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 -36:sc= 0.0207! USER MOD Single : A 98 ASN : amide:sc=-0.000143 K(o=-0.00014,f=-1) USER MOD Single : A 99 SER OG : rot 180:sc= 0 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 165:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= -0.0322 K(o=-0.032,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.836 20.199 -20.161 1.00 31.33 N ATOM 2 CA CYS A 93 9.056 20.042 -18.728 1.00 73.03 C ATOM 3 C CYS A 93 10.458 20.501 -18.340 1.00 14.32 C ATOM 4 O CYS A 93 11.215 20.994 -19.175 1.00 1.22 O ATOM 5 CB CYS A 93 8.854 18.582 -18.317 1.00 51.24 C ATOM 6 SG CYS A 93 9.597 17.377 -19.463 1.00 73.34 S ATOM 0 HA CYS A 93 8.331 20.664 -18.204 1.00 73.03 H new ATOM 0 HB2 CYS A 93 9.279 18.433 -17.324 1.00 51.24 H new ATOM 0 HB3 CYS A 93 7.785 18.382 -18.239 1.00 51.24 H new ATOM 11 N VAL A 94 10.796 20.336 -17.064 1.00 44.33 N ATOM 12 CA VAL A 94 12.107 20.733 -16.564 1.00 50.42 C ATOM 13 C VAL A 94 13.163 19.687 -16.899 1.00 72.43 C ATOM 14 O VAL A 94 13.053 18.528 -16.498 1.00 41.41 O ATOM 15 CB VAL A 94 12.083 20.952 -15.039 1.00 60.54 C ATOM 16 CG1 VAL A 94 13.452 20.671 -14.439 1.00 35.03 C ATOM 17 CG2 VAL A 94 11.628 22.365 -14.712 1.00 54.31 C ATOM 0 H VAL A 94 10.180 19.931 -16.359 1.00 44.33 H new ATOM 0 HA VAL A 94 12.362 21.672 -17.055 1.00 50.42 H new ATOM 0 HB VAL A 94 11.370 20.255 -14.599 1.00 60.54 H new ATOM 0 HG11 VAL A 94 13.417 20.831 -13.361 1.00 35.03 H new ATOM 0 HG12 VAL A 94 13.734 19.638 -14.644 1.00 35.03 H new ATOM 0 HG13 VAL A 94 14.188 21.342 -14.881 1.00 35.03 H new ATOM 0 HG21 VAL A 94 11.617 22.503 -13.631 1.00 54.31 H new ATOM 0 HG22 VAL A 94 12.315 23.082 -15.162 1.00 54.31 H new ATOM 0 HG23 VAL A 94 10.625 22.525 -15.109 1.00 54.31 H new ATOM 27 N ALA A 95 14.186 20.102 -17.639 1.00 65.50 N ATOM 28 CA ALA A 95 15.264 19.201 -18.027 1.00 22.44 C ATOM 29 C ALA A 95 16.036 18.709 -16.806 1.00 14.30 C ATOM 30 O ALA A 95 15.977 17.531 -16.454 1.00 72.02 O ATOM 31 CB ALA A 95 16.204 19.891 -19.004 1.00 61.12 C ATOM 0 H ALA A 95 14.291 21.057 -17.982 1.00 65.50 H new ATOM 0 HA ALA A 95 14.820 18.335 -18.517 1.00 22.44 H new ATOM 0 HB1 ALA A 95 17.004 19.206 -19.285 1.00 61.12 H new ATOM 0 HB2 ALA A 95 15.650 20.186 -19.895 1.00 61.12 H new ATOM 0 HB3 ALA A 95 16.633 20.776 -18.533 1.00 61.12 H new ATOM 37 N THR A 96 16.760 19.621 -16.163 1.00 75.11 N ATOM 38 CA THR A 96 17.543 19.280 -14.983 1.00 30.32 C ATOM 39 C THR A 96 17.935 20.530 -14.203 1.00 42.14 C ATOM 40 O THR A 96 18.141 21.596 -14.784 1.00 61.24 O ATOM 41 CB THR A 96 18.819 18.503 -15.361 1.00 1.33 C ATOM 42 OG1 THR A 96 18.535 17.579 -16.417 1.00 60.33 O ATOM 43 CG2 THR A 96 19.371 17.752 -14.159 1.00 4.11 C ATOM 0 H THR A 96 16.820 20.601 -16.440 1.00 75.11 H new ATOM 0 HA THR A 96 16.913 18.648 -14.357 1.00 30.32 H new ATOM 0 HB THR A 96 19.568 19.220 -15.697 1.00 1.33 H new ATOM 0 HG1 THR A 96 17.633 17.215 -16.299 1.00 60.33 H new ATOM 0 HG21 THR A 96 20.271 17.211 -14.450 1.00 4.11 H new ATOM 0 HG22 THR A 96 19.613 18.461 -13.367 1.00 4.11 H new ATOM 0 HG23 THR A 96 18.624 17.045 -13.797 1.00 4.11 H new ATOM 51 N ARG A 97 18.038 20.392 -12.886 1.00 22.23 N ATOM 52 CA ARG A 97 18.406 21.511 -12.027 1.00 63.11 C ATOM 53 C ARG A 97 17.773 22.808 -12.523 1.00 71.50 C ATOM 54 O ARG A 97 18.424 23.851 -12.563 1.00 53.22 O ATOM 55 CB ARG A 97 19.928 21.662 -11.972 1.00 35.22 C ATOM 56 CG ARG A 97 20.545 22.092 -13.292 1.00 73.11 C ATOM 57 CD ARG A 97 20.991 20.894 -14.115 1.00 63.05 C ATOM 58 NE ARG A 97 22.445 20.768 -14.155 1.00 41.13 N ATOM 59 CZ ARG A 97 23.100 20.096 -15.096 1.00 21.15 C ATOM 60 NH1 ARG A 97 22.432 19.491 -16.069 1.00 3.43 N ATOM 61 NH2 ARG A 97 24.424 20.026 -15.063 1.00 41.13 N ATOM 