USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 96 THR OG1 : rot -32:sc= 0.0318! USER MOD Single : A 98 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.2) USER MOD Single : A 99 SER OG : rot 180:sc= -0.086 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 9.312 18.962 -20.374 1.00 22.25 N ATOM 2 CA CYS A 93 9.330 19.480 -19.011 1.00 23.52 C ATOM 3 C CYS A 93 10.743 19.892 -18.605 1.00 34.22 C ATOM 4 O CYS A 93 11.634 20.005 -19.446 1.00 42.22 O ATOM 5 CB CYS A 93 8.795 18.429 -18.036 1.00 21.01 C ATOM 6 SG CYS A 93 7.536 17.324 -18.753 1.00 61.14 S ATOM 0 HA CYS A 93 8.688 20.360 -18.975 1.00 23.52 H new ATOM 0 HB2 CYS A 93 9.628 17.827 -17.674 1.00 21.01 H new ATOM 0 HB3 CYS A 93 8.368 18.936 -17.170 1.00 21.01 H new ATOM 11 N VAL A 94 10.938 20.116 -17.309 1.00 24.40 N ATOM 12 CA VAL A 94 12.242 20.514 -16.790 1.00 51.52 C ATOM 13 C VAL A 94 13.311 19.487 -17.144 1.00 2.01 C ATOM 14 O VAL A 94 13.139 18.292 -16.910 1.00 62.34 O ATOM 15 CB VAL A 94 12.205 20.696 -15.261 1.00 63.13 C ATOM 16 CG1 VAL A 94 13.576 20.428 -14.660 1.00 5.13 C ATOM 17 CG2 VAL A 94 11.720 22.092 -14.903 1.00 51.10 C ATOM 0 H VAL A 94 10.210 20.029 -16.600 1.00 24.40 H new ATOM 0 HA VAL A 94 12.491 21.467 -17.256 1.00 51.52 H new ATOM 0 HB VAL A 94 11.503 19.975 -14.842 1.00 63.13 H new ATOM 0 HG11 VAL A 94 13.532 20.561 -13.579 1.00 5.13 H new ATOM 0 HG12 VAL A 94 13.880 19.406 -14.888 1.00 5.13 H new ATOM 0 HG13 VAL A 94 14.301 21.124 -15.082 1.00 5.13 H new ATOM 0 HG21 VAL A 94 11.700 22.203 -13.819 1.00 51.10 H new ATOM 0 HG22 VAL A 94 12.395 22.833 -15.331 1.00 51.10 H new ATOM 0 HG23 VAL A 94 10.717 22.242 -15.302 1.00 51.10 H new ATOM 27 N ALA A 95 14.416 19.963 -17.709 1.00 65.23 N ATOM 28 CA ALA A 95 15.516 19.086 -18.093 1.00 21.31 C ATOM 29 C ALA A 95 16.299 18.620 -16.870 1.00 51.33 C ATOM 30 O ALA A 95 16.295 17.436 -16.530 1.00 75.04 O ATOM 31 CB ALA A 95 16.438 19.794 -19.075 1.00 11.24 C ATOM 0 H ALA A 95 14.573 20.950 -17.911 1.00 65.23 H new ATOM 0 HA ALA A 95 15.094 18.206 -18.578 1.00 21.31 H new ATOM 0 HB1 ALA A 95 17.254 19.127 -19.353 1.00 11.24 H new ATOM 0 HB2 ALA A 95 15.876 20.071 -19.967 1.00 11.24 H new ATOM 0 HB3 ALA A 95 16.845 20.692 -18.610 1.00 11.24 H new ATOM 37 N THR A 96 16.972 19.558 -16.212 1.00 4.22 N ATOM 38 CA THR A 96 17.762 19.243 -15.028 1.00 53.31 C ATOM 39 C THR A 96 18.088 20.503 -14.233 1.00 43.35 C ATOM 40 O THR A 96 18.280 21.576 -14.805 1.00 74.31 O ATOM 41 CB THR A 96 19.075 18.531 -15.401 1.00 44.25 C ATOM 42 OG1 THR A 96 18.831 17.553 -16.419 1.00 73.32 O ATOM 43 CG2 THR A 96 19.693 17.860 -14.184 1.00 3.10 C ATOM 0 H THR A 96 16.986 20.542 -16.479 1.00 4.22 H new ATOM 0 HA THR A 96 17.158 18.575 -14.414 1.00 53.31 H new ATOM 0 HB THR A 96 19.773 19.279 -15.776 1.00 44.25 H new ATOM 0 HG1 THR A 96 17.933 17.178 -16.304 1.00 73.32 H new ATOM 0 HG21 THR A 96 20.619 17.364 -14.473 1.00 3.10 H new ATOM 0 HG22 THR A 96 19.906 18.611 -13.423 1.00 3.10 H new ATOM 0 HG23 THR A 96 18.997 17.123 -13.782 1.00 3.10 H new ATOM 51 N ARG A 97 18.151 20.365 -12.913 1.00 72.13 N ATOM 52 CA ARG A 97 18.454 21.492 -12.041 1.00 33.11 C ATOM 53 C ARG A 97 17.772 22.764 -12.539 1.00 25.12 C ATOM 54 O ARG A 97 18.360 23.843 -12.518 1.00 0.52 O ATOM 55 CB ARG A 97 19.966 21.710 -11.960 1.00 32.44 C ATOM 56 CG ARG A 97 20.579 22.212 -13.255 1.00 44.45 C ATOM 57 CD ARG A 97 21.111 21.065 -14.101 1.00 43.54 C ATOM 58 NE ARG A 97 22.487 21.297 -14.533 1.00 62.34 N ATOM 59 CZ ARG A 97 23.238 20.371 -15.120 1.00 61.13 C ATOM 60 NH1 ARG A 97 22.749 19.160 -15.345 1.00 31.02 N ATOM 61 NH2 ARG A 97 24.482 20.657 -15.484 1.00 41.43 N ATOM 0 H ARG A 97 17.996 19.483 -12.424 1.00 72.13 H new ATOM 0 HA ARG A 97 18.073 21.261 -11.046 1.00 33.11 H new ATOM 0 HB2 ARG A 97 20.179 22.425 -11.166 1.00 32.44 H new ATOM 0 HB3 ARG A 97 20.445 20.772 -11.681 1.00 32.44 H new ATOM 0 HG2 ARG A 97 19.831 22.767 -13.822 1.00 44.45 H new ATOM 0 HG3 ARG A 97 21.389 22.906 -13.030 1.00 44.45 H new ATOM 0 HD2 ARG A 97 21.062 20.139 -13.528 1.00 43.54 H new ATOM 0 HD3 ARG A 97 20.474 