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 117 SER OG : rot 0:sc= 0.0483 USER MOD Set 1.2: A 121 ASN :FLIP amide:sc= -0.806 F(o=-1.3,f=-0.76) 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+ 145:sc= -0.278 (180deg=-1.41!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= -0.394 (180deg=-0.675) USER MOD Single : A 111 SER OG : rot 180:sc= 0.333 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -82:sc= 1 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 79:sc= 1.12 USER MOD Single : A 122 SER OG : rot -169:sc= 0.153 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0141) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 65.202 16.815 6.283 1.00 0.00 N ATOM 2 CA GLY A 82 64.912 15.405 6.664 1.00 0.00 C ATOM 3 C GLY A 82 63.453 15.039 6.469 1.00 0.00 C ATOM 4 O GLY A 82 63.097 14.381 5.492 1.00 0.00 O ATOM 0 HA2 GLY A 82 65.534 14.736 6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 82 65.186 15.250 7.708 1.00 0.00 H new ATOM 10 N SER A 83 62.609 15.467 7.402 1.00 0.00 N ATOM 11 CA SER A 83 61.180 15.181 7.330 1.00 0.00 C ATOM 12 C SER A 83 60.584 15.699 6.024 1.00 0.00 C ATOM 13 O SER A 83 60.323 14.928 5.101 1.00 0.00 O ATOM 14 CB SER A 83 60.453 15.806 8.524 1.00 0.00 C ATOM 15 OG SER A 83 59.757 14.822 9.269 1.00 0.00 O ATOM 0 H SER A 83 62.889 16.013 8.217 1.00 0.00 H new ATOM 0 HA SER A 83 61.049 14.099 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 83 61.172 16.312 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 83 59.752 16.563 8.172 1.00 0.00 H new ATOM 0 HG SER A 83 59.303 15.246 10.027 1.00 0.00 H new ATOM 21 N GLY A 84 60.373 17.010 5.953 1.00 0.00 N ATOM 22 CA GLY A 84 59.810 17.607 4.755 1.00 0.00 C ATOM 23 C GLY A 84 58.454 17.028 4.399 1.00 0.00 C ATOM 24 O GLY A 84 57.692 16.631 5.279 1.00 0.00 O ATOM 0 H GLY A 84 60.582 17.669 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 84 59.715 18.683 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 84 60.496 17.456 3.921 1.00 0.00 H new ATOM 28 N SER A 85 58.154 16.979 3.105 1.00 0.00 N ATOM 29 CA SER A 85 56.882 16.442 2.635 1.00 0.00 C ATOM 30 C SER A 85 57.097 15.489 1.462 1.00 0.00 C ATOM 31 O SER A 85 56.411 15.576 0.443 1.00 0.00 O ATOM 32 CB SER A 85 55.946 17.580 2.221 1.00 0.00 C ATOM 33 OG SER A 85 56.593 18.479 1.337 1.00 0.00 O ATOM 0 H SER A 85 58.774 17.305 2.364 1.00 0.00 H new ATOM 0 HA SER A 85 56.424 15.886 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 85 55.059 17.168 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 85 55.608 18.117 3.107 1.00 0.00 H new ATOM 0 HG SER A 85 55.973 19.195 1.087 1.00 0.00 H new ATOM 39 N GLU A 86 58.059 14.585 1.611 1.00 0.00 N ATOM 40 CA GLU A 86 58.372 13.620 0.562 1.00 0.00 C ATOM 41 C GLU A 86 57.587 12.324 0.752 1.00 0.00 C ATOM 42 O GLU A 86 57.312 11.913 1.879 1.00 0.00 O ATOM 43 CB GLU A 86 59.872 13.320 0.547 1.00 0.00 C ATOM 44 CG GLU A 86 60.396 12.780 1.868 1.00 0.00 C ATOM 45 CD GLU A 86 61.823 12.279 1.767 1.00 0.00 C ATOM 46 OE1 GLU A 86 62.012 11.074 1.499 1.00 0.00 O ATOM 47 OE2 GLU A 86 62.753 13.091 1.957 1.00 0.00 O ATOM 0 H GLU A 86 58.636 14.500 2.448 1.00 0.00 H new ATOM 0 HA GLU A 86 58.083 14.059 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.082 12.597 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.414 14.232 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.342 13.564 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 86 59.752 11.968 2.205 1.00 0.00 H new ATOM 54 N PRO A 87 57.214 11.664 -0.358 1.00 0.00 N ATOM 55 CA PRO A 87 56.459 10.414 -0.321 1.00 0.00 C ATOM 56 C PRO A 87 57.359 9.191 -0.162 1.00 0.00 C ATOM 57 O PRO A 87 58.504 9.187 -0.616 1.00 0.00 O ATOM 58 CB PRO A 87 55.779 10.403 -1.686 1.00 0.00 C ATOM 59 CG PRO A 87 56.750 11.084 -2.590 1.00 0.00 C ATOM 60 CD PRO A 87 57.498 12.087 -1.744 1.00 0.00 C ATOM 0 HA PRO A 87 55.774 10.365 0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 87 55.572 9.386 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 87 54.825 10.929 -1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 87 57.437 10.363 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 87 56.233 11.580 -3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 87 58.567 12.070 -1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 87 57.152 13.104 -1.930 1.00 0.00 H new ATOM 68 N ALA A 88 56.833 8.157 0.485 1.00 0.00 N ATOM 69 CA ALA A 88 57.583 6.926 0.707 1.00 0.00 C ATOM 70 C ALA A 88 56.823 5.719 0.166 1.00 0.00 C ATOM 71 O ALA A 88 55.695 5.449 0.578 1.00 0.00 O ATOM 72 CB ALA A 88 57.873 6.748 2.190 1.00 0.00 C ATOM 0 H ALA A 88 55.887 8.147 0.866 1.00 0.00 H new ATOM 0 HA ALA A 88 58.528 7.000 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 