0 H ARG A 97 17.872 19.516 -12.390 1.00 22.23 H new ATOM 0 HA ARG A 97 18.032 21.304 -11.024 1.00 63.11 H new ATOM 0 HB2 ARG A 97 20.185 22.393 -11.205 1.00 35.22 H new ATOM 0 HB3 ARG A 97 20.368 20.713 -11.667 1.00 35.22 H new ATOM 0 HG2 ARG A 97 19.821 22.676 -13.860 1.00 73.11 H new ATOM 0 HG3 ARG A 97 21.399 22.742 -13.101 1.00 73.11 H new ATOM 0 HD2 ARG A 97 20.560 19.985 -13.695 1.00 63.05 H new ATOM 0 HD3 ARG A 97 20.607 20.989 -15.131 1.00 63.05 H new ATOM 0 HE ARG A 97 22.988 21.221 -13.420 1.00 41.13 H new ATOM 0 HH11 ARG A 97 21.414 19.541 -16.096 1.00 3.43 H new ATOM 0 HH12 ARG A 97 22.937 18.976 -16.790 1.00 3.43 H new ATOM 0 HH21 ARG A 97 24.941 20.488 -14.315 1.00 41.13 H new ATOM 0 HH22 ARG A 97 24.926 19.510 -15.786 1.00 41.13 H new ATOM 75 N ASN A 98 16.501 22.733 -12.900 1.00 70.40 N ATOM 76 CA ASN A 98 15.781 23.901 -13.395 1.00 71.12 C ATOM 77 C ASN A 98 14.807 24.425 -12.344 1.00 11.32 C ATOM 78 O ASN A 98 15.001 25.507 -11.789 1.00 14.22 O ATOM 79 CB ASN A 98 15.024 23.552 -14.678 1.00 42.43 C ATOM 80 CG ASN A 98 14.825 24.757 -15.577 1.00 44.51 C ATOM 81 OD1 ASN A 98 14.851 25.900 -15.117 1.00 72.21 O ATOM 82 ND2 ASN A 98 14.624 24.508 -16.866 1.00 43.21 N ATOM 0 H ASN A 98 15.948 21.877 -12.872 1.00 70.40 H new ATOM 0 HA ASN A 98 16.510 24.682 -13.611 1.00 71.12 H new ATOM 0 HB2 ASN A 98 15.572 22.783 -15.222 1.00 42.43 H new ATOM 0 HB3 ASN A 98 14.053 23.130 -14.420 1.00 42.43 H new ATOM 0 HD21 ASN A 98 14.483 25.279 -17.519 1.00 43.21 H new ATOM 0 HD22 ASN A 98 14.610 23.546 -17.203 1.00 43.21 H new ATOM 89 N SER A 99 13.761 23.650 -12.075 1.00 3.42 N ATOM 90 CA SER A 99 12.756 24.037 -11.093 1.00 12.24 C ATOM 91 C SER A 99 12.063 22.808 -10.511 1.00 0.31 C ATOM 92 O SER A 99 11.861 21.809 -11.202 1.00 42.41 O ATOM 93 CB SER A 99 11.721 24.966 -11.730 1.00 1.32 C ATOM 94 OG SER A 99 10.725 25.339 -10.794 1.00 34.43 O ATOM 0 H SER A 99 13.588 22.750 -12.524 1.00 3.42 H new ATOM 0 HA SER A 99 13.259 24.566 -10.284 1.00 12.24 H new ATOM 0 HB2 SER A 99 12.216 25.858 -12.114 1.00 1.32 H new ATOM 0 HB3 SER A 99 11.256 24.468 -12.581 1.00 1.32 H new ATOM 0 HG SER A 99 10.077 25.934 -11.226 1.00 34.43 H new ATOM 100 N CYS A 100 11.701 22.890 -9.235 1.00 75.14 N ATOM 101 CA CYS A 100 11.031 21.786 -8.558 1.00 1.03 C ATOM 102 C CYS A 100 9.521 22.004 -8.525 1.00 11.31 C ATOM 103 O CYS A 100 8.995 22.892 -9.197 1.00 2.41 O ATOM 104 CB CYS A 100 11.567 21.635 -7.133 1.00 21.21 C ATOM 105 SG CYS A 100 12.682 20.212 -6.905 1.00 24.12 S ATOM 0 H CYS A 100 11.860 23.710 -8.649 1.00 75.14 H new ATOM 0 HA CYS A 100 11.236 20.872 -9.115 1.00 1.03 H new ATOM 0 HB2 CYS A 100 12.097 22.546 -6.857 1.00 21.21 H new ATOM 0 HB3 CYS A 100 10.725 21.537 -6.448 1.00 21.21 H new ATOM 110 N LYS A 101 8.828 21.188 -7.739 1.00 11.34 N ATOM 111 CA LYS A 101 7.379 21.290 -7.615 1.00 2.35 C ATOM 112 C LYS A 101 6.691 20.853 -8.904 1.00 55.25 C ATOM 113 O LYS A 101 6.201 21.671 -9.682 1.00 41.23 O ATOM 114 CB LYS A 101 6.976 22.726 -7.271 1.00 51.22 C ATOM 115 CG LYS A 101 7.868 23.374 -6.226 1.00 51.34 C ATOM 116 CD LYS A 101 7.941 22.538 -4.959 1.00 11.41 C ATOM 117 CE LYS A 101 8.813 23.200 -3.904 1.00 23.34 C ATOM 118 NZ LYS A 101 8.441 22.771 -2.527 1.00 51.14 N ATOM 0 H LYS A 101 9.247 20.447 -7.177 1.00 11.34 H new ATOM 0 HA LYS A 101 7.060 20.627 -6.811 1.00 2.35 H new ATOM 0 HB2 LYS A 101 6.998 23.328 -8.179 1.00 51.22 H new ATOM 0 HB3 LYS A 101 5.947 22.729 -6.911 1.00 51.22 H new ATOM 0 HG2 LYS A 101 8.870 23.507 -6.634 1.00 51.34 H new ATOM 0 HG3 LYS A 101 7.487 24.367 -5.986 1.00 51.34 H new ATOM 0 HD2 LYS A 101 6.937 22.389 -4.562 1.00 11.41 H new ATOM 0 HD3 LYS A 101 8.340 21.551 -5.195 1.00 11.41 H new ATOM 0 HE2 LYS A 101 9.858 22.954 -4.091 