20.933 -14.975 1.00 43.54 H new ATOM 0 HE ARG A 97 22.893 22.219 -14.376 1.00 62.34 H new ATOM 0 HH11 ARG A 97 21.793 18.936 -15.067 1.00 31.02 H new ATOM 0 HH12 ARG A 97 23.328 18.452 -15.796 1.00 31.02 H new ATOM 0 HH21 ARG A 97 24.862 21.588 -15.313 1.00 41.43 H new ATOM 0 HH22 ARG A 97 25.058 19.946 -15.934 1.00 41.43 H new ATOM 75 N ASN A 98 16.528 22.626 -12.986 1.00 21.53 N ATOM 76 CA ASN A 98 15.767 23.762 -13.491 1.00 1.13 C ATOM 77 C ASN A 98 14.695 24.186 -12.491 1.00 23.41 C ATOM 78 O ASN A 98 14.770 25.266 -11.905 1.00 33.22 O ATOM 79 CB ASN A 98 15.120 23.415 -14.833 1.00 21.55 C ATOM 80 CG ASN A 98 14.866 24.641 -15.687 1.00 42.12 C ATOM 81 OD1 ASN A 98 14.968 25.773 -15.214 1.00 12.32 O ATOM 82 ND2 ASN A 98 14.533 24.421 -16.954 1.00 73.10 N ATOM 0 H ASN A 98 16.026 21.738 -13.009 1.00 21.53 H new ATOM 0 HA ASN A 98 16.456 24.594 -13.633 1.00 1.13 H new ATOM 0 HB2 ASN A 98 15.765 22.725 -15.376 1.00 21.55 H new ATOM 0 HB3 ASN A 98 14.177 22.898 -14.656 1.00 21.55 H new ATOM 0 HD21 ASN A 98 14.350 25.208 -17.577 1.00 73.10 H new ATOM 0 HD22 ASN A 98 14.460 23.466 -17.304 1.00 73.10 H new ATOM 89 N SER A 99 13.698 23.328 -12.302 1.00 22.35 N ATOM 90 CA SER A 99 12.609 23.613 -11.375 1.00 41.12 C ATOM 91 C SER A 99 12.087 22.329 -10.737 1.00 54.05 C ATOM 92 O SER A 99 11.979 21.294 -11.395 1.00 55.14 O ATOM 93 CB SER A 99 11.471 24.336 -12.100 1.00 22.51 C ATOM 94 OG SER A 99 11.973 25.346 -12.957 1.00 11.23 O ATOM 0 H SER A 99 13.622 22.429 -12.779 1.00 22.35 H new ATOM 0 HA SER A 99 12.996 24.258 -10.586 1.00 41.12 H new ATOM 0 HB2 SER A 99 10.891 23.618 -12.680 1.00 22.51 H new ATOM 0 HB3 SER A 99 10.793 24.778 -11.370 1.00 22.51 H new ATOM 0 HG SER A 99 11.227 25.792 -13.409 1.00 11.23 H new ATOM 100 N CYS A 100 11.764 22.405 -9.450 1.00 25.52 N ATOM 101 CA CYS A 100 11.254 21.249 -8.720 1.00 52.54 C ATOM 102 C CYS A 100 9.729 21.256 -8.692 1.00 33.44 C ATOM 103 O CYS A 100 9.081 20.436 -9.343 1.00 74.33 O ATOM 104 CB CYS A 100 11.802 21.239 -7.293 1.00 2.35 C ATOM 105 SG CYS A 100 11.026 20.001 -6.206 1.00 74.43 S ATOM 0 H CYS A 100 11.846 23.254 -8.891 1.00 25.52 H new ATOM 0 HA CYS A 100 11.587 20.348 -9.235 1.00 52.54 H new ATOM 0 HB2 CYS A 100 12.875 21.053 -7.329 1.00 2.35 H new ATOM 0 HB3 CYS A 100 11.664 22.228 -6.856 1.00 2.35 H new ATOM 110 N LYS A 101 9.160 22.186 -7.931 1.00 65.41 N ATOM 111 CA LYS A 101 7.711 22.301 -7.818 1.00 24.44 C ATOM 112 C LYS A 101 7.041 22.084 -9.169 1.00 75.23 C ATOM 113 O LYS A 101 7.027 22.963 -10.031 1.00 74.55 O ATOM 114 CB LYS A 101 7.331 23.675 -7.262 1.00 22.13 C ATOM 115 CG LYS A 101 7.263 23.721 -5.745 1.00 21.52 C ATOM 116 CD LYS A 101 8.619 24.033 -5.136 1.00 2.25 C ATOM 117 CE LYS A 101 9.219 22.811 -4.456 1.00 42.22 C ATOM 118 NZ LYS A 101 9.916 23.167 -3.188 1.00 73.12 N ATOM 0 H LYS A 101 9.681 22.871 -7.383 1.00 65.41 H new ATOM 0 HA LYS A 101 7.362 21.529 -7.132 1.00 24.44 H new ATOM 0 HB2 LYS A 101 8.058 24.411 -7.607 1.00 22.13 H new ATOM 0 HB3 LYS A 101 6.363 23.967 -7.670 1.00 22.13 H new ATOM 0 HG2 LYS A 101 6.541 24.477 -5.435 1.00 21.52 H new ATOM 0 HG3 LYS A 101 6.905 22.764 -5.367 1.00 21.52 H new ATOM 0 HD2 LYS A 101 9.296 24.387 -5.914 1.00 2.25 H new ATOM 0 HD3 LYS A 101 8.516 24.841 -4.411 1.00 2.25 H new ATOM 0 HE2 LYS A 101 8.430 22.088 -4.246 1.00 42.22 H new ATOM 0 HE3 LYS A 101 9.923 22.327 -5.134 1.00 42.22 H new ATOM 0 HZ1 LYS A 101 10.311 22.307 -2.756 1.00 73.12 H new ATOM 0 HZ2 LYS A 101 10.685 23.837 -3.391 1.00 73.12 H new ATOM 0 HZ3 LYS A 101 9.239 23.605 -2.531 1.00 73.12 H new ATOM 132 N PRO A 102 6.468 20.886 -9.361 1.00 52.30 N ATOM 133 CA PRO A 102 5.782 20.527 -10.606 1.00 41.04 C ATOM 134 C PRO A 102 4.474 21.290 -10.789 1.00 3.30 C ATOM 135 O PRO A 102 3.393 20.749 -10.567 1.00 14.02 O ATOM 136 CB PRO A 102 5.508 19.030 -10.441 1.00 50.24 C ATOM 137 CG PRO A 102 5.467 18.812 -8.967 1.00 40.24 C ATOM 138 CD PRO A 102 6.445 19.791 -8.378 1.00 21.31 C ATOM 0 HA PRO A 102 6.379 20.771 -11.485 1.00 41.04 H new ATOM 0 HB2 PRO A 102 4.566 18.746 -10.909 1.00 50.24 H new ATOM 0 HB3 PRO