88 58.433 5.826 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 88 58.460 7.593 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.934 6.698 2.741 1.00 0.00 H new ATOM 78 N VAL A 89 57.443 5.002 -0.766 1.00 0.00 N ATOM 79 CA VAL A 89 56.820 3.829 -1.371 1.00 0.00 C ATOM 80 C VAL A 89 56.919 2.607 -0.461 1.00 0.00 C ATOM 81 O VAL A 89 57.960 2.353 0.146 1.00 0.00 O ATOM 82 CB VAL A 89 57.464 3.492 -2.730 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.687 2.388 -3.431 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.552 4.734 -3.606 1.00 0.00 C ATOM 0 H VAL A 89 58.377 5.212 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 89 55.769 4.078 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 89 58.477 3.133 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.157 2.164 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.686 1.493 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.661 2.715 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 89 58.010 4.474 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.551 5.129 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.159 5.489 -3.106 1.00 0.00 H new ATOM 94 N CYS A 90 55.827 1.851 -0.375 1.00 0.00 N ATOM 95 CA CYS A 90 55.786 0.652 0.454 1.00 0.00 C ATOM 96 C CYS A 90 56.427 -0.529 -0.272 1.00 0.00 C ATOM 97 O CYS A 90 55.940 -0.972 -1.311 1.00 0.00 O ATOM 98 CB CYS A 90 54.341 0.321 0.834 1.00 0.00 C ATOM 99 SG CYS A 90 54.182 -1.019 2.036 1.00 0.00 S ATOM 0 H CYS A 90 54.958 2.049 -0.871 1.00 0.00 H new ATOM 0 HA CYS A 90 56.354 0.843 1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.869 1.216 1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.792 0.052 -0.068 1.00 0.00 H new ATOM 104 N GLU A 91 57.538 -1.015 0.270 1.00 0.00 N ATOM 105 CA GLU A 91 58.276 -2.125 -0.327 1.00 0.00 C ATOM 106 C GLU A 91 57.439 -3.399 -0.441 1.00 0.00 C ATOM 107 O GLU A 91 57.759 -4.283 -1.236 1.00 0.00 O ATOM 108 CB GLU A 91 59.530 -2.412 0.505 1.00 0.00 C ATOM 109 CG GLU A 91 60.780 -1.731 -0.025 1.00 0.00 C ATOM 110 CD GLU A 91 60.606 -0.233 -0.178 1.00 0.00 C ATOM 111 OE1 GLU A 91 60.384 0.447 0.847 1.00 0.00 O ATOM 112 OE2 GLU A 91 60.690 0.261 -1.322 1.00 0.00 O ATOM 0 H GLU A 91 57.951 -0.654 1.130 1.00 0.00 H new ATOM 0 HA GLU A 91 58.546 -1.824 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.357 -2.088 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.698 -3.489 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 91 61.612 -1.929 0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 91 61.043 -2.163 -0.990 1.00 0.00 H new ATOM 119 N MET A 92 56.392 -3.514 0.367 1.00 0.00 N ATOM 120 CA MET A 92 55.560 -4.715 0.349 1.00 0.00 C ATOM 121 C MET A 92 54.320 -4.563 -0.533 1.00 0.00 C ATOM 122 O MET A 92 54.110 -5.350 -1.456 1.00 0.00 O ATOM 123 CB MET A 92 55.136 -5.073 1.773 1.00 0.00 C ATOM 124 CG MET A 92 54.613 -6.492 1.913 1.00 0.00 C ATOM 125 SD MET A 92 52.893 -6.651 1.395 1.00 0.00 S ATOM 126 CE MET A 92 52.495 -8.275 2.037 1.00 0.00 C ATOM 0 H MET A 92 56.100 -2.801 1.036 1.00 0.00 H new ATOM 0 HA MET A 92 56.164 -5.515 -0.079 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.987 -4.941 2.441 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.364 -4.376 2.099 1.00 0.00 H new ATOM 0 HG2 MET A 92 55.231 -7.164 1.318 1.00 0.00 H new ATOM 0 HG3 MET A 92 54.707 -6.809 2.952 1.00 0.00 H new ATOM 0 HE1 MET A 92 51.460 -8.518 1.796 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.156 -9.016 1.587 1.00 0.00 H new ATOM 0 HE3 MET A 92 52.626 -8.281 3.119 1.00 0.00 H new ATOM 136 N CYS A 93 53.487 -3.574 -0.230 1.00 0.00 N ATOM 137 CA CYS A 93 52.254 -3.354 -0.982 1.00 0.00 C ATOM 138 C CYS A 93 52.463 -2.426 -2.175 1.00 0.00 C ATOM 139 O CYS A 93 51.753 -2.527 -3.176 1.00 0.00 O ATOM 140 CB CYS A 93 51.179 -2.766 -0.065 1.00 0.00 C ATOM 141 SG CYS A 93 51.118 -3.504 1.585 1.00 0.00 S ATOM 0 H CYS A 93 53.641 -2.912 0.530 1.00 0.00 H new ATOM 0 HA CYS A 93 51.933 -4.323 -1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.351 -1.694 0.036 1.00 0.00 H new ATOM 0 HB3 CYS A 93 50.206 -2.889 -0.541 1.00 0.00 H new ATOM 146 N GLY A 94 53.426 -1.520 -2.068 1.00 0.00 N ATOM 147 CA GLY A 94 53.686 -0.592 -3.153 1.00 0.00 C ATOM 148 C GLY A 94 53.092 0.781 -2.897 1.00 0.00 C ATOM 149 O GLY A 94 53.560 1.777 -3.446 1.00 0.00 O ATOM 0 H GLY A 94 54.030 -1.411 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.762 -0.498 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.275 -0.995 -4.078 1.00 0.00 H new ATOM 153 N ILE A 95 52.056 0.835 -2.061 1.00 0.00 N ATOM 154 CA ILE A 95 51.402 2.099 -1.735 1.00 0.00 C ATOM 155 C ILE A 95 52.417 3.133 -1.259 1.00 0.00 C ATOM 156 O ILE A 95 53.325 2.820 -0.491 