1.00 23.34 H new ATOM 0 HE3 LYS A 101 8.721 24.283 -3.984 1.00 23.34 H new ATOM 0 HZ1 LYS A 101 9.059 23.244 -1.837 1.00 51.14 H new ATOM 0 HZ2 LYS A 101 7.451 23.028 -2.339 1.00 51.14 H new ATOM 0 HZ3 LYS A 101 8.553 21.741 -2.442 1.00 51.14 H new ATOM 132 N PRO A 102 6.651 19.533 -9.135 1.00 42.35 N ATOM 133 CA PRO A 102 6.023 18.957 -10.329 1.00 41.12 C ATOM 134 C PRO A 102 4.505 19.099 -10.310 1.00 52.55 C ATOM 135 O PRO A 102 3.781 18.110 -10.208 1.00 33.03 O ATOM 136 CB PRO A 102 6.423 17.481 -10.263 1.00 40.11 C ATOM 137 CG PRO A 102 6.668 17.219 -8.817 1.00 53.13 C ATOM 138 CD PRO A 102 7.215 18.500 -8.250 1.00 73.44 C ATOM 0 HA PRO A 102 6.344 19.459 -11.242 1.00 41.12 H new ATOM 0 HB2 PRO A 102 5.633 16.839 -10.653 1.00 40.11 H new ATOM 0 HB3 PRO A 102 7.316 17.286 -10.857 1.00 40.11 H new ATOM 0 HG2 PRO A 102 5.747 16.931 -8.311 1.00 53.13 H new ATOM 0 HG3 PRO A 102 7.375 16.400 -8.683 1.00 53.13 H new ATOM 0 HD2 PRO A 102 6.906 18.645 -7.215 1.00 73.44 H new ATOM 0 HD3 PRO A 102 8.305 18.512 -8.262 1.00 73.44 H new ATOM 146 N ALA A 103 4.030 20.336 -10.413 1.00 14.24 N ATOM 147 CA ALA A 103 2.597 20.607 -10.410 1.00 52.21 C ATOM 148 C ALA A 103 2.180 21.367 -11.665 1.00 35.34 C ATOM 149 O ALA A 103 1.126 21.099 -12.241 1.00 42.44 O ATOM 150 CB ALA A 103 2.210 21.389 -9.164 1.00 31.23 C ATOM 0 H ALA A 103 4.616 21.166 -10.500 1.00 14.24 H new ATOM 0 HA ALA A 103 2.072 19.652 -10.403 1.00 52.21 H new ATOM 0 HB1 ALA A 103 1.138 21.584 -9.175 1.00 31.23 H new ATOM 0 HB2 ALA A 103 2.464 20.809 -8.277 1.00 31.23 H new ATOM 0 HB3 ALA A 103 2.751 22.335 -9.146 1.00 31.23 H new ATOM 156 N ALA A 104 3.013 22.314 -12.082 1.00 4.11 N ATOM 157 CA ALA A 104 2.731 23.111 -13.269 1.00 40.13 C ATOM 158 C ALA A 104 3.177 22.387 -14.535 1.00 43.12 C ATOM 159 O ALA A 104 3.094 22.932 -15.635 1.00 14.41 O ATOM 160 CB ALA A 104 3.411 24.468 -13.167 1.00 55.14 C ATOM 0 H ALA A 104 3.889 22.548 -11.615 1.00 4.11 H new ATOM 0 HA ALA A 104 1.653 23.261 -13.328 1.00 40.13 H new ATOM 0 HB1 ALA A 104 3.192 25.053 -14.060 1.00 55.14 H new ATOM 0 HB2 ALA A 104 3.040 24.995 -12.288 1.00 55.14 H new ATOM 0 HB3 ALA A 104 4.489 24.329 -13.079 1.00 55.14 H new ATOM 166 N ALA A 105 3.653 21.157 -14.371 1.00 23.32 N ATOM 167 CA ALA A 105 4.112 20.359 -15.501 1.00 73.11 C ATOM 168 C ALA A 105 5.520 20.764 -15.924 1.00 44.10 C ATOM 169 O ALA A 105 5.779 21.006 -17.103 1.00 14.02 O ATOM 170 CB ALA A 105 3.148 20.496 -16.670 1.00 30.41 C ATOM 0 H ALA A 105 3.731 20.692 -13.467 1.00 23.32 H new ATOM 0 HA ALA A 105 4.141 19.315 -15.188 1.00 73.11 H new ATOM 0 HB1 ALA A 105 3.503 19.895 -17.507 1.00 30.41 H new ATOM 0 HB2 ALA A 105 2.159 20.150 -16.369 1.00 30.41 H new ATOM 0 HB3 ALA A 105 3.090 21.541 -16.973 1.00 30.41 H new ATOM 176 N ALA A 106 6.426 20.836 -14.955 1.00 23.31 N ATOM 177 CA ALA A 106 7.809 21.211 -15.227 1.00 52.23 C ATOM 178 C ALA A 106 8.778 20.366 -14.408 1.00 53.32 C ATOM 179 O ALA A 106 9.485 20.881 -13.540 1.00 74.45 O ATOM 180 CB ALA A 106 8.021 22.690 -14.941 1.00 35.15 C ATOM 0 H ALA A 106 6.228 20.640 -13.974 1.00 23.31 H new ATOM 0 HA ALA A 106 8.009 21.025 -16.282 1.00 52.23 H new ATOM 0 HB1 ALA A 106 9.058 22.956 -15.148 1.00 35.15 H new ATOM 0 HB2 ALA A 106 7.361 23.282 -15.575 1.00 35.15 H new ATOM 0 HB3 ALA A 106 7.797 22.894 -13.894 1.00 35.15 H new ATOM 186 N CYS A 107 8.807 19.067 -14.688 1.00 15.52 N ATOM 187 CA CYS A 107 9.688 18.151 -13.976 1.00 62.24 C ATOM 188 C CYS A 107 9.456 16.712 -14.428 1.00 62.02 C ATOM 189 O CYS A 107 8.725 15.957 -13.785 1.00 41.34 O ATOM 190 CB CYS A 107 9.467 18.265 -12.467 1.00 21.31 C ATOM 191 SG CYS A 107 10.917 18.871 -11.545 1.00 55.35 S ATOM 0 H CYS A 107 8.230 18.626 -15.404 1.00 15.52 H new ATOM 0 HA