A 102 6.289 18.431 -10.908 1.00 50.24 H new ATOM 0 HG2 PRO A 102 4.464 18.979 -8.575 1.00 40.24 H new ATOM 0 HG3 PRO A 102 5.741 17.787 -8.716 1.00 40.24 H new ATOM 0 HD2 PRO A 102 6.123 20.139 -7.397 1.00 21.31 H new ATOM 0 HD3 PRO A 102 7.432 19.345 -8.250 1.00 21.31 H new ATOM 146 N ALA A 103 4.583 22.551 -11.197 1.00 34.24 N ATOM 147 CA ALA A 103 3.409 23.387 -11.412 1.00 1.52 C ATOM 148 C ALA A 103 2.387 22.683 -12.298 1.00 23.15 C ATOM 149 O ALA A 103 1.187 22.930 -12.193 1.00 73.15 O ATOM 150 CB ALA A 103 3.816 24.718 -12.027 1.00 14.10 C ATOM 0 H ALA A 103 5.472 23.015 -11.385 1.00 34.24 H new ATOM 0 HA ALA A 103 2.943 23.573 -10.444 1.00 1.52 H new ATOM 0 HB1 ALA A 103 2.930 25.333 -12.183 1.00 14.10 H new ATOM 0 HB2 ALA A 103 4.503 25.234 -11.356 1.00 14.10 H new ATOM 0 HB3 ALA A 103 4.308 24.542 -12.984 1.00 14.10 H new ATOM 156 N ALA A 104 2.873 21.805 -13.170 1.00 23.31 N ATOM 157 CA ALA A 104 2.001 21.063 -14.073 1.00 1.41 C ATOM 158 C ALA A 104 2.802 20.090 -14.931 1.00 55.24 C ATOM 159 O ALA A 104 2.352 18.978 -15.207 1.00 20.13 O ATOM 160 CB ALA A 104 1.216 22.023 -14.954 1.00 14.24 C ATOM 0 H ALA A 104 3.865 21.590 -13.270 1.00 23.31 H new ATOM 0 HA ALA A 104 1.301 20.485 -13.470 1.00 1.41 H new ATOM 0 HB1 ALA A 104 0.569 21.456 -15.623 1.00 14.24 H new ATOM 0 HB2 ALA A 104 0.608 22.676 -14.328 1.00 14.24 H new ATOM 0 HB3 ALA A 104 1.908 22.625 -15.542 1.00 14.24 H new ATOM 166 N ALA A 105 3.988 20.516 -15.351 1.00 30.43 N ATOM 167 CA ALA A 105 4.851 19.680 -16.177 1.00 5.51 C ATOM 168 C ALA A 105 6.255 20.267 -16.272 1.00 22.21 C ATOM 169 O ALA A 105 6.747 20.552 -17.364 1.00 73.41 O ATOM 170 CB ALA A 105 4.252 19.513 -17.565 1.00 2.51 C ATOM 0 H ALA A 105 4.374 21.435 -15.133 1.00 30.43 H new ATOM 0 HA ALA A 105 4.926 18.700 -15.705 1.00 5.51 H new ATOM 0 HB1 ALA A 105 4.907 18.887 -18.171 1.00 2.51 H new ATOM 0 HB2 ALA A 105 3.272 19.042 -17.484 1.00 2.51 H new ATOM 0 HB3 ALA A 105 4.147 20.490 -18.036 1.00 2.51 H new ATOM 176 N ALA A 106 6.897 20.445 -15.121 1.00 53.51 N ATOM 177 CA ALA A 106 8.245 20.997 -15.075 1.00 52.33 C ATOM 178 C ALA A 106 9.143 20.176 -14.156 1.00 72.33 C ATOM 179 O ALA A 106 9.782 20.714 -13.253 1.00 4.21 O ATOM 180 CB ALA A 106 8.206 22.448 -14.620 1.00 40.13 C ATOM 0 H ALA A 106 6.504 20.215 -14.208 1.00 53.51 H new ATOM 0 HA ALA A 106 8.663 20.955 -16.081 1.00 52.33 H new ATOM 0 HB1 ALA A 106 9.220 22.847 -14.590 1.00 40.13 H new ATOM 0 HB2 ALA A 106 7.606 23.032 -15.318 1.00 40.13 H new ATOM 0 HB3 ALA A 106 7.764 22.506 -13.625 1.00 40.13 H new ATOM 186 N CYS A 107 9.186 18.869 -14.393 1.00 22.42 N ATOM 187 CA CYS A 107 10.005 17.972 -13.586 1.00 65.22 C ATOM 188 C CYS A 107 9.872 16.531 -14.070 1.00 22.31 C ATOM 189 O CYS A 107 9.723 15.607 -13.269 1.00 51.21 O ATOM 190 CB CYS A 107 9.603 18.067 -12.113 1.00 51.05 C ATOM 191 SG CYS A 107 11.008 18.036 -10.955 1.00 2.11 S ATOM 0 H CYS A 107 8.663 18.407 -15.137 1.00 22.42 H new ATOM 0 HA CYS A 107 11.046 18.277 -13.691 1.00 65.22 H new ATOM 0 HB2 CYS A 107 9.040 18.988 -11.960 1.00 51.05 H new ATOM 0 HB3 CYS A 107 8.933 17.241 -11.876 1.00 51.05 H new ATOM 196 N CYS A 108 9.927 16.346 -15.385 1.00 3.13 N ATOM 197 CA CYS A 108 9.813 15.019 -15.977 1.00 30.23 C ATOM 198 C CYS A 108 11.138 14.266 -15.884 1.00 50.44 C ATOM 199 O CYS A 108 12.077 14.720 -15.230 1.00 62.35 O ATOM 200 CB CYS A 108 9.374 15.126 -17.439 1.00 24.54 C ATOM 201 SG CYS A 108 7.644 15.650 -17.658 1.00 42.03 S ATOM 0 H CYS A 108 10.050 17.100 -16.061 1.00 3.13 H new ATOM 0 HA CYS A 108 9.060 14.462 -15.419 1.00 30.23 H new ATOM 0 HB2 CYS A 108 10.025 15.834 -17.952 1.00 24.54 H new ATOM 0 HB3 CYS A 108 9.513 14.158 -17.921 1.00 24.54 H new ATOM 206 N ASP A 109 11.204 13.116 -16.544 1.00 71.43 N ATOM 207 CA ASP A 109 12.413 12.300 -16.540 1.00 2.15 C ATOM 208 C ASP A 109 12.625 11.650 -15.175 1.00 40.23 C ATOM 209 O ASP A 109 12.928 12.314 -14.184 1.00 75.03 O ATOM 210 CB ASP A 109 13.629 13.152 -16.906 1.00 24.23 C ATOM 211 CG ASP A 109 14.685 12.362 -17.655 1.00 21.24 C ATOM 212 OD1 ASP A 109 14.309 11.498 -18.475 1.00 4.23 O ATOM 213 OD2 ASP A 109 15.888 12.606 -17.419 1.00 13.42 O ATOM 0 H ASP A 109 10.435 12.727 -17.089 1.00 71.43 H new ATOM 0 HA ASP A 109 12.293 11.512 -17.284 1.00 2.15 H new ATOM 0 HB2 ASP A 109 13.308 13.995 -17.518 1.00 24.23 H new ATOM 0 HB3 ASP A 109 14.066 13.566 -15.997 1.00 24.23 H new ATOM 218 N PRO A 110 12.460 10.319 -15.122 1.00 3.52 N ATOM 219 CA PRO A 110 12.628 9.550 -13.885 1.00 13.21 C ATOM 220 C PRO A 110 14.083 9.488 -13.434 1.00 60.12 C ATOM 221 O PRO A 110 14.386 8.990 -12.349 1.00 5.01 O ATOM 222 CB PRO A 110 12.125 8.155 -14.265 1.00 4.42 C ATOM 223 CG PRO A 110 12.317 8.072 -15.740 1.00 51.31 C ATOM 224 CD PRO A 110 12.100 9.464 -16.265 1.00 63.21 C ATOM 0 HA PRO A 110 12.091 9.999 -13.049 1.00 13.21 H new ATOM 0 HB2 PRO A 110 12.687 7.377 -13.748 1.00 4.42 H new ATOM 0 HB3 PRO A 110 11.077 8.025 -13.994 1.00 4.42 H new ATOM 0 HG2 PRO A 110 13.317 7.715 -15.984 1.00 51.31 H new ATOM 0 HG3 PRO A 110 11.611 7.372 -16.187 1.00 51.31 H new ATOM 0 HD2 PRO A 110 12.727 9.668 -17.133 1.00 63.21 H new ATOM 0 HD3 PRO A 110 11.067 9.620 -16.574 1.00 63.21 H new ATOM 232 N CYS A 111 14.980 9.997 -14.272 1.00 30.41 N ATOM 233 CA CYS A 111 16.404 9.999 -13.960 1.00 34.44 C ATOM 234 C CYS A 111 16.759 11.169 -13.047 1.00 61.14 C ATOM 235 O CYS A 111 17.855 11.225 -12.490 1.00 35.22 O ATOM 236 CB CYS A 111 17.229 10.071 -15.246 1.00 63.32 C ATOM 237 SG CYS A 111 18.057 8.510 -15.687 1.00 72.32 S ATOM 0 H CYS A 111 14.745 10.414 -15.173 1.00 30.41 H new ATOM 0 HA CYS A 111 16.638 9.071 -13.439 1.00 34.44 H new ATOM 0 HB2 CYS A 111 16.577 10.368 -16.067 1.00 63.32 H new ATOM 0 HB3 CYS A 111 17.982 10.852 -15.138 1.00 63.32 H new ATOM 242 N ALA A 112 15.825 12.102 -12.902 1.00 13.44 N ATOM 243 CA ALA A 112 16.037 13.271 -12.056 1.00 64.10 C ATOM 244 C ALA A 112 15.018 13.321 -10.923 1.00 2.55 C ATOM 245 O ALA A 112 13.852 12.974 -11.108 1.00 1.43 O ATOM 246 CB ALA A 112 15.969 14.543 -12.887 1.00 4.22 C ATOM 0 H ALA A 112 14.914 12.072 -13.359 1.00 13.44 H new ATOM 0 HA ALA A 112 17.030 13.193 -11.613 1.00 64.10 H new ATOM 0 HB1 ALA A 112 16.129 15.408 -12.243 1.00 4.22 H new ATOM 0 HB2 ALA A 112 16.740 14.516 -13.657 1.00 4.22 H new ATOM 0 HB3 ALA A 112 14.989 14.618 -13.358 1.00 4.22 H new ATOM 252 N SER A 113 15.467 13.755 -9.749 1.00 30.31 N ATOM 253 CA SER A 113 14.594 13.846 -8.584 1.00 41.31 C ATOM 254 C SER A 113 14.596 15.261 -8.014 1.00 2.14 C ATOM 255 O SER A 113 15.556 16.012 -8.187 1.00 22.23 O ATOM 256 CB SER A 113 15.037 12.850 -7.509 1.00 52.23 C ATOM 257 OG SER A 113 13.923 12.332 -6.805 1.00 13.13 O ATOM 0 H SER A 113 16.429 14.049 -9.580 1.00 30.31 H new ATOM 0 HA SER A 113 13.580 13.601 -8.900 1.00 41.31 H new ATOM 0 HB2 SER A 113 15.591 12.033 -7.972 1.00 52.23 H new ATOM 0 HB3 SER A 113 15.716 13.341 -6.812 1.00 52.23 H new ATOM 0 HG SER A 113 14.232 11.697 -6.125 1.00 13.13 H new ATOM 263 N CYS A 114 13.513 15.618 -7.332 1.00 54.42 N ATOM 264 CA CYS A 114 13.387 16.943 -6.735 1.00 70.33 C ATOM 265 C CYS A 114 14.415 17.139 -5.625 1.00 43.44 C ATOM 266 O CYS A 114 14.208 16.711 -4.489 1.00 41.35 O ATOM 267 CB CYS A 114 11.975 17.142 -6.180 1.00 65.20 C ATOM 268 SG CYS A 114 10.935 18.259 -7.174 1.00 64.34 S ATOM 0 H CYS A 114 12.710 15.008 -7.179 1.00 54.42 H new ATOM 0 HA CYS A 114 13.572 17.684 -7.512 1.00 70.33 H new ATOM 0 HB2 CYS A 114 11.484 16.172 -6.110 1.00 65.20 H new ATOM 0 HB3 CYS A 114 12.047 17.536 -5.166 1.00 65.20 H new ATOM 273 N TYR A 115 15.524 17.790 -5.962 1.00 35.42 N ATOM 274 CA TYR A 115 16.585 18.042 -4.994 1.00 43.25 C ATOM 275 C TYR A 115 16.608 19.510 -4.580 1.00 41.44 C ATOM 276 O TYR A 115 16.398 20.403 -5.402 1.00 73.23 O ATOM 277 CB TYR A 115 17.941 17.644 -5.581 1.00 1.44 C ATOM 278 CG TYR A 115 19.118 18.237 -4.838 1.00 73.23 C ATOM 279 CD1 TYR A 115 19.681 17.579 -3.751 1.00 32.01 C ATOM 280 CD2 TYR A 115 19.667 19.454 -5.223 1.00 70.41 C ATOM 281 CE1 TYR A 115 20.755 18.117 -3.068 1.00 60.15 C ATOM 282 CE2 TYR A 115 20.742 19.997 -4.548 1.00 41.24 C ATOM 283 CZ TYR A 115 21.283 19.326 -3.471 1.00 