1.00 0.00 O ATOM 157 CB ILE A 95 50.320 1.916 -0.647 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.215 0.979 -1.138 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.729 3.262 -0.247 1.00 0.00 C ATOM 160 CD1 ILE A 95 49.390 -0.456 -0.692 1.00 0.00 C ATOM 0 H ILE A 95 51.653 0.020 -1.599 1.00 0.00 H new ATOM 0 HA ILE A 95 50.925 2.452 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 95 50.791 1.469 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 95 48.254 1.347 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 95 49.182 1.010 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.969 3.112 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.518 3.904 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 95 49.276 3.734 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.569 -1.060 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 95 50.335 -0.843 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.392 -0.501 0.397 1.00 0.00 H new ATOM 172 N VAL A 96 52.253 4.366 -1.722 1.00 0.00 N ATOM 173 CA VAL A 96 53.149 5.450 -1.346 1.00 0.00 C ATOM 174 C VAL A 96 52.414 6.489 -0.507 1.00 0.00 C ATOM 175 O VAL A 96 51.255 6.807 -0.773 1.00 0.00 O ATOM 176 CB VAL A 96 53.752 6.135 -2.587 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.910 7.035 -2.191 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.201 5.100 -3.606 1.00 0.00 C ATOM 0 H VAL A 96 51.506 4.640 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 96 53.957 5.013 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 96 52.980 6.753 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.323 7.510 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.556 7.802 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.684 6.440 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.624 5.604 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.956 4.453 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.346 4.499 -3.916 1.00 0.00 H new ATOM 188 N GLY A 97 53.094 7.025 0.502 1.00 0.00 N ATOM 189 CA GLY A 97 52.487 8.032 1.354 1.00 0.00 C ATOM 190 C GLY A 97 53.513 8.990 1.925 1.00 0.00 C ATOM 191 O GLY A 97 54.687 8.645 2.048 1.00 0.00 O ATOM 0 H GLY A 97 54.054 6.780 0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.748 8.592 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.955 7.543 2.170 1.00 0.00 H new ATOM 195 N THR A 98 53.076 10.188 2.291 1.00 0.00 N ATOM 196 CA THR A 98 53.982 11.175 2.868 1.00 0.00 C ATOM 197 C THR A 98 54.491 10.687 4.221 1.00 0.00 C ATOM 198 O THR A 98 53.754 10.049 4.972 1.00 0.00 O ATOM 199 CB THR A 98 53.284 12.528 3.023 1.00 0.00 C ATOM 200 OG1 THR A 98 52.461 12.540 4.175 1.00 0.00 O ATOM 201 CG2 THR A 98 52.417 12.898 1.837 1.00 0.00 C ATOM 0 H THR A 98 52.109 10.499 2.200 1.00 0.00 H new ATOM 0 HA THR A 98 54.829 11.303 2.193 1.00 0.00 H new ATOM 0 HB THR A 98 54.090 13.258 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 98 52.025 13.414 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 98 51.953 13.868 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.032 12.949 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.642 12.144 1.704 1.00 0.00 H new ATOM 209 N ARG A 99 55.757 10.965 4.520 1.00 0.00 N ATOM 210 CA ARG A 99 56.371 10.532 5.774 1.00 0.00 C ATOM 211 C ARG A 99 55.461 10.765 6.984 1.00 0.00 C ATOM 212 O ARG A 99 55.468 9.979 7.932 1.00 0.00 O ATOM 213 CB ARG A 99 57.715 11.245 5.973 1.00 0.00 C ATOM 214 CG ARG A 99 57.594 12.722 6.320 1.00 0.00 C ATOM 215 CD ARG A 99 57.510 13.582 5.070 1.00 0.00 C ATOM 216 NE ARG A 99 56.148 14.038 4.811 1.00 0.00 N ATOM 217 CZ ARG A 99 55.472 14.852 5.619 1.00 0.00 C ATOM 218 NH1 ARG A 99 56.030 15.307 6.734 1.00 0.00 N ATOM 219 NH2 ARG A 99 54.234 15.215 5.311 1.00 0.00 N ATOM 0 H ARG A 99 56.381 11.491 3.908 1.00 0.00 H new ATOM 0 HA ARG A 99 56.534 9.457 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 99 58.266 10.741 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.305 11.145 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 99 56.707 12.881 6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.453 13.028 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 99 58.167 14.445 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 99 57.871 13.013 4.213 1.00 0.00 H new ATOM 0 HE ARG A 99 55.687 13.714 3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 99 56.982 15.033 6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 99 55.507 15.930 7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 99 53.800 14.870 4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 99 53.716 15.839 5.930 1.00 0.00 H new ATOM 233 N GLU A 100 54.689 11.848 6.960 1.00 0.00 N ATOM 234 CA GLU A 100 53.796 