CYS A 107 10.718 18.425 -14.206 1.00 62.24 H new ATOM 0 HB2 CYS A 107 8.627 18.935 -12.283 1.00 21.31 H new ATOM 0 HB3 CYS A 107 9.185 17.287 -12.077 1.00 21.31 H new ATOM 196 N CYS A 108 10.084 16.337 -15.537 1.00 51.45 N ATOM 197 CA CYS A 108 9.947 14.990 -16.077 1.00 72.44 C ATOM 198 C CYS A 108 11.230 14.189 -15.873 1.00 25.21 C ATOM 199 O CYS A 108 12.134 14.619 -15.156 1.00 65.41 O ATOM 200 CB CYS A 108 9.599 15.046 -17.566 1.00 3.33 C ATOM 201 SG CYS A 108 10.750 16.050 -18.560 1.00 23.04 S ATOM 0 H CYS A 108 10.694 16.948 -16.080 1.00 51.45 H new ATOM 0 HA CYS A 108 9.139 14.492 -15.541 1.00 72.44 H new ATOM 0 HB2 CYS A 108 9.583 14.031 -17.963 1.00 3.33 H new ATOM 0 HB3 CYS A 108 8.592 15.448 -17.678 1.00 3.33 H new ATOM 206 N ASP A 109 11.301 13.024 -16.508 1.00 41.31 N ATOM 207 CA ASP A 109 12.473 12.164 -16.398 1.00 31.32 C ATOM 208 C ASP A 109 12.554 11.529 -15.013 1.00 14.52 C ATOM 209 O ASP A 109 12.880 12.183 -14.022 1.00 13.13 O ATOM 210 CB ASP A 109 13.747 12.962 -16.682 1.00 32.24 C ATOM 211 CG ASP A 109 13.553 13.989 -17.779 1.00 10.21 C ATOM 212 OD1 ASP A 109 13.057 13.614 -18.862 1.00 60.10 O ATOM 213 OD2 ASP A 109 13.899 15.169 -17.556 1.00 0.13 O ATOM 0 H ASP A 109 10.561 12.654 -17.104 1.00 41.31 H new ATOM 0 HA ASP A 109 12.379 11.369 -17.138 1.00 31.32 H new ATOM 0 HB2 ASP A 109 14.068 13.465 -15.770 1.00 32.24 H new ATOM 0 HB3 ASP A 109 14.546 12.277 -16.967 1.00 32.24 H new ATOM 218 N PRO A 110 12.248 10.225 -14.940 1.00 0.21 N ATOM 219 CA PRO A 110 12.277 9.475 -13.681 1.00 25.51 C ATOM 220 C PRO A 110 13.697 9.272 -13.161 1.00 14.35 C ATOM 221 O PRO A 110 13.898 8.767 -12.055 1.00 52.15 O ATOM 222 CB PRO A 110 11.647 8.131 -14.055 1.00 25.41 C ATOM 223 CG PRO A 110 11.895 7.990 -15.518 1.00 3.44 C ATOM 224 CD PRO A 110 11.851 9.384 -16.081 1.00 34.44 C ATOM 0 HA PRO A 110 11.753 9.999 -12.881 1.00 25.51 H new ATOM 0 HB2 PRO A 110 12.100 7.312 -13.496 1.00 25.41 H new ATOM 0 HB3 PRO A 110 10.580 8.118 -13.831 1.00 25.41 H new ATOM 0 HG2 PRO A 110 12.862 7.523 -15.707 1.00 3.44 H new ATOM 0 HG3 PRO A 110 11.139 7.357 -15.983 1.00 3.44 H new ATOM 0 HD2 PRO A 110 12.534 9.499 -16.922 1.00 34.44 H new ATOM 0 HD3 PRO A 110 10.855 9.640 -16.442 1.00 34.44 H new ATOM 232 N CYS A 111 14.678 9.668 -13.963 1.00 4.22 N ATOM 233 CA CYS A 111 16.079 9.531 -13.584 1.00 25.12 C ATOM 234 C CYS A 111 16.524 10.700 -12.710 1.00 60.52 C ATOM 235 O CYS A 111 17.609 10.676 -12.129 1.00 54.22 O ATOM 236 CB CYS A 111 16.961 9.448 -14.831 1.00 62.41 C ATOM 237 SG CYS A 111 17.524 7.763 -15.235 1.00 34.35 S ATOM 0 H CYS A 111 14.529 10.087 -14.881 1.00 4.22 H new ATOM 0 HA CYS A 111 16.185 8.610 -13.010 1.00 25.12 H new ATOM 0 HB2 CYS A 111 16.408 9.848 -15.681 1.00 62.41 H new ATOM 0 HB3 CYS A 111 17.833 10.086 -14.689 1.00 62.41 H new ATOM 242 N ALA A 112 15.679 11.721 -12.623 1.00 15.14 N ATOM 243 CA ALA A 112 15.983 12.898 -11.818 1.00 13.31 C ATOM 244 C ALA A 112 15.149 12.921 -10.541 1.00 25.13 C ATOM 245 O ALA A 112 14.166 12.191 -10.418 1.00 14.31 O ATOM 246 CB ALA A 112 15.747 14.165 -12.627 1.00 42.13 C ATOM 0 H ALA A 112 14.778 11.757 -13.100 1.00 15.14 H new ATOM 0 HA ALA A 112 17.034 12.851 -11.533 1.00 13.31 H new ATOM 0 HB1 ALA A 112 15.978 15.036 -12.014 1.00 42.13 H new ATOM 0 HB2 ALA A 112 16.390 14.160 -13.507 1.00 42.13 H new ATOM 0 HB3 ALA A 112 14.704 14.208 -12.940 1.00 42.13 H new ATOM 252 N SER A 113 15.550 13.762 -9.593 1.00 61.42 N ATOM 253 CA SER A 113 14.843 13.876 -8.323 1.00 51.32 C ATOM 254 C SER A 113 14.840 15.320 -7.831 1.00 5.03 C ATOM 255 O SER A 113 15.750 16.092 -8.132 1.00 44.34 O ATOM 256 CB SER A 113 15.486 12.968 -7.274 1.00 3.54 C ATOM 257 OG SER A 113 14.888 13.155 -6.003 1.00 13.11 O ATOM 0 H SER A 