73.25 C ATOM 284 OH TYR A 115 22.353 19.864 -2.796 1.00 10.51 O ATOM 0 H TYR A 115 15.711 18.152 -6.897 1.00 35.42 H new ATOM 0 HA TYR A 115 16.387 17.438 -4.109 1.00 43.25 H new ATOM 0 HB2 TYR A 115 18.027 16.557 -5.573 1.00 1.44 H new ATOM 0 HB3 TYR A 115 17.983 17.959 -6.624 1.00 1.44 H new ATOM 0 HD1 TYR A 115 19.272 16.631 -3.435 1.00 32.01 H new ATOM 0 HD2 TYR A 115 19.246 19.984 -6.064 1.00 70.41 H new ATOM 0 HE1 TYR A 115 21.179 17.594 -2.223 1.00 60.15 H new ATOM 0 HE2 TYR A 115 21.158 20.943 -4.862 1.00 41.24 H new ATOM 0 HH TYR A 115 22.604 20.718 -3.207 1.00 10.51 H new ATOM 294 N CYS A 116 16.865 19.752 -3.300 1.00 51.51 N ATOM 295 CA CYS A 116 16.915 21.111 -2.773 1.00 45.33 C ATOM 296 C CYS A 116 18.327 21.462 -2.309 1.00 71.24 C ATOM 297 O CYS A 116 19.137 20.579 -2.029 1.00 32.02 O ATOM 298 CB CYS A 116 15.931 21.268 -1.613 1.00 41.13 C ATOM 299 SG CYS A 116 14.215 20.824 -2.029 1.00 13.12 S ATOM 0 H CYS A 116 17.042 19.025 -2.607 1.00 51.51 H new ATOM 0 HA CYS A 116 16.633 21.795 -3.573 1.00 45.33 H new ATOM 0 HB2 CYS A 116 16.264 20.647 -0.781 1.00 41.13 H new ATOM 0 HB3 CYS A 116 15.954 22.302 -1.268 1.00 41.13 H new ATOM 304 N ARG A 117 18.612 22.758 -2.232 1.00 22.34 N ATOM 305 CA ARG A 117 19.925 23.226 -1.803 1.00 61.42 C ATOM 306 C ARG A 117 19.822 24.014 -0.501 1.00 33.22 C ATOM 307 O ARG A 117 18.764 24.061 0.127 1.00 63.22 O ATOM 308 CB ARG A 117 20.559 24.096 -2.889 1.00 52.42 C ATOM 309 CG ARG A 117 19.546 24.863 -3.724 1.00 30.10 C ATOM 310 CD ARG A 117 18.806 25.897 -2.889 1.00 71.34 C ATOM 311 NE ARG A 117 18.369 27.037 -3.691 1.00 65.12 N ATOM 312 CZ ARG A 117 19.191 27.984 -4.131 1.00 21.24 C ATOM 313 NH1 ARG A 117 20.486 27.927 -3.847 1.00 33.25 N ATOM 314 NH2 ARG A 117 18.719 28.990 -4.855 1.00 43.50 N ATOM 0 H ARG A 117 17.952 23.502 -2.461 1.00 22.34 H new ATOM 0 HA ARG A 117 20.556 22.354 -1.631 1.00 61.42 H new ATOM 0 HB2 ARG A 117 21.243 24.805 -2.422 1.00 52.42 H new ATOM 0 HB3 ARG A 117 21.155 23.464 -3.547 1.00 52.42 H new ATOM 0 HG2 ARG A 117 20.055 25.358 -4.551 1.00 30.10 H new ATOM 0 HG3 ARG A 117 18.830 24.166 -4.161 1.00 30.10 H new ATOM 0 HD2 ARG A 117 17.940 25.431 -2.419 1.00 71.34 H new ATOM 0 HD3 ARG A 117 19.455 26.246 -2.086 1.00 71.34 H new ATOM 0 HE ARG A 117 17.379 27.110 -3.926 1.00 65.12 H new ATOM 0 HH11 ARG A 117 20.852 27.155 -3.290 1.00 33.25 H new ATOM 0 HH12 ARG A 117 21.115 28.655 -4.186 1.00 33.25 H new ATOM 0 HH21 ARG A 117 17.724 29.037 -5.075 1.00 43.50 H new ATOM 0 HH22 ARG A 117 19.351 29.716 -5.192 1.00 43.50 H new ATOM 328 N PHE A 118 20.929 24.630 -0.099 1.00 30.02 N ATOM 329 CA PHE A 118 20.964 25.415 1.129 1.00 32.34 C ATOM 330 C PHE A 118 19.706 26.266 1.268 1.00 53.22 C ATOM 331 O PHE A 118 18.989 26.179 2.265 1.00 71.34 O ATOM 332 CB PHE A 118 22.204 26.310 1.153 1.00 41.52 C ATOM 333 CG PHE A 118 23.489 25.551 1.323 1.00 50.35 C ATOM 334 CD1 PHE A 118 23.837 25.020 2.554 1.00 42.12 C ATOM 335 CD2 PHE A 118 24.348 25.368 0.251 1.00 70.53 C ATOM 336 CE1 PHE A 118 25.019 24.322 2.713 1.00 23.22 C ATOM 337 CE2 PHE A 118 25.531 24.669 0.404 1.00 32.33 C ATOM 338 CZ PHE A 118 25.867 24.145 1.637 1.00 53.12 C ATOM 0 H PHE A 118 21.814 24.601 -0.606 1.00 30.02 H new ATOM 0 HA PHE A 118 21.008 24.723 1.970 1.00 32.34 H new ATOM 0 HB2 PHE A 118 22.248 26.880 0.225 1.00 41.52 H new ATOM 0 HB3 PHE A 118 22.107 27.030 1.965 1.00 41.52 H new ATOM 0 HD1 PHE A 118 23.177 25.153 3.399 1.00 42.12 H new ATOM 0 HD2 PHE A 118 24.090 25.776 -0.715 1.00 70.53 H new ATOM 0 HE1 PHE A 118 25.280 23.915 3.679 1.00 23.22 H new ATOM 0 HE2 PHE A 118 26.192 24.533 -0.440 1.00 32.33 H new ATOM 0 HZ PHE A 118 26.790 23.598 1.760 1.00 53.12 H new ATOM 348 N PHE A 119 19.443 27.092 0.259 1.00 31.42 N ATOM 349 CA PHE A 119 18.272 27.961 0.267 1.00 24.05 C ATOM 350 C PHE A 119 17.018 27.180 0.648 1.00 51.54 C ATOM 351 O PHE A 119 16.199 27.646 1.440 1.00 44.42 O ATOM 352 CB PHE A 119 18.085 28.613 -1.105 1.00 21.25 C ATOM 353 CG PHE A 119 17.566 30.021 -1.032 1.00 64.54 C ATOM 354 CD1 PHE A 119 18.275 31.001 -0.358 1.00 41.54 C ATOM 355 