12.173 8.072 1.00 0.00 C ATOM 235 C GLU A 100 52.566 11.264 8.113 1.00 0.00 C ATOM 236 O GLU A 100 51.720 11.400 8.997 1.00 0.00 O ATOM 237 CB GLU A 100 53.351 13.633 7.984 1.00 0.00 C ATOM 238 CG GLU A 100 52.826 14.188 9.299 1.00 0.00 C ATOM 239 CD GLU A 100 53.938 14.552 10.264 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.680 13.640 10.684 1.00 0.00 O ATOM 241 OE2 GLU A 100 54.066 15.748 10.598 1.00 0.00 O ATOM 0 H GLU A 100 54.662 12.514 6.187 1.00 0.00 H new ATOM 0 HA GLU A 100 54.359 12.012 8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 100 54.192 14.241 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.574 13.722 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 100 52.219 15.071 9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 100 52.172 13.451 9.765 1.00 0.00 H new ATOM 248 N ALA A 101 52.464 10.342 7.162 1.00 0.00 N ATOM 249 CA ALA A 101 51.329 9.428 7.110 1.00 0.00 C ATOM 250 C ALA A 101 51.773 7.967 7.188 1.00 0.00 C ATOM 251 O ALA A 101 50.971 7.085 7.495 1.00 0.00 O ATOM 252 CB ALA A 101 50.520 9.667 5.844 1.00 0.00 C ATOM 0 H ALA A 101 53.150 10.208 6.420 1.00 0.00 H new ATOM 0 HA ALA A 101 50.703 9.628 7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.675 8.979 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.152 10.693 5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.152 9.501 4.972 1.00 0.00 H new ATOM 258 N PHE A 102 53.047 7.712 6.901 1.00 0.00 N ATOM 259 CA PHE A 102 53.577 6.353 6.932 1.00 0.00 C ATOM 260 C PHE A 102 54.166 6.010 8.298 1.00 0.00 C ATOM 261 O PHE A 102 54.466 6.893 9.101 1.00 0.00 O ATOM 262 CB PHE A 102 54.643 6.179 5.849 1.00 0.00 C ATOM 263 CG PHE A 102 54.156 5.420 4.647 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.739 4.214 4.291 1.00 0.00 C ATOM 265 CD2 PHE A 102 53.118 5.912 3.873 1.00 0.00 C ATOM 266 CE1 PHE A 102 54.295 3.512 3.187 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.669 5.215 2.767 1.00 0.00 C ATOM 268 CZ PHE A 102 53.259 4.014 2.423 1.00 0.00 C ATOM 0 H PHE A 102 53.729 8.426 6.645 1.00 0.00 H new ATOM 0 HA PHE A 102 52.749 5.670 6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.992 7.162 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.501 5.659 6.275 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.550 3.818 4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.654 6.851 4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.757 2.573 2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 102 51.858 5.609 2.172 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.911 3.468 1.558 1.00 0.00 H new ATOM 278 N PHE A 103 54.317 4.710 8.550 1.00 0.00 N ATOM 279 CA PHE A 103 54.859 4.216 9.815 1.00 0.00 C ATOM 280 C PHE A 103 56.091 5.015 10.238 1.00 0.00 C ATOM 281 O PHE A 103 57.201 4.762 9.776 1.00 0.00 O ATOM 282 CB PHE A 103 55.215 2.731 9.679 1.00 0.00 C ATOM 283 CG PHE A 103 55.406 2.015 10.989 1.00 0.00 C ATOM 284 CD1 PHE A 103 56.297 0.956 11.084 1.00 0.00 C ATOM 285 CD2 PHE A 103 54.697 2.391 12.121 1.00 0.00 C ATOM 286 CE1 PHE A 103 56.478 0.288 12.281 1.00 0.00 C ATOM 287 CE2 PHE A 103 54.875 1.726 13.320 1.00 0.00 C ATOM 288 CZ PHE A 103 55.766 0.674 13.400 1.00 0.00 C ATOM 0 H PHE A 103 54.069 3.975 7.888 1.00 0.00 H new ATOM 0 HA PHE A 103 54.098 4.339 10.586 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.426 2.231 9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 103 56.130 2.641 9.093 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.856 0.650 10.212 1.00 0.00 H new ATOM 0 HD2 PHE A 103 53.998 3.212 12.065 1.00 0.00 H new ATOM 0 HE1 PHE A 103 57.175 -0.535 12.341 1.00 0.00 H new ATOM 0 HE2 PHE A 103 54.317 2.029 14.194 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.906 0.154 14.336 1.00 0.00 H new ATOM 298 N SER A 104 55.875 5.990 11.117 1.00 0.00 N ATOM 299 CA SER A 104 56.951 6.849 11.608 1.00 0.00 C ATOM 300 C SER A 104 58.174 6.044 12.045 1.00 0.00 C ATOM 301 O SER A 104 59.301 6.534 11.985 1.00 0.00 O ATOM 302 CB SER A 104 56.451 7.700 12.777 1.00 0.00 C ATOM 303 OG SER A 104 57.362 8.743 13.076 1.00 0.00 O ATOM 0 H SER A 104 54.958 6.207 11.507 1.00 0.00 H new ATOM 0 HA SER A 104 57.254 7.494 10.783 1.00 0.00 H new ATOM 0 HB2 SER A 104 55.477 8.123 12.532 1.00 0.00 H new ATOM 0 HB3 SER A 104 56.313 7.070 13.656 1.00 0.00 H new ATOM 0 HG SER A 104 57.018 9.273 13.825 1.00 0.00 H new ATOM 309 N LYS A 105 57.948 4.813 12.490 1.00 0.00 N ATOM 310 CA LYS A 105 59.038 3.953 12.942 1.00 0.00 C ATOM 311 C LYS A 105 60.117 3.817 11.869 1.00 0.00 C ATOM 312 O LYS A 105 61.272 4.183 12.087 1.00 0.00 O ATOM 313 CB LYS A 105 58.499 2.574 13.324 1.00 0.00 C ATOM 314 CG LYS A 105 58.253 2.411 14.815 1.00 0.00 C ATOM 315 CD LYS A 105 