113 16.361 14.374 -9.681 1.00 61.42 H new ATOM 0 HA SER A 113 13.811 13.562 -8.480 1.00 51.32 H new ATOM 0 HB2 SER A 113 15.383 11.926 -7.578 1.00 3.54 H new ATOM 0 HB3 SER A 113 16.554 13.178 -7.212 1.00 3.54 H new ATOM 0 HG SER A 113 15.315 12.562 -5.350 1.00 13.11 H new ATOM 263 N CYS A 114 13.810 15.677 -7.071 1.00 3.15 N ATOM 264 CA CYS A 114 13.687 17.028 -6.536 1.00 21.13 C ATOM 265 C CYS A 114 14.729 17.280 -5.450 1.00 51.31 C ATOM 266 O CYS A 114 14.582 16.823 -4.315 1.00 42.33 O ATOM 267 CB CYS A 114 12.282 17.248 -5.970 1.00 42.23 C ATOM 268 SG CYS A 114 11.916 18.981 -5.543 1.00 65.14 S ATOM 0 H CYS A 114 13.049 15.050 -6.812 1.00 3.15 H new ATOM 0 HA CYS A 114 13.859 17.732 -7.350 1.00 21.13 H new ATOM 0 HB2 CYS A 114 11.550 16.902 -6.700 1.00 42.23 H new ATOM 0 HB3 CYS A 114 12.160 16.632 -5.079 1.00 42.23 H new ATOM 273 N TYR A 115 15.781 18.009 -5.805 1.00 53.40 N ATOM 274 CA TYR A 115 16.849 18.320 -4.863 1.00 13.22 C ATOM 275 C TYR A 115 16.819 19.795 -4.472 1.00 54.12 C ATOM 276 O TYR A 115 16.468 20.656 -5.280 1.00 4.43 O ATOM 277 CB TYR A 115 18.209 17.970 -5.468 1.00 4.34 C ATOM 278 CG TYR A 115 19.374 18.625 -4.759 1.00 21.01 C ATOM 279 CD1 TYR A 115 19.919 18.063 -3.611 1.00 41.43 C ATOM 280 CD2 TYR A 115 19.930 19.804 -5.239 1.00 53.03 C ATOM 281 CE1 TYR A 115 20.982 18.659 -2.961 1.00 14.33 C ATOM 282 CE2 TYR A 115 20.995 20.406 -4.596 1.00 54.11 C ATOM 283 CZ TYR A 115 21.517 19.830 -3.457 1.00 34.41 C ATOM 284 OH TYR A 115 22.577 20.425 -2.813 1.00 11.52 O ATOM 0 H TYR A 115 15.917 18.396 -6.739 1.00 53.40 H new ATOM 0 HA TYR A 115 16.692 17.721 -3.966 1.00 13.22 H new ATOM 0 HB2 TYR A 115 18.341 16.888 -5.443 1.00 4.34 H new ATOM 0 HB3 TYR A 115 18.218 18.268 -6.516 1.00 4.34 H new ATOM 0 HD1 TYR A 115 19.505 17.145 -3.221 1.00 41.43 H new ATOM 0 HD2 TYR A 115 19.523 20.258 -6.130 1.00 53.03 H new ATOM 0 HE1 TYR A 115 21.393 18.210 -2.068 1.00 14.33 H new ATOM 0 HE2 TYR A 115 21.416 21.322 -4.983 1.00 54.11 H new ATOM 0 HH TYR A 115 22.834 21.241 -3.291 1.00 11.52 H new ATOM 294 N CYS A 116 17.187 20.078 -3.228 1.00 43.32 N ATOM 295 CA CYS A 116 17.204 21.448 -2.728 1.00 14.24 C ATOM 296 C CYS A 116 18.593 21.826 -2.222 1.00 15.24 C ATOM 297 O CYS A 116 19.397 20.959 -1.881 1.00 23.23 O ATOM 298 CB CYS A 116 16.177 21.614 -1.605 1.00 41.04 C ATOM 299 SG CYS A 116 14.498 21.060 -2.044 1.00 34.41 S ATOM 0 H CYS A 116 17.478 19.377 -2.547 1.00 43.32 H new ATOM 0 HA CYS A 116 16.944 22.113 -3.552 1.00 14.24 H new ATOM 0 HB2 CYS A 116 16.516 21.056 -0.732 1.00 41.04 H new ATOM 0 HB3 CYS A 116 16.137 22.664 -1.316 1.00 41.04 H new ATOM 304 N ARG A 117 18.866 23.126 -2.176 1.00 33.31 N ATOM 305 CA ARG A 117 20.157 23.619 -1.713 1.00 30.33 C ATOM 306 C ARG A 117 19.985 24.562 -0.526 1.00 23.22 C ATOM 307 O ARG A 117 18.900 24.665 0.046 1.00 13.32 O ATOM 308 CB ARG A 117 20.888 24.339 -2.848 1.00 21.43 C ATOM 309 CG ARG A 117 19.986 25.229 -3.685 1.00 64.15 C ATOM 310 CD ARG A 117 19.721 26.558 -2.997 1.00 53.55 C ATOM 311 NE ARG A 117 19.616 27.658 -3.953 1.00 72.24 N ATOM 312 CZ ARG A 117 18.624 27.779 -4.828 1.00 74.02 C ATOM 313 NH1 ARG A 117 17.657 26.873 -4.868 1.00 74.22 N ATOM 314 NH2 ARG A 117 18.597 28.808 -5.666 1.00 60.54 N ATOM 0 H ARG A 117 18.210 23.856 -2.454 1.00 33.31 H new ATOM 0 HA ARG A 117 20.751 22.763 -1.392 1.00 30.33 H new ATOM 0 HB2 ARG A 117 21.690 24.944 -2.426 1.00 21.43 H new ATOM 0 HB3 ARG A 117 21.355 23.597 -3.496 1.00 21.43 H new ATOM 0 HG2 ARG A 117 20.448 25.407 -4.656 1.00 64.15 H new ATOM 0 HG3 ARG A 117 19.041 24.719 -3.870 1.00 64.15 H new ATOM 0 HD2 ARG A 117 18.799 26.490 -2.420 1.00 53.55 H new ATOM 0 HD3 ARG A 117 20.524 26.767 -2.291 1.00 53.55 H new ATOM 0 HE ARG A 117 20.344 28.372 -3.948 1.00 72.24 H new ATOM 0 HH11 ARG A 117 17.674 26.081 -4.226 1.00 74.22 H new ATOM 0 HH12 ARG A 117 16.896 26.968 -5.541 1.00 74.22 H new ATOM 0 HH21 ARG A 117 19.339 29.508 -5.639 1.00 60.54 H new ATOM 0 HH22 ARG A 117 17.834 28.899 -6.337 1.00 60.54 H new ATOM 328 N PHE A 118 21.064 25.247 -0.160 1.00 14.13 N ATOM 329 CA PHE A 118 21.032 26.180 0.961 1.00 2.21 C ATOM 330 C PHE A 118 19.692 26.904 1.028 1.00 55.30 C ATOM 331 O PHE A 118 18.956 26.785 2.009 1.00 22.33 O ATOM 332 CB PHE A 118 22.168 27.198 0.836 1.00 60.54 C ATOM 333 CG PHE A 118 23.440 26.762 1.507 1.00 61.25 C ATOM 334 CD1 PHE A 118 23.949 25.490 1.298 1.00 74.11 C ATOM 335 CD2 PHE A 118 24.126 27.624 2.347 1.00 51.21 C ATOM 336 CE1 PHE A 118 25.118 25.086 1.914 1.00 14.15 C ATOM 337 CE2 PHE A 118 25.296 27.226 2.966 1.00 54.03 C ATOM 338 CZ PHE A 118 25.793 25.955 2.748 1.00 11.34 C ATOM 0 H PHE A 118 21.970 25.174 -0.623 1.00 14.13 H new ATOM 0 HA PHE A 118 21.163 25.609 1.880 1.00 2.21 H new ATOM 0 HB2 PHE A 118 22.368 27.380 -0.220 1.00 60.54 H new ATOM 0 HB3 PHE A 118 21.845 28.146 1.267 1.00 60.54 H new ATOM 0 HD1 PHE A 118 23.426 24.806 0.646 1.00 74.11 H new ATOM 0 HD2 PHE A 118 23.742 28.619 2.520 1.00 51.21 H new ATOM 0 HE1 PHE A 118 25.503 24.092 1.743 1.00 14.15 H new ATOM 0 HE2 PHE A 118 25.821 27.907 3.619 1.00 54.03 H new ATOM 0 HZ PHE A 118 26.708 25.642 3.229 1.00 11.34 H new ATOM 348 N PHE A 119 19.378 27.657 -0.021 1.00 64.12 N ATOM 349 CA PHE A 119 18.127 28.403 -0.082 1.00 15.01 C ATOM 350 C PHE A 119 16.952 27.529 0.346 1.00 71.31 C ATOM 351 O PHE A 119 16.154 27.916 1.200 1.00 30.22 O ATOM 352 CB PHE A 119 17.892 28.935 -1.497 1.00 25.31 C ATOM 353 CG PHE A 119 17.184 30.259 -1.531 1.00 25.42 C ATOM 354 CD1 PHE A 119 17.694 31.349 -0.845 1.00 44.41 C ATOM 355 CD2 PHE A 119 16.010 30.413 -2.250 1.00 1.15 C ATOM 356 CE1 PHE A 119 17.044 32.569 -0.873 1.00 74.21 C ATOM 357 CE2 PHE A 119 15.355 31.630 -2.282 1.00 63.10 C ATOM 358 CZ PHE A 119 15.874 32.709 -1.594 1.00 3.15 C ATOM 0 H PHE A 119 19.974 27.767 -0.842 1.00 64.12 H new ATOM 0 HA PHE A 119 18.202 29.245 0.606 1.00 15.01 H new ATOM 0 HB2 PHE A 119 18.852 29.033 -2.004 1.00 25.31 H new ATOM 0 HB3 PHE A 119 17.308 28.206 -2.058 1.00 25.31 H new ATOM 0 HD1 PHE A 119 18.610 31.245 -0.282 1.00 44.41 H new ATOM 0 HD2 PHE A 119 15.602 29.573 -2.792 1.00 1.15 H new ATOM 0 HE1 PHE A 119 17.450 33.411 -0.332 1.00 74.21 H new ATOM 0 HE2 PHE A 119 14.439 31.737 -2.844 1.00 63.10 H new ATOM 0 HZ PHE A 119 15.366 33.662 -1.620 1.00 3.15 H new ATOM 368 N ARG A 120 16.851 26.347 -0.255 1.00 70.01 N ATOM 369 CA ARG A 120 15.773 25.418 0.061 1.00 62.54 C ATOM 370 C ARG A 120 14.418 26.011 -0.313 1.00 20.43 C ATOM 371 O ARG A 120 13.375 25.528 0.129 1.00 2.35 O ATOM 372 CB ARG A 120 15.795 25.066 1.549 1.00 11.34 C ATOM 373 CG ARG A 120 15.190 23.708 1.863 1.00 32.33 C ATOM 374 CD ARG A 120 16.249 22.617 1.886 1.00 21.23 C ATOM 375 NE ARG A 120 17.105 22.711 3.066 1.00 3.34 N ATOM 376 CZ ARG A 120 18.010 21.796 3.392 1.00 22.32 C ATOM 377 NH1 ARG A 120 18.178 20.723 2.631 1.00 42.40 N ATOM 378 NH2 ARG A 120 18.751 21.952 4.482 1.00 62.25 N ATOM 0 H ARG A 120 17.503 26.011 -0.964 1.00 70.01 H new ATOM 0 HA ARG A 120 15.926 24.510 -0.522 1.00 62.54 H new ATOM 0 HB2 ARG A 120 16.826 25.086 1.903 1.00 11.34 H new ATOM 0 HB3 ARG A 120 15.253 25.833 2.103 1.00 11.34 H new ATOM 0 HG2 ARG A 120 14.686 23.748 2.829 1.00 32.33 H new ATOM 0 HG3 ARG A 120 14.432 23.465 1.118 1.00 32.33 H new ATOM 0 HD2 ARG A 120 15.764 21.641 1.866 1.00 21.23 H new ATOM 0 HD3 ARG A 120 16.862 22.687 0.987 1.00 21.23 H new ATOM 0 HE ARG A 120 17.002 23.524 3.673 1.00 3.34 H new ATOM 0 HH11 ARG A 120 17.611 20.599 1.792 1.00 42.40 H new ATOM 0 