H new ATOM 0 HB3 CYS A 114 55.075 -3.521 5.556 1.00 0.00 H new ATOM 469 N SER A 115 55.957 -4.950 8.469 1.00 0.00 N ATOM 470 CA SER A 115 57.302 -5.208 8.970 1.00 0.00 C ATOM 471 C SER A 115 57.435 -6.667 9.389 1.00 0.00 C ATOM 472 O SER A 115 58.333 -7.385 8.931 1.00 0.00 O ATOM 473 CB SER A 115 57.616 -4.291 10.155 1.00 0.00 C ATOM 474 OG SER A 115 59.010 -4.072 10.279 1.00 0.00 O ATOM 0 H SER A 115 55.336 -4.502 9.143 1.00 0.00 H new ATOM 0 HA SER A 115 58.015 -5.002 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.106 -3.337 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.232 -4.735 11.073 1.00 0.00 H new ATOM 0 HG SER A 115 59.182 -3.482 11.042 1.00 0.00 H new ATOM 480 N ARG A 116 56.501 -7.121 10.219 1.00 0.00 N ATOM 481 CA ARG A 116 56.494 -8.510 10.651 1.00 0.00 C ATOM 482 C ARG A 116 56.167 -9.408 9.463 1.00 0.00 C ATOM 483 O ARG A 116 56.431 -10.610 9.482 1.00 0.00 O ATOM 484 CB ARG A 116 55.472 -8.722 11.771 1.00 0.00 C ATOM 485 CG ARG A 116 54.114 -8.102 11.481 1.00 0.00 C ATOM 486 CD ARG A 116 53.052 -8.610 12.442 1.00 0.00 C ATOM 487 NE ARG A 116 51.786 -8.880 11.764 1.00 0.00 N ATOM 488 CZ ARG A 116 50.703 -9.352 12.377 1.00 0.00 C ATOM 489 NH1 ARG A 116 50.728 -9.603 13.680 1.00 0.00 N ATOM 490 NH2 ARG A 116 49.594 -9.573 11.686 1.00 0.00 N ATOM 0 H ARG A 116 55.746 -6.551 10.602 1.00 0.00 H new ATOM 0 HA ARG A 116 57.480 -8.766 11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.346 -9.792 11.938 1.00 0.00 H new ATOM 0 HB3 ARG A 116 55.865 -8.299 12.695 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.185 -7.017 11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 116 53.819 -8.332 10.457 1.00 0.00 H new ATOM 0 HD2 ARG A 116 53.406 -9.521 12.926 1.00 0.00 H new ATOM 0 HD3 ARG A 116 52.892 -7.873 13.229 1.00 0.00 H new ATOM 0 HE ARG A 116 51.729 -8.696 10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 116 51.579 -9.434 14.216 1.00 0.00 H new ATOM 0 HH12 ARG A 116 49.896 -9.965 14.146 1.00 0.00 H new ATOM 0 HH21 ARG A 116 49.570 -9.381 10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 116 48.764 -9.935 12.156 1.00 0.00 H new ATOM 504 N SER A 117 55.611 -8.797 8.416 1.00 0.00 N ATOM 505 CA SER A 117 55.266 -9.513 7.203 1.00 0.00 C ATOM 506 C SER A 117 56.498 -9.656 6.325 1.00 0.00 C ATOM 507 O SER A 117 56.854 -10.758 5.910 1.00 0.00 O ATOM 508 CB SER A 117 54.162 -8.774 6.444 1.00 0.00 C ATOM 509 OG SER A 117 53.553 -9.614 5.480 1.00 0.00 O ATOM 0 H SER A 117 55.392 -7.801 8.391 1.00 0.00 H new ATOM 0 HA SER A 117 54.899 -10.504 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 117 53.409 -8.418 7.147 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.580 -7.896 5.953 1.00 0.00 H new ATOM 0 HG SER A 117 53.752 -10.550 5.689 1.00 0.00 H new ATOM 515 N TYR A 118 57.160 -8.533 6.060 1.00 0.00 N ATOM 516 CA TYR A 118 58.368 -8.517 5.249 1.00 0.00 C ATOM 517 C TYR A 118 59.457 -9.376 5.886 1.00 0.00 C ATOM 518 O TYR A 118 60.366 -9.852 5.205 1.00 0.00 O ATOM 519 CB TYR A 118 58.857 -7.071 5.126 1.00 0.00 C ATOM 520 CG TYR A 118 59.666 -6.776 3.886 1.00 0.00 C ATOM 521 CD1 TYR A 118 59.078 -6.172 2.782 1.00 0.00 C ATOM 522 CD2 TYR A 118 61.019 -7.078 3.827 1.00 0.00 C ATOM 523 CE1 TYR A 118 59.816 -5.878 1.653 