59.556 2.243 15.582 1.00 0.00 C ATOM 316 CE LYS A 105 59.898 3.490 16.382 1.00 0.00 C ATOM 317 NZ LYS A 105 58.761 3.930 17.236 1.00 0.00 N ATOM 0 H LYS A 105 57.023 4.388 12.548 1.00 0.00 H new ATOM 0 HA LYS A 105 59.490 4.416 13.819 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.567 2.396 12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 105 59.206 1.812 12.995 1.00 0.00 H new ATOM 0 HG2 LYS A 105 57.717 3.281 15.193 1.00 0.00 H new ATOM 0 HG3 LYS A 105 57.615 1.544 14.987 1.00 0.00 H new ATOM 0 HD2 LYS A 105 59.476 1.389 16.255 1.00 0.00 H new ATOM 0 HD3 LYS A 105 60.364 2.024 14.884 1.00 0.00 H new ATOM 0 HE2 LYS A 105 60.768 3.292 17.009 1.00 0.00 H new ATOM 0 HE3 LYS A 105 60.173 4.295 15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 59.128 4.325 18.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 58.211 4.657 16.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 58.149 3.116 17.445 1.00 0.00 H new ATOM 331 N THR A 106 59.733 3.290 10.711 1.00 0.00 N ATOM 332 CA THR A 106 60.669 3.107 9.606 1.00 0.00 C ATOM 333 C THR A 106 60.223 3.896 8.378 1.00 0.00 C ATOM 334 O THR A 106 61.045 4.478 7.670 1.00 0.00 O ATOM 335 CB THR A 106 60.794 1.623 9.259 1.00 0.00 C ATOM 336 OG1 THR A 106 59.527 0.989 9.304 1.00 0.00 O ATOM 337 CG2 THR A 106 61.719 0.868 10.189 1.00 0.00 C ATOM 0 H THR A 106 58.781 2.982 10.513 1.00 0.00 H new ATOM 0 HA THR A 106 61.643 3.482 9.920 1.00 0.00 H new ATOM 0 HB THR A 106 61.214 1.595 8.253 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.627 0.041 9.078 1.00 0.00 H new ATOM 0 HG21 THR A 106 61.763 -0.179 9.888 1.00 0.00 H new ATOM 0 HG22 THR A 106 62.718 1.302 10.140 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.343 0.936 11.210 1.00 0.00 H new ATOM 345 N LYS A 107 58.912 3.907 8.136 1.00 0.00 N ATOM 346 CA LYS A 107 58.327 4.620 6.999 1.00 0.00 C ATOM 347 C LYS A 107 58.426 3.805 5.708 1.00 0.00 C ATOM 348 O LYS A 107 57.764 4.120 4.720 1.00 0.00 O ATOM 349 CB LYS A 107 58.987 5.992 6.809 1.00 0.00 C ATOM 350 CG LYS A 107 57.990 7.135 6.718 1.00 0.00 C ATOM 351 CD LYS A 107 57.452 7.518 8.089 1.00 0.00 C ATOM 352 CE LYS A 107 58.082 8.805 8.596 1.00 0.00 C ATOM 353 NZ LYS A 107 59.557 8.821 8.389 1.00 0.00 N ATOM 0 H LYS A 107 58.228 3.425 8.719 1.00 0.00 H new ATOM 0 HA LYS A 107 57.271 4.768 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.667 6.178 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 107 59.591 5.974 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 107 58.468 8.000 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 107 57.163 6.847 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 107 56.370 7.638 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.649 6.712 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 107 57.634 9.655 8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.863 8.923 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 59.972 9.621 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.966 7.931 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 59.764 8.923 7.375 1.00 0.00 H new ATOM 367 N ARG A 108 59.247 2.757 5.717 1.00 0.00 N ATOM 368 CA ARG A 108 59.409 1.913 4.541 1.00 0.00 C ATOM 369 C ARG A 108 58.101 1.207 4.205 1.00 0.00 C ATOM 370 O ARG A 108 57.739 1.076 3.037 1.00 0.00 O ATOM 371 CB ARG A 108 60.522 0.890 4.769 1.00 0.00 C ATOM 372 CG ARG A 108 61.911 1.507 4.801 1.00 0.00 C ATOM 373 CD ARG A 108 62.883 0.657 5.602 1.00 0.00 C ATOM 374 NE ARG A 108 63.121 -0.639 4.971 1.00 0.00 N ATOM 375 CZ ARG A 108 64.247 -1.338 5.107 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.234 -0.883 5.868 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.383 -2.500 4.483 1.00 0.00 N ATOM 0 H ARG A 108 59.806 2.475 6.522 1.00 0.00 H new ATOM 0 HA ARG A 108 59.686 2.546 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.341 0.371 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.484 0.140 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.282 1.623 3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.856 2.505 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.829 1.189 5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 108 62.489 0.505 6.607 1.00 0.00 H new ATOM 0 HE ARG A 108 62.380 -1.033 4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.134 0.008 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 108 66.093 -1.424 5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.626 -2.857 3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 108 65.244 -3.036 4.586 1.00 0.00 H new ATOM 391 N PHE A 109 57.389 0.766 5.238 1.00 0.00 N ATOM 392 CA PHE A 109 56.111 0.086 5.051 1.00 0.00 C ATOM 393 C PHE A 109 54.968 0.948 5.579 1.00 0.00 C ATOM 394 