HH12 ARG A 120 18.874 20.022 2.884 1.00 42.40 H new ATOM 0 HH21 ARG A 120 18.626 22.776 5.070 1.00 62.25 H new ATOM 0 HH22 ARG A 120 19.446 21.248 4.731 1.00 62.25 H new ATOM 392 N SER A 121 14.441 27.060 -1.129 1.00 75.40 N ATOM 393 CA SER A 121 13.214 27.721 -1.558 1.00 62.52 C ATOM 394 C SER A 121 13.038 27.610 -3.070 1.00 53.31 C ATOM 395 O SER A 121 11.919 27.647 -3.579 1.00 75.45 O ATOM 396 CB SER A 121 13.231 29.193 -1.142 1.00 31.22 C ATOM 397 OG SER A 121 11.998 29.570 -0.553 1.00 11.44 O ATOM 0 H SER A 121 15.295 27.470 -1.506 1.00 75.40 H new ATOM 0 HA SER A 121 12.373 27.224 -1.074 1.00 62.52 H new ATOM 0 HB2 SER A 121 14.043 29.365 -0.436 1.00 31.22 H new ATOM 0 HB3 SER A 121 13.428 29.818 -2.013 1.00 31.22 H new ATOM 0 HG SER A 121 12.034 30.514 -0.294 1.00 11.44 H new ATOM 403 N ALA A 122 14.152 27.476 -3.780 1.00 60.44 N ATOM 404 CA ALA A 122 14.123 27.357 -5.233 1.00 51.23 C ATOM 405 C ALA A 122 14.670 26.008 -5.686 1.00 54.34 C ATOM 406 O ALA A 122 15.551 25.939 -6.544 1.00 55.13 O ATOM 407 CB ALA A 122 14.913 28.490 -5.871 1.00 62.25 C ATOM 0 H ALA A 122 15.087 27.447 -3.373 1.00 60.44 H new ATOM 0 HA ALA A 122 13.084 27.425 -5.557 1.00 51.23 H new ATOM 0 HB1 ALA A 122 14.883 28.389 -6.956 1.00 62.25 H new ATOM 0 HB2 ALA A 122 14.475 29.446 -5.584 1.00 62.25 H new ATOM 0 HB3 ALA A 122 15.948 28.448 -5.531 1.00 62.25 H new ATOM 413 N CYS A 123 14.143 24.936 -5.103 1.00 61.42 N ATOM 414 CA CYS A 123 14.579 23.587 -5.446 1.00 1.45 C ATOM 415 C CYS A 123 14.411 23.324 -6.939 1.00 51.12 C ATOM 416 O CYS A 123 13.673 24.032 -7.626 1.00 24.54 O ATOM 417 CB CYS A 123 13.787 22.554 -4.642 1.00 62.13 C ATOM 418 SG CYS A 123 13.776 22.858 -2.846 1.00 24.31 S ATOM 0 H CYS A 123 13.414 24.975 -4.391 1.00 61.42 H new ATOM 0 HA CYS A 123 15.637 23.499 -5.197 1.00 1.45 H new ATOM 0 HB2 CYS A 123 12.759 22.539 -5.003 1.00 62.13 H new ATOM 0 HB3 CYS A 123 14.205 21.565 -4.830 1.00 62.13 H new ATOM 423 N TYR A 124 15.100 22.302 -7.435 1.00 1.14 N ATOM 424 CA TYR A 124 15.030 21.946 -8.847 1.00 12.43 C ATOM 425 C TYR A 124 15.217 20.445 -9.040 1.00 24.52 C ATOM 426 O TYR A 124 15.751 19.756 -8.170 1.00 64.44 O ATOM 427 CB TYR A 124 16.090 22.710 -9.641 1.00 71.41 C ATOM 428 CG TYR A 124 17.354 22.983 -8.857 1.00 34.31 C ATOM 429 CD1 TYR A 124 18.252 21.962 -8.571 1.00 52.32 C ATOM 430 CD2 TYR A 124 17.650 24.262 -8.402 1.00 45.12 C ATOM 431 CE1 TYR A 124 19.406 22.207 -7.854 1.00 22.44 C ATOM 432 CE2 TYR A 124 18.803 24.516 -7.686 1.00 45.00 C ATOM 433 CZ TYR A 124 19.679 23.485 -7.414 1.00 0.14 C ATOM 434 OH TYR A 124 20.829 23.733 -6.701 1.00 0.54 O ATOM 0 H TYR A 124 15.713 21.706 -6.880 1.00 1.14 H new ATOM 0 HA TYR A 124 14.042 22.221 -9.216 1.00 12.43 H new ATOM 0 HB2 TYR A 124 16.343 22.140 -10.535 1.00 71.41 H new ATOM 0 HB3 TYR A 124 15.668 23.658 -9.976 1.00 71.41 H new ATOM 0 HD1 TYR A 124 18.044 20.960 -8.915 1.00 52.32 H new ATOM 0 HD2 TYR A 124 16.967 25.071 -8.612 1.00 45.12 H new ATOM 0 HE1 TYR A 124 20.092 21.401 -7.639 1.00 22.44 H new ATOM 0 HE2 TYR A 124 19.018 25.516 -7.341 1.00 45.00 H new ATOM 0 HH TYR A 124 20.995 24.698 -6.673 1.00 0.54 H new ATOM 444 N CYS A 125 14.774 19.942 -10.188 1.00 72.13 N ATOM 445 CA CYS A 125 14.892 18.522 -10.499 1.00 14.45 C ATOM 446 C CYS A 125 16.337 18.154 -10.820 1.00 1.12 C ATOM 447 O CYS A 125 16.757 18.193 -11.976 1.00 53.31 O ATOM 448 CB CYS A 125 13.987 18.160 -11.678 1.00 4.21 C ATOM 449 SG CYS A 125 12.346 17.537 -11.193 1.00 61.31 S ATOM 0 H CYS A 125 14.330 20.498 -10.919 1.00 72.13 H new ATOM 0 HA CYS A 125 14.578 17.956 -9.622 1.00 14.45 H new ATOM 0 HB2 CYS A 125 13.858 19.041 -12.307 1.00 4.21 H new ATOM 0 HB3 CYS A 125 14.485 17.405 -12.286 1.00 4.21 H new ATOM 454 N ARG A 126 