CD2 PHE A 119 16.369 30.363 -1.640 1.00 31.50 C ATOM 356 CE1 PHE A 119 17.800 32.298 -0.291 1.00 63.23 C ATOM 357 CE2 PHE A 119 15.889 31.658 -1.577 1.00 73.51 C ATOM 358 CZ PHE A 119 16.605 32.625 -0.900 1.00 11.22 C ATOM 0 H PHE A 119 20.025 27.177 -0.574 1.00 31.42 H new ATOM 0 HA PHE A 119 18.433 28.740 1.012 1.00 24.05 H new ATOM 0 HB2 PHE A 119 19.039 28.612 -1.632 1.00 21.25 H new ATOM 0 HB3 PHE A 119 17.395 28.010 -1.695 1.00 21.25 H new ATOM 0 HD1 PHE A 119 19.210 30.750 0.121 1.00 41.54 H new ATOM 0 HD2 PHE A 119 15.805 29.609 -2.169 1.00 31.50 H new ATOM 0 HE1 PHE A 119 18.363 33.054 0.237 1.00 63.23 H new ATOM 0 HE2 PHE A 119 14.955 31.913 -2.057 1.00 73.51 H new ATOM 0 HZ PHE A 119 16.230 33.637 -0.847 1.00 11.22 H new ATOM 368 N ARG A 120 16.873 25.989 0.075 1.00 62.31 N ATOM 369 CA ARG A 120 15.718 25.143 0.351 1.00 3.31 C ATOM 370 C ARG A 120 14.425 25.840 -0.060 1.00 73.31 C ATOM 371 O ARG A 120 13.342 25.488 0.409 1.00 22.53 O ATOM 372 CB ARG A 120 15.667 24.784 1.837 1.00 35.54 C ATOM 373 CG ARG A 120 16.181 23.388 2.145 1.00 61.33 C ATOM 374 CD ARG A 120 15.086 22.344 1.994 1.00 54.33 C ATOM 375 NE ARG A 120 15.332 21.166 2.822 1.00 4.42 N ATOM 376 CZ ARG A 120 16.313 20.299 2.592 1.00 11.25 C ATOM 377 NH1 ARG A 120 17.133 20.478 1.567 1.00 75.33 N ATOM 378 NH2 ARG A 120 16.473 19.253 3.392 1.00 63.11 N ATOM 0 H ARG A 120 17.541 25.588 -0.583 1.00 62.31 H new ATOM 0 HA ARG A 120 15.819 24.228 -0.233 1.00 3.31 H new ATOM 0 HB2 ARG A 120 16.255 25.510 2.398 1.00 35.54 H new ATOM 0 HB3 ARG A 120 14.638 24.869 2.187 1.00 35.54 H new ATOM 0 HG2 ARG A 120 17.008 23.148 1.477 1.00 61.33 H new ATOM 0 HG3 ARG A 120 16.574 23.360 3.161 1.00 61.33 H new ATOM 0 HD2 ARG A 120 14.126 22.784 2.266 1.00 54.33 H new ATOM 0 HD3 ARG A 120 15.014 22.043 0.949 1.00 54.33 H new ATOM 0 HE ARG A 120 14.718 21.000 3.619 1.00 4.42 H new ATOM 0 HH11 ARG A 120 17.012 21.283 0.952 1.00 75.33 H new ATOM 0 HH12 ARG A 120 17.885 19.811 1.393 1.00 75.33 H new ATOM 0 HH21 ARG A 120 15.844 19.115 4.183 1.00 63.11 H new ATOM 0 HH22 ARG A 120 17.225 18.587 3.216 1.00 63.11 H new ATOM 392 N SER A 121 14.544 26.829 -0.939 1.00 3.22 N ATOM 393 CA SER A 121 13.385 27.578 -1.411 1.00 63.11 C ATOM 394 C SER A 121 13.218 27.427 -2.919 1.00 54.03 C ATOM 395 O SER A 121 12.107 27.509 -3.443 1.00 43.01 O ATOM 396 CB SER A 121 13.524 29.058 -1.047 1.00 61.43 C ATOM 397 OG SER A 121 12.349 29.541 -0.421 1.00 53.10 O ATOM 0 H SER A 121 15.432 27.131 -1.339 1.00 3.22 H new ATOM 0 HA SER A 121 12.499 27.173 -0.923 1.00 63.11 H new ATOM 0 HB2 SER A 121 14.377 29.194 -0.381 1.00 61.43 H new ATOM 0 HB3 SER A 121 13.726 29.640 -1.946 1.00 61.43 H new ATOM 0 HG SER A 121 12.464 30.488 -0.197 1.00 53.10 H new ATOM 403 N ALA A 122 14.330 27.205 -3.612 1.00 43.12 N ATOM 404 CA ALA A 122 14.308 27.041 -5.061 1.00 21.24 C ATOM 405 C ALA A 122 14.869 25.682 -5.467 1.00 71.14 C ATOM 406 O ALA A 122 15.963 25.592 -6.025 1.00 60.01 O ATOM 407 CB ALA A 122 15.092 28.160 -5.731 1.00 35.32 C ATOM 0 H ALA A 122 15.258 27.135 -3.194 1.00 43.12 H new ATOM 0 HA ALA A 122 13.271 27.091 -5.393 1.00 21.24 H new ATOM 0 HB1 ALA A 122 15.067 28.025 -6.812 1.00 35.32 H new ATOM 0 HB2 ALA A 122 14.646 29.121 -5.475 1.00 35.32 H new ATOM 0 HB3 ALA A 122 16.126 28.137 -5.386 1.00 35.32 H new ATOM 413 N CYS A 123 14.113 24.626 -5.185 1.00 14.32 N ATOM 414 CA CYS A 123 14.534 23.272 -5.520 1.00 20.44 C ATOM 415 C CYS A 123 14.341 22.995 -7.008 1.00 61.41 C ATOM 416 O CYS A 123 13.504 23.616 -7.663 1.00 15.04 O ATOM 417 CB CYS A 123 13.748 22.252 -4.694 1.00 22.13 C ATOM 418 SG CYS A 123 13.641 22.657 -2.920 1.00 73.52 S ATOM 0 H CYS A 123 13.205 24.683 -4.725 1.00 14.32 H new ATOM 0 HA CYS A 123 15.594 23.179 -5.286 1.00 20.44 H new ATOM 0 HB2 CYS A 123 12.739 22.172 -5.099 1.00 22.13 H new ATOM 0 HB3 CYS A 123 14.215 21.273 -4.805 1.00 22.13 H new ATOM 423 N TYR A 124 15.120 22.057 -7.535 1.00 3.41 N ATOM 424 CA TYR A 124 15.037 21.698 -8.946 1.00 43.42 C ATOM 425 C TYR A 124 15.283 20.206 -9.144 1.00 32.34 C ATOM 426 O TYR A 124 15.868 19.542 -8.288 1.00 34.23 O ATOM 427 CB TYR A 124 16.050 22.506 -9.760 1.00 32.33 C ATOM 428 CG TYR A 124 17.335 22.792 -9.016 1.00 33.34 C ATOM 429 CD1 TYR A 124 18.124 21.756 -8.531 1.00 24.45 C ATOM 430 CD2 TYR A 124 17.758 24.096 -8.795 1.00 51.04 C ATOM 431 CE1 TYR A 124 19.298 22.012 -7.849 1.00 23.24 C ATOM 432 CE2 TYR A 124 18.932 24.362 -8.116 1.00 72.25 C ATOM 433 CZ TYR A 124 19.698 23.316 -7.646 1.00 14.24 C ATOM 434 OH TYR A 124 20.867 23.577 -6.968 1.00 22.14 O ATOM 0 H TYR A 124 15.816 21.531 -7.006 1.00 3.41 H new ATOM 0 HA TYR A 124 14.031 21.931 -9.295 1.00 43.42 H new ATOM 0 HB2 TYR A 124 16.283 21.963 -10.676 1.00 32.33 H new ATOM 0 HB3 TYR A 124 15.594 23.450 -10.057 1.00 32.33 H new ATOM 0 HD1 TYR A 124 17.814 20.734 -8.690 1.00 24.45 H new ATOM 0 HD2 TYR A 124 17.159 24.917 -9.160 1.00 51.04 H new ATOM 0 HE1 TYR A 124 19.899 21.195 -7.477 1.00 23.24 H new ATOM 0 HE2 TYR A 124 19.247 25.382 -7.955 1.00 72.25 H new ATOM 0 HH TYR A 124 21.004 24.546 -6.912 1.00 22.14 H new ATOM 444 N CYS A 125 14.832 19.685 -10.280 1.00 34.44 N ATOM 445 CA CYS A 125 15.002 18.271 -10.593 1.00 74.00 C ATOM 446 C CYS A 125 16.466 17.948 -10.877 1.00 42.41 C ATOM 447 O CYS A 125 16.932 18.076 -12.010 1.00 14.12 O ATOM 448 CB CYS A 125 14.141 17.887 -11.799 1.00 11.12 C ATOM 449 SG CYS A 125 12.581 17.052 -11.363 1.00 60.33 S ATOM 0 H CYS A 125 14.346 20.221 -10.999 1.00 34.44 H new ATOM 0 HA CYS A 125 14.682 17.692 -9.727 1.00 74.00 H new ATOM 0 HB2 CYS A 125 13.912 18.787 -12.370 1.00 11.12 H new ATOM 0 HB3 CYS A 125 14.720 17.234 -12.452 1.00 11.12 H new ATOM 454 N ARG A 126 17.186 17.530 -9.841 1.00 73.44 N ATOM 455 CA ARG A 126 18.596 17.190 -9.978 1.00 42.11 C ATOM 456 C ARG A 126 18.786 15.679 -10.073 1.00 75.02 C ATOM 457 O ARG A 126 18.203 14.920 -9.297 1.00 33.12 O ATOM 458 CB ARG A 126 19.393 17.741 -8.794 1.00 40.31 C ATOM 459 CG ARG A 126 20.896 17.748 -9.021 1.00 31.43 C ATOM 460 CD ARG A 126 21.564 18.907 -8.299 1.00 23.31 C ATOM 461 NE ARG A 126 21.709 20.077 -9.159 1.00 3.31 N ATOM 462 CZ ARG A 126 22.580 21.054 -8.931 1.00 25.11 C ATOM 463 NH1 ARG A 126 23.381 20.999 -7.875 1.00 15.30 N ATOM 464 NH2 ARG A 126 22.654 22.087 -9.760 1.00 10.02 N ATOM 0 H ARG A 126 16.815 17.419 -8.897 1.00 73.44 H new ATOM 0 HA ARG A 126 18.964 17.643 -10.898 1.00 42.11 H new ATOM 0 HB2 ARG A 126 19.061 18.758 -8.585 1.00 40.31 H new ATOM 0 HB3 ARG A 126 19.171 17.145 -7.909 1.00 40.31 H new ATOM 0 HG2 ARG A 126 21.322 16.807 -8.672 1.00 31.43 H new ATOM 0 HG3 ARG A 126 21.103 17.815 -10.089 1.00 31.43 H new ATOM 0 HD2 ARG A 126 20.977 19.174 -7.420 1.00 23.31 H new ATOM 0 HD3 ARG A 126 22.546 18.595 -7.943 1.00 23.31 H new ATOM 0 HE ARG A 126 21.109 20.149 -9.980 1.00 3.31 H new ATOM 0 HH11 ARG A 126 23.329 20.206 -7.236 1.00 15.30 H new ATOM 0 HH12 ARG A 126 24.049 21.750 -7.702 1.00 15.30 H new ATOM 0 HH21 ARG A 126 22.041 22.132 -10.574 1.00 10.02 H new ATOM 0 HH22 ARG A 126 23.323 22.836 -9.583 1.00 10.02 H new ATOM 478 N VAL A 127 19.602 15.248 -11.029 1.00 74.15 N ATOM 479 CA VAL A 127 19.868 13.828 -11.225 1.00 11.44 C ATOM 480 C VAL A 127 20.864 13.308 -10.194 1.00 14.41 C ATOM 481 O VAL A 127 22.033 13.078 -10.504 1.00 54.14 O ATOM 482 CB VAL A 127 20.415 13.550 -12.638 1.00 21.43 C ATOM 483 CG1 VAL A 127 19.312 13.688 -13.675 1.00 63.44 C ATOM 484 CG2 VAL A 127 21.574 14.483 -12.953 1.00 24.45 C ATOM 0 H VAL A 127 20.091 15.862 -11.680 1.00 74.15 H new ATOM 0 HA VAL A 127 18.918 13.308 -11.102 1.00 11.44 H new ATOM 0 HB VAL A 127 20.784 12.525 -12.670 1.00 21.43 H new ATOM 0 HG11 VAL A 127 19.718 13.488 -14.667 1.00 63.44 H new ATOM 0 HG12 VAL A 127 18.517 12.975 -13.458 1.00 63.44 H new ATOM 0 HG13 VAL A 127 18.909 14.700 -13.645 1.00 63.44 H new ATOM 0 HG21 VAL A 127 21.948 14.273 -13.955 1.00 24.45 H new ATOM 0 HG22 VAL A 127 21.233 15.517 -12.903 1.00 24.45 H new ATOM 0 HG23 VAL A 127 22.373 14.329 -12.228 1.00 24.45 H new ATOM 494 N LEU A 128 20.392 13.123 -8.965 1.00 41.54 N ATOM 495 CA LEU A 128 21.240 12.630 -7.887 1.00 4.05 C ATOM 496 C LEU A 128 21.794 11.247 -8.219 