O PHE A 109 55.167 1.789 6.455 1.00 0.00 O ATOM 395 CB PHE A 109 56.109 -1.272 5.753 1.00 0.00 C ATOM 396 CG PHE A 109 57.387 -2.042 5.586 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.126 -2.422 6.694 1.00 0.00 C ATOM 398 CD2 PHE A 109 57.849 -2.391 4.325 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.299 -3.136 6.550 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.021 -3.101 4.176 1.00 0.00 C ATOM 401 CZ PHE A 109 59.747 -3.474 5.288 1.00 0.00 C ATOM 0 H PHE A 109 57.675 0.867 6.212 1.00 0.00 H new ATOM 0 HA PHE A 109 55.968 -0.077 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 109 55.923 -1.121 6.816 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.283 -1.869 5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 109 57.781 -2.157 7.682 1.00 0.00 H new ATOM 0 HD2 PHE A 109 57.284 -2.103 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 109 59.865 -3.429 7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 109 59.371 -3.365 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.665 -4.030 5.172 1.00 0.00 H new ATOM 411 N CYS A 110 53.779 0.753 5.022 1.00 0.00 N ATOM 412 CA CYS A 110 52.602 1.524 5.406 1.00 0.00 C ATOM 413 C CYS A 110 52.122 1.212 6.826 1.00 0.00 C ATOM 414 O CYS A 110 51.222 1.881 7.334 1.00 0.00 O ATOM 415 CB CYS A 110 51.472 1.248 4.411 1.00 0.00 C ATOM 416 SG CYS A 110 51.102 -0.510 4.184 1.00 0.00 S ATOM 0 H CYS A 110 53.603 0.060 4.295 1.00 0.00 H new ATOM 0 HA CYS A 110 52.884 2.577 5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.570 1.757 4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.738 1.680 3.446 1.00 0.00 H new ATOM 421 N SER A 111 52.703 0.201 7.468 1.00 0.00 N ATOM 422 CA SER A 111 52.288 -0.159 8.822 1.00 0.00 C ATOM 423 C SER A 111 53.292 -1.086 9.498 1.00 0.00 C ATOM 424 O SER A 111 54.188 -1.630 8.853 1.00 0.00 O ATOM 425 CB SER A 111 50.915 -0.832 8.787 1.00 0.00 C ATOM 426 OG SER A 111 51.034 -2.224 8.540 1.00 0.00 O ATOM 0 H SER A 111 53.450 -0.375 7.081 1.00 0.00 H new ATOM 0 HA SER A 111 52.236 0.762 9.403 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.403 -0.670 9.736 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.301 -0.373 8.012 1.00 0.00 H new ATOM 0 HG SER A 111 50.143 -2.631 8.524 1.00 0.00 H new ATOM 432 N VAL A 112 53.121 -1.272 10.806 1.00 0.00 N ATOM 433 CA VAL A 112 53.996 -2.145 11.576 1.00 0.00 C ATOM 434 C VAL A 112 53.788 -3.597 11.163 1.00 0.00 C ATOM 435 O VAL A 112 54.747 -4.346 10.981 1.00 0.00 O ATOM 436 CB VAL A 112 53.746 -2.005 13.091 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.316 -2.391 13.440 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.741 -2.846 13.878 1.00 0.00 C ATOM 0 H VAL A 112 52.383 -0.828 11.352 1.00 0.00 H new ATOM 0 HA VAL A 112 55.023 -1.845 11.367 1.00 0.00 H new ATOM 0 HB VAL A 112 53.890 -0.960 13.366 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.162 -2.285 14.514 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.623 -1.739 12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.137 -3.426 13.149 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.548 -2.734 14.945 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.633 -3.894 13.598 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.755 -2.513 13.655 1.00 0.00 H new ATOM 448 N SER A 113 52.524 -3.981 10.999 1.00 0.00 N ATOM 449 CA SER A 113 52.186 -5.337 10.586 1.00 0.00 C ATOM 450 C SER A 113 52.858 -5.654 9.257 1.00 0.00 C ATOM 451 O SER A 113 53.379 -6.751 9.053 1.00 0.00 O ATOM 452 CB SER A 113 50.669 -5.493 10.459 1.00 0.00 C ATOM 453 OG SER A 113 50.308 -6.850 10.273 1.00 0.00 O ATOM 0 H SER A 113 51.719 -3.372 11.146 1.00 0.00 H new ATOM 0 HA SER A 113 52.544 -6.035 11.343 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.184 -5.104 11.355 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.309 -4.900 9.619 1.00 0.00 H new ATOM 0 HG SER A 113 49.334 -6.922 10.196 1.00 0.00 H new ATOM 459 N CYS A 114 52.855 -4.669 8.364 1.00 0.00 N ATOM 460 CA CYS A 114 53.477 -4.814 7.054 1.00 0.00 C ATOM 461 C CYS A 114 54.987 -5.008 7.195 1.00 0.00 C ATOM 462 O CYS A 114 55.650 -5.501 6.280 1.00 0.00 O ATOM 463 CB CYS A 114 53.185 -3.576 6.204 1.00 0.00 C ATOM 464 SG CYS A 114 53.191 -3.878 4.422 1.00 0.00 S ATOM 0 H CYS A 114 52.426 -3.758 8.526 1.00 0.00 H new ATOM 0 HA CYS A 114 53.061 -5.694 6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 114 52.212 -3.175 6.489 1.00 0.00 H new ATOM 0 HB3 CYS A 114 53.925 -2.810 6.433 1.00 0.00 H new ATOM 469 N SER A 115 55.519 -4.629 8.355 1.00 0.00 N ATOM 470 CA SER A 115 56.944 -4.767 8.630 1.00 0.00 C ATOM 471 C SER A 115 57.258 -6.171 9.130 1.00 0.00 C ATOM 472 O SER A 115 58.201 -6.814 8.662 1.00 0.00 O ATOM 473 