1.00 0.00 C ATOM 524 CE2 TYR A 118 61.765 -6.790 2.700 1.00 0.00 C ATOM 525 CZ TYR A 118 61.159 -6.188 1.616 1.00 0.00 C ATOM 526 OH TYR A 118 61.900 -5.894 0.493 1.00 0.00 O ATOM 0 H TYR A 118 56.874 -7.615 6.400 1.00 0.00 H new ATOM 0 HA TYR A 118 58.145 -8.925 4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.992 -6.408 5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.461 -6.831 6.001 1.00 0.00 H new ATOM 0 HD1 TYR A 118 58.026 -5.928 2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 118 61.497 -7.546 4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 118 59.344 -5.408 0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 118 62.816 -7.035 2.668 1.00 0.00 H new ATOM 0 HH TYR A 118 61.525 -5.104 0.051 1.00 0.00 H new ATOM 536 N SER A 119 59.345 -9.581 7.196 1.00 0.00 N ATOM 537 CA SER A 119 60.309 -10.396 7.924 1.00 0.00 C ATOM 538 C SER A 119 59.905 -11.871 7.915 1.00 0.00 C ATOM 539 O SER A 119 60.743 -12.755 7.732 1.00 0.00 O ATOM 540 CB SER A 119 60.450 -9.893 9.361 1.00 0.00 C ATOM 541 OG SER A 119 61.773 -10.074 9.836 1.00 0.00 O ATOM 0 H SER A 119 58.598 -9.194 7.772 1.00 0.00 H new ATOM 0 HA SER A 119 61.272 -10.308 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 119 60.184 -8.837 9.408 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.752 -10.426 10.007 1.00 0.00 H new ATOM 0 HG SER A 119 61.838 -9.743 10.756 1.00 0.00 H new ATOM 547 N SER A 120 58.620 -12.127 8.136 1.00 0.00 N ATOM 548 CA SER A 120 58.103 -13.495 8.177 1.00 0.00 C ATOM 549 C SER A 120 57.810 -14.052 6.782 1.00 0.00 C ATOM 550 O SER A 120 58.288 -15.128 6.422 1.00 0.00 O ATOM 551 CB SER A 120 56.833 -13.552 9.029 1.00 0.00 C ATOM 552 OG SER A 120 57.133 -13.398 10.406 1.00 0.00 O ATOM 0 H SER A 120 57.915 -11.406 8.290 1.00 0.00 H new ATOM 0 HA SER A 120 58.880 -14.116 8.622 1.00 0.00 H new ATOM 0 HB2 SER A 120 56.145 -12.768 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.326 -14.504 8.869 1.00 0.00 H new ATOM 0 HG SER A 120 57.017 -12.460 10.663 1.00 0.00 H new ATOM 558 N ASN A 121 56.999 -13.331 6.012 1.00 0.00 N ATOM 559 CA ASN A 121 56.611 -13.767 4.671 1.00 0.00 C ATOM 560 C ASN A 121 57.798 -13.827 3.723 1.00 0.00 C ATOM 561 O ASN A 121 57.661 -14.290 2.592 1.00 0.00 O ATOM 562 CB ASN A 121 55.542 -12.836 4.095 1.00 0.00 C ATOM 563 CG ASN A 121 54.192 -13.030 4.753 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.004 -12.401 5.904 1.00 0.00 O flip ATOM 565 ND2 ASN A 121 53.329 -13.739 4.233 1.00 0.00 N flip ATOM 0 H ASN A 121 56.596 -12.438 6.295 1.00 0.00 H new ATOM 0 HA ASN A 121 56.207 -14.775 4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 121 55.859 -11.801 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 121 55.450 -13.013 3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 121 53.518 -14.204 3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 121 52.425 -13.861 4.690 1.00 0.00 H new ATOM 572 N SER A 122 58.960 -13.376 4.190 1.00 0.00 N ATOM 573 CA SER A 122 60.185 -13.383 3.398 1.00 0.00 C ATOM 574 C SER A 122 59.934 -13.108 1.914 1.00 0.00 C ATOM 575 O SER A 122 59.419 -13.960 1.190 1.00 0.00 O ATOM 576 CB SER A 122 60.914 -14.719 3.561 1.00 0.00 C ATOM 577 OG SER A 122 61.309 -14.927 4.907 1.00 0.00 O ATOM 0 