1.00 2.41 C ATOM 497 O LEU A 128 22.767 10.796 -7.615 1.00 42.44 O ATOM 498 CB LEU A 128 20.453 12.575 -6.577 1.00 24.41 C ATOM 499 CG LEU A 128 19.802 13.883 -6.128 1.00 44.04 C ATOM 500 CD1 LEU A 128 20.580 15.076 -6.664 1.00 74.12 C ATOM 501 CD2 LEU A 128 18.352 13.942 -6.586 1.00 23.43 C ATOM 0 H LEU A 128 19.427 13.307 -8.692 1.00 41.54 H new ATOM 0 HA LEU A 128 22.077 13.319 -7.772 1.00 4.05 H new ATOM 0 HB2 LEU A 128 19.673 11.820 -6.677 1.00 24.41 H new ATOM 0 HB3 LEU A 128 21.124 12.237 -5.787 1.00 24.41 H new ATOM 0 HG LEU A 128 19.820 13.921 -5.039 1.00 44.04 H new ATOM 0 HD11 LEU A 128 20.103 15.999 -6.335 1.00 74.12 H new ATOM 0 HD12 LEU A 128 21.603 15.042 -6.288 1.00 74.12 H new ATOM 0 HD13 LEU A 128 20.593 15.042 -7.753 1.00 74.12 H new ATOM 0 HD21 LEU A 128 17.905 14.880 -6.257 1.00 23.43 H new ATOM 0 HD22 LEU A 128 18.311 13.882 -7.674 1.00 23.43 H new ATOM 0 HD23 LEU A 128 17.800 13.106 -6.155 1.00 23.43 H new ATOM 513 N SER A 129 21.170 10.582 -9.186 1.00 33.35 N ATOM 514 CA SER A 129 21.599 9.251 -9.597 1.00 73.42 C ATOM 515 C SER A 129 22.944 9.312 -10.315 1.00 24.12 C ATOM 516 O SER A 129 23.733 8.367 -10.262 1.00 75.14 O ATOM 517 CB SER A 129 20.550 8.613 -10.510 1.00 14.41 C ATOM 518 OG SER A 129 19.560 7.936 -9.755 1.00 23.44 O ATOM 0 H SER A 129 20.366 10.943 -9.699 1.00 33.35 H new ATOM 0 HA SER A 129 21.711 8.640 -8.702 1.00 73.42 H new ATOM 0 HB2 SER A 129 20.081 9.382 -11.123 1.00 14.41 H new ATOM 0 HB3 SER A 129 21.034 7.913 -11.191 1.00 14.41 H new ATOM 0 HG SER A 129 18.901 7.539 -10.362 1.00 23.44 H new ATOM 524 N LEU A 130 23.199 10.430 -10.984 1.00 43.25 N ATOM 525 CA LEU A 130 24.450 10.616 -11.714 1.00 13.52 C ATOM 526 C LEU A 130 24.714 9.442 -12.651 1.00 34.21 C ATOM 527 O LEU A 130 25.798 8.860 -12.642 1.00 33.45 O ATOM 528 CB LEU A 130 25.614 10.776 -10.735 1.00 62.14 C ATOM 529 CG LEU A 130 25.423 11.810 -9.626 1.00 34.21 C ATOM 530 CD1 LEU A 130 26.421 11.579 -8.503 1.00 1.12 C ATOM 531 CD2 LEU A 130 25.558 13.220 -10.181 1.00 44.03 C ATOM 0 H LEU A 130 22.558 11.221 -11.037 1.00 43.25 H new ATOM 0 HA LEU A 130 24.361 11.521 -12.314 1.00 13.52 H new ATOM 0 HB2 LEU A 130 25.808 9.808 -10.272 1.00 62.14 H new ATOM 0 HB3 LEU A 130 26.506 11.043 -11.303 1.00 62.14 H new ATOM 0 HG LEU A 130 24.418 11.697 -9.220 1.00 34.21 H new ATOM 0 HD11 LEU A 130 26.270 12.325 -7.723 1.00 1.12 H new ATOM 0 HD12 LEU A 130 26.275 10.583 -8.086 1.00 1.12 H new ATOM 0 HD13 LEU A 130 27.435 11.664 -8.894 1.00 1.12 H new ATOM 0 HD21 LEU A 130 25.419 13.942 -9.377 1.00 44.03 H new ATOM 0 HD22 LEU A 130 26.550 13.347 -10.615 1.00 44.03 H new ATOM 0 HD23 LEU A 130 24.802 13.382 -10.949 1.00 44.03 H new ATOM 543 N ASN A 131 23.716 9.099 -13.458 1.00 41.33 N ATOM 544 CA ASN A 131 23.841 7.995 -14.403 1.00 25.12 C ATOM 545 C ASN A 131 23.382 8.416 -15.796 1.00 75.33 C ATOM 546 O ASN A 131 23.995 8.054 -16.800 1.00 24.41 O ATOM 547 CB ASN A 131 23.025 6.793 -13.925 1.00 53.03 C ATOM 548 CG ASN A 131 23.591 5.476 -14.419 1.00 30.40 C ATOM 549 OD1 ASN A 131 24.670 5.056 -14.000 1.00 44.44 O ATOM 550 ND2 ASN A 131 22.864 4.817 -15.314 1.00 10.44 N ATOM 0 H ASN A 131 22.811 9.570 -13.477 1.00 41.33 H new ATOM 0 HA ASN A 131 24.892 7.713 -14.457 1.00 25.12 H new ATOM 0 HB2 ASN A 131 22.996 6.787 -12.835 1.00 53.03 H new ATOM 0 HB3 ASN A 131 21.996 6.895 -14.270 1.00 53.03 H new ATOM 0 HD21 ASN A 131 23.194 3.925 -15.682 1.00 10.44 H new ATOM 0 HD22 ASN A 131 21.975 5.203 -15.633 1.00 10.44 H new ATOM 557 N CYS A 132 22.297 9.182 -15.849 1.00 51.01 N ATOM 558 CA CYS A 132 21.754 9.652 -17.117 1.00 13.10 C ATOM 559 C CYS A 132 22.650 10.726 -17.728 1.00 33.42 C ATOM 560 O CYS A 132 22.826 11.801 -17.154 1.00 54.02 O ATOM 561 CB CYS A 132 20.342 10.205 -16.917 1.00 74.22 C ATOM 562 SG CYS A 132 19.018 9.081 -17.471 1.00 42.12 S ATOM 0 H CYS A 132 21.777 9.490 -15.028 1.00 51.01 H new ATOM 0 HA CYS A 132 21.712 8.805 -17.802 1.00 13.10 H new ATOM 0 HB2 CYS A 132 20.197 10.427 -15.860 1.00 74.22 H new ATOM 0 HB3 CYS A 132 20.253 11.148 -17.456 1.00 74.22 H new TER 567 CYS A 132