CB SER A 115 57.392 -3.728 9.662 1.00 0.00 C ATOM 474 OG SER A 115 57.228 -4.213 10.985 1.00 0.00 O ATOM 0 H SER A 115 54.981 -4.223 9.121 1.00 0.00 H new ATOM 0 HA SER A 115 57.490 -4.597 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 115 58.438 -3.472 9.493 1.00 0.00 H new ATOM 0 HB3 SER A 115 56.815 -2.812 9.534 1.00 0.00 H new ATOM 0 HG SER A 115 56.297 -4.092 11.265 1.00 0.00 H new ATOM 480 N ARG A 116 56.439 -6.661 10.056 1.00 0.00 N ATOM 481 CA ARG A 116 56.616 -8.003 10.589 1.00 0.00 C ATOM 482 C ARG A 116 56.170 -9.032 9.558 1.00 0.00 C ATOM 483 O ARG A 116 56.566 -10.196 9.614 1.00 0.00 O ATOM 484 CB ARG A 116 55.830 -8.179 11.891 1.00 0.00 C ATOM 485 CG ARG A 116 54.386 -7.710 11.805 1.00 0.00 C ATOM 486 CD ARG A 116 53.623 -8.028 13.081 1.00 0.00 C ATOM 487 NE ARG A 116 53.939 -7.090 14.155 1.00 0.00 N ATOM 488 CZ ARG A 116 53.608 -7.283 15.429 1.00 0.00 C ATOM 489 NH1 ARG A 116 52.952 -8.379 15.792 1.00 0.00 N ATOM 490 NH2 ARG A 116 53.934 -6.380 16.344 1.00 0.00 N ATOM 0 H ARG A 116 55.650 -6.149 10.450 1.00 0.00 H new ATOM 0 HA ARG A 116 57.673 -8.153 10.809 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.844 -9.232 12.173 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.334 -7.629 12.686 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.361 -6.636 11.622 1.00 0.00 H new ATOM 0 HG3 ARG A 116 53.896 -8.189 10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 116 52.552 -8.001 12.879 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.861 -9.042 13.403 1.00 0.00 H new ATOM 0 HE ARG A 116 54.443 -6.237 13.914 1.00 0.00 H new ATOM 0 HH11 ARG A 116 52.700 -9.077 15.093 1.00 0.00 H new ATOM 0 HH12 ARG A 116 52.700 -8.522 16.770 1.00 0.00 H new ATOM 0 HH21 ARG A 116 54.439 -5.537 16.071 1.00 0.00 H new ATOM 0 HH22 ARG A 116 53.680 -6.529 17.321 1.00 0.00 H new ATOM 504 N SER A 117 55.358 -8.585 8.602 1.00 0.00 N ATOM 505 CA SER A 117 54.879 -9.454 7.541 1.00 0.00 C ATOM 506 C SER A 117 55.950 -9.587 6.468 1.00 0.00 C ATOM 507 O SER A 117 56.352 -10.693 6.113 1.00 0.00 O ATOM 508 CB SER A 117 53.587 -8.902 6.934 1.00 0.00 C ATOM 509 OG SER A 117 52.851 -9.923 6.284 1.00 0.00 O ATOM 0 H SER A 117 55.020 -7.624 8.545 1.00 0.00 H new ATOM 0 HA SER A 117 54.665 -10.437 7.960 1.00 0.00 H new ATOM 0 HB2 SER A 117 52.977 -8.452 7.717 1.00 0.00 H new ATOM 0 HB3 SER A 117 53.825 -8.112 6.222 1.00 0.00 H new ATOM 0 HG SER A 117 53.331 -10.774 6.364 1.00 0.00 H new ATOM 515 N TYR A 118 56.419 -8.448 5.963 1.00 0.00 N ATOM 516 CA TYR A 118 57.457 -8.424 4.939 1.00 0.00 C ATOM 517 C TYR A 118 58.782 -8.943 5.491 1.00 0.00 C ATOM 518 O TYR A 118 59.647 -9.392 4.740 1.00 0.00 O ATOM 519 CB TYR A 118 57.641 -6.991 4.444 1.00 0.00 C ATOM 520 CG TYR A 118 58.419 -6.868 3.157 1.00 0.00 C ATOM 521 CD1 TYR A 118 59.467 -5.969 3.057 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.095 -7.628 2.041 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.176 -5.824 1.885 1.00 0.00 C ATOM 524 CE2 TYR A 118 58.804 -7.495 0.861 1.00 0.00 C ATOM 525 CZ TYR A 118 59.844 -6.590 0.788 1.00 0.00 C ATOM 526 OH TYR A 118 60.550 -6.450 -0.385 1.00 0.00 O ATOM 0 H TYR A 118 56.093 -7.525 6.250 1.00 0.00 H new ATOM 0 HA TYR A 118 57.149 -9.070 4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 118 56.659 -6.539 4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 118 58.149 -6.415 5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 118 59.734 -5.370 3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.278 -8.333 2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 118 60.988 -5.114 1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.546 -8.096 0.002 1.00 0.00 H new ATOM 0 HH TYR A 118 60.190 -7.063 -1.059 1.00 0.00 H new ATOM 536 N SER A 119 58.929 -8.883 6.811 1.00 0.00 N ATOM 537 CA SER A 119 60.143 -9.354 7.463 1.00 0.00 C ATOM 538 C SER A 119 60.043 -10.840 7.792 1.00 0.00 C ATOM 539 O SER A 119 60.955 -11.616 7.508 1.00 0.00 O ATOM 540 CB SER A 119 60.407 -8.548 8.734 1.00 0.00 C ATOM 541 OG SER A 119 61.550 -9.031 9.417 1.00 0.00 O ATOM 0 H SER A 119 58.223 -8.513 7.448 1.00 0.00 H new ATOM 0 HA SER A 119 60.976 -9.212 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 119 60.549 -7.498 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.538 -8.602 9.390 1.00 0.00 H new ATOM 0 HG SER A 119 61.698 -8.497 10.226 1.00 0.00 H new ATOM 547 N SER A 120 58.929 -11.219 8.406 1.00 0.00 N ATOM 548 CA SER A 120 58.695 -12.606 8.798 1.00 0.00 C ATOM 549 C SER A 120 58.198 -13.460 7.629 1.00 0.00 C ATOM 550 O SER A 120 57.903 -14.643 7.805 1.00 0.00 O ATOM 551 CB SER A 120 57.687 -12.664 9.947 1.00 0.00 C ATOM 552 OG SER A 120 58.019 -11.735 10.964 1.00 0.00 O ATOM 0 H SER A 120 58.169 -10.582 8.645 1.00 0.00 H new ATOM 0 HA SER A 120 59.651 -13.017 9.124 1.00 0.00 H new ATOM 0 HB2 SER A 120 56.687 -12.452 9.569 1.00 0.00 H new ATOM 0 HB3 SER A 120 57.663 -13.671 10.364 1.00 0.00 H new ATOM 0 HG SER A 120 57.735 -10.837 10.692 1.00 0.00 H new ATOM 558 N ASN A 121 58.105 -12.869 6.440 1.00 0.00 N ATOM 559 CA ASN A 121 57.641 -13.606 5.266 1.00 0.00 C ATOM 560 C ASN A 121 58.435 -13.241 4.008 1.00 0.00 C ATOM 561 O ASN A 121 58.175 -13.777 2.931 1.00 0.00 O ATOM 562 CB ASN A 121 56.150 -13.354 5.032 1.00 0.00 C ATOM 563 CG ASN A 121 55.318 -13.623 6.272 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.643 -12.592 6.768 1.00 0.00 O flip ATOM 565 ND2 ASN A 121 55.280 -14.745 6.777 1.00 0.00 N flip ATOM 0 H ASN A 121 58.342 -11.893 6.264 1.00 0.00 H new ATOM 0 HA ASN A 121 57.803 -14.665 5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 121 56.004 -12.321 4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 121 55.800 -13.989 4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 121 55.814 -15.509 6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.714 -14.911 7.609 1.00 0.00 H new ATOM 572 N SER A 122 59.402 -12.334 4.141 1.00 0.00 N ATOM 573 CA SER A 122 60.215 -11.920 3.002 1.00 0.00 C ATOM 574 C SER A 122 61.652 -11.632 3.428 1.00 0.00 C ATOM 575 O SER A 122 61.916 -11.319 4.589 1.00 0.00 O ATOM 576 CB SER A 122 59.609 -10.683 2.336 1.00 0.00 C ATOM 577 OG SER A 122 59.598 -10.816 0.925 1.00 0.00 O ATOM 0 H SER A 122 59.639 -11.875 5.021 1.00 0.00 H new ATOM 0 HA SER A 122 60.228 -12.740 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 122 58.592 -10.533 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 122 60.181 -9.798 2.616 1.00 0.00 H new ATOM 0 HG SER A 122 59.378 -9.953 0.517 1.00 0.00 H new ATOM 583 N LYS A 123 62.575 -11.742 2.477 1.00 0.00 N ATOM 584 CA LYS A 123 63.987 -11.493 2.748 1.00 0.00 C ATOM 585 C LYS A 123 64.732 -11.129 1.467 1.00 0.00 C ATOM 586 O LYS A 123 64.412 -11.628 0.388 1.00 0.00 O ATOM 587 CB LYS A 123 64.629 -12.723 3.393 1.00 0.00 C ATOM 588 CG LYS A 123 65.540 -12.389 4.565 1.00 0.00 C ATOM 589 CD LYS A 123 64.918 -12.793 5.894 1.00 0.00 C ATOM 590 CE LYS A 123 65.719 -13.891 6.575 1.00 0.00 C ATOM 591 NZ LYS A 123 65.365 -14.025 8.015 1.00 0.00 N ATOM 0 H LYS A 123 62.370 -12.002 1.512 1.00 0.00 H new ATOM 0 HA LYS A 123 64.055 -10.652 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 123 63.843 -13.396 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 123 65.203 -13.261 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 123 66.495 -12.899 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 123 65.748 -11.319 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 123 64.861 -11.924 6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 123 63.896 -13.136 5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 123 65.540 -14.839 6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 123 66.783 -13.675 6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 65.933 -14.784 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 65.559 -13.129 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 64.355 -14.256 8.104 1.00 0.00 H new ATOM 605 N LYS A 124 65.726 -10.257 1.594 1.00 0.00 N ATOM 606 CA LYS A 124 66.516 -9.828 0.445 1.00 0.00 C ATOM 607 C LYS A 124 67.929 -9.440 0.867 1.00 0.00 C ATOM 608 O LYS A 124 68.066 -8.680 1.849 1.00 0.00 O ATOM 609 CB LYS A 124 65.837 -8.649 -0.255 1.00 0.00 C ATOM 610 CG LYS A 124 65.919 -8.714 -1.771 1.00 0.00 C ATOM 611 CD LYS A 124 64.990 -9.778 -2.335 1.00 0.00 C ATOM 612 CE LYS A 124 64.243 -9.273 -3.559 1.00 0.00 C ATOM 613 NZ LYS A 124 65.167 -8.956 -4.684 1.00 0.00 N ATOM 614 OXT LYS A 124 68.888 -9.900 0.213 1.00 0.00 O ATOM 0 H LYS A 124 66.004 -9.834 2.479 1.00 0.00 H new ATOM 0 HA LYS A 124 66.583 -10.665 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 124 64.789 -8.615 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 124 66.296 -7.721 0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 124 65.660 -7.743 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 124 66.944 -8.928 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 124 65.568 -10.664 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 124 64.275 -10.081 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 124 63.524 -10.026 -3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 124 63.674 -8.382 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 64.614 -8.664 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 65.804 -8.184 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 65.728 -9.799 -4.920 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 52.367 -2.144 3.039 1.00 0.00 ZN