H SER A 122 59.078 -12.995 5.129 1.00 0.00 H new ATOM 0 HA SER A 122 60.807 -12.572 3.776 1.00 0.00 H new ATOM 0 HB2 SER A 122 60.263 -15.533 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 122 61.791 -14.739 2.915 1.00 0.00 H new ATOM 0 HG SER A 122 61.771 -15.788 4.983 1.00 0.00 H new ATOM 583 N LYS A 123 60.323 -11.922 1.462 1.00 0.00 N ATOM 584 CA LYS A 123 60.153 -11.548 0.062 1.00 0.00 C ATOM 585 C LYS A 123 61.216 -12.204 -0.809 1.00 0.00 C ATOM 586 O LYS A 123 60.922 -12.717 -1.889 1.00 0.00 O ATOM 587 CB LYS A 123 60.215 -10.029 -0.100 1.00 0.00 C ATOM 588 CG LYS A 123 61.418 -9.387 0.574 1.00 0.00 C ATOM 589 CD LYS A 123 62.409 -8.845 -0.444 1.00 0.00 C ATOM 590 CE LYS A 123 63.844 -8.989 0.040 1.00 0.00 C ATOM 591 NZ LYS A 123 64.551 -7.679 0.081 1.00 0.00 N ATOM 0 H LYS A 123 60.757 -11.204 2.042 1.00 0.00 H new ATOM 0 HA LYS A 123 59.173 -11.899 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 123 60.234 -9.787 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 123 59.305 -9.592 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 123 61.083 -8.578 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 123 61.914 -10.121 1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 123 62.288 -9.375 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 123 62.194 -7.794 -0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 123 63.849 -9.435 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 123 64.382 -9.671 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 65.268 -7.695 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 65.014 -7.506 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 63.865 -6.920 0.271 1.00 0.00 H new ATOM 605 N LYS A 124 62.455 -12.181 -0.332 1.00 0.00 N ATOM 606 CA LYS A 124 63.575 -12.769 -1.058 1.00 0.00 C ATOM 607 C LYS A 124 63.580 -12.326 -2.520 1.00 0.00 C ATOM 608 O LYS A 124 62.857 -11.362 -2.847 1.00 0.00 O ATOM 609 CB LYS A 124 63.522 -14.296 -0.969 1.00 0.00 C ATOM 610 CG LYS A 124 64.792 -14.915 -0.410 1.00 0.00 C ATOM 611 CD LYS A 124 65.878 -15.010 -1.469 1.00 0.00 C ATOM 612 CE LYS A 124 66.778 -13.785 -1.456 1.00 0.00 C ATOM 613 NZ LYS A 124 67.568 -13.688 -0.197 1.00 0.00 N ATOM 614 OXT LYS A 124 64.307 -12.948 -3.324 1.00 0.00 O ATOM 0 H LYS A 124 62.711 -11.758 0.560 1.00 0.00 H new ATOM 0 HA LYS A 124 64.497 -12.418 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 124 62.679 -14.586 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 124 63.335 -14.704 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 124 65.151 -14.318 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 124 64.573 -15.910 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 124 66.477 -15.905 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 124 65.420 -15.116 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 124 67.457 -13.824 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 124 66.171 -12.887 -1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 68.433 -13.138 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 66.999 -13.215 0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 67.824 -14.643 0.127 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 52.269 -1.927 3.278 1.00 0.00 ZN