17.095 17.797 -9.787 1.00 72.45 N ATOM 455 CA ARG A 126 18.493 17.423 -9.959 1.00 30.44 C ATOM 456 C ARG A 126 18.652 15.905 -9.972 1.00 71.45 C ATOM 457 O ARG A 126 18.094 15.204 -9.128 1.00 14.44 O ATOM 458 CB ARG A 126 19.345 18.025 -8.841 1.00 10.24 C ATOM 459 CG ARG A 126 20.830 18.073 -9.164 1.00 73.11 C ATOM 460 CD ARG A 126 21.611 18.813 -8.090 1.00 54.41 C ATOM 461 NE ARG A 126 22.757 19.530 -8.642 1.00 63.21 N ATOM 462 CZ ARG A 126 23.921 18.951 -8.919 1.00 3.22 C ATOM 463 NH1 ARG A 126 24.090 17.656 -8.696 1.00 63.44 N ATOM 464 NH2 ARG A 126 24.917 19.670 -9.419 1.00 45.14 N ATOM 0 H ARG A 126 16.764 17.759 -8.823 1.00 72.45 H new ATOM 0 HA ARG A 126 18.833 17.815 -10.917 1.00 30.44 H new ATOM 0 HB2 ARG A 126 18.994 19.036 -8.633 1.00 10.24 H new ATOM 0 HB3 ARG A 126 19.199 17.443 -7.931 1.00 10.24 H new ATOM 0 HG2 ARG A 126 21.215 17.058 -9.261 1.00 73.11 H new ATOM 0 HG3 ARG A 126 20.978 18.563 -10.126 1.00 73.11 H new ATOM 0 HD2 ARG A 126 20.952 19.518 -7.584 1.00 54.41 H new ATOM 0 HD3 ARG A 126 21.956 18.103 -7.338 1.00 54.41 H new ATOM 0 HE ARG A 126 22.659 20.529 -8.825 1.00 63.21 H new ATOM 0 HH11 ARG A 126 23.326 17.101 -8.311 1.00 63.44 H new ATOM 0 HH12 ARG A 126 24.984 17.214 -8.909 1.00 63.44 H new ATOM 0 HH21 ARG A 126 24.790 20.667 -9.591 1.00 45.14 H new ATOM 0 HH22 ARG A 126 25.810 19.226 -9.632 1.00 45.14 H new ATOM 478 N VAL A 127 19.416 15.404 -10.938 1.00 24.23 N ATOM 479 CA VAL A 127 19.649 13.969 -11.061 1.00 3.24 C ATOM 480 C VAL A 127 20.759 13.511 -10.122 1.00 60.43 C ATOM 481 O VAL A 127 21.939 13.771 -10.362 1.00 41.31 O ATOM 482 CB VAL A 127 20.021 13.584 -12.505 1.00 4.35 C ATOM 483 CG1 VAL A 127 18.807 13.685 -13.415 1.00 13.32 C ATOM 484 CG2 VAL A 127 21.155 14.462 -13.016 1.00 35.54 C ATOM 0 H VAL A 127 19.884 15.970 -11.646 1.00 24.23 H new ATOM 0 HA VAL A 127 18.718 13.471 -10.788 1.00 3.24 H new ATOM 0 HB VAL A 127 20.363 12.549 -12.509 1.00 4.35 H new ATOM 0 HG11 VAL A 127 19.090 13.409 -14.431 1.00 13.32 H new ATOM 0 HG12 VAL A 127 18.028 13.010 -13.059 1.00 13.32 H new ATOM 0 HG13 VAL A 127 18.431 14.708 -13.408 1.00 13.32 H new ATOM 0 HG21 VAL A 127 21.405 14.176 -14.038 1.00 35.54 H new ATOM 0 HG22 VAL A 127 20.843 15.506 -12.998 1.00 35.54 H new ATOM 0 HG23 VAL A 127 22.030 14.333 -12.379 1.00 35.54 H new ATOM 494 N LEU A 128 20.374 12.825 -9.052 1.00 22.51 N ATOM 495 CA LEU A 128 21.338 12.327 -8.074 1.00 74.15 C ATOM 496 C LEU A 128 21.668 10.861 -8.334 1.00 71.42 C ATOM 497 O LEU A 128 22.017 10.120 -7.415 1.00 33.01 O ATOM 498 CB LEU A 128 20.788 12.494 -6.657 1.00 12.43 C ATOM 499 CG LEU A 128 20.227 13.874 -6.313 1.00 44.21 C ATOM 500 CD1 LEU A 128 18.912 13.744 -5.560 1.00 43.41 C ATOM 501 CD2 LEU A 128 21.234 14.672 -5.497 1.00 21.12 C ATOM 0 H LEU A 128 19.402 12.600 -8.838 1.00 22.51 H new ATOM 0 HA LEU A 128 22.254 12.910 -8.173 1.00 74.15 H new ATOM 0 HB2 LEU A 128 20.001 11.756 -6.505 1.00 12.43 H new ATOM 0 HB3 LEU A 128 21.584 12.261 -5.950 1.00 12.43 H new ATOM 0 HG LEU A 128 20.038 14.409 -7.243 1.00 44.21 H new ATOM 0 HD11 LEU A 128 18.528 14.737 -5.324 1.00 43.41 H new ATOM 0 HD12 LEU A 128 18.189 13.213 -6.179 1.00 43.41 H new ATOM 0 HD13 LEU A 128 19.075 13.189 -4.636 1.00 43.41 H new ATOM 0 HD21 LEU A 128 20.817 15.651 -5.262 1.00 21.12 H new ATOM 0 HD22 LEU A 128 21.456 14.140 -4.572 1.00 21.12 H new ATOM 0 HD23 LEU A 128 22.151 14.797 -6.072 1.00 21.12 H new ATOM 513 N SER A 129 21.557 10.448 -9.593 1.00 43.12 N ATOM 514 CA SER A 129 21.844 9.069 -9.974 1.00 14.43 C ATOM 515 C SER A 129 23.244 8.949 -10.566 1.00 64.24 C ATOM 516 O SER A 129 24.038 8.107 -10.146 1.00 44.11 O ATOM 517 CB SER A 129 20.806 8.571 -10.981 1.00 70.22 C ATOM 518 OG SER A 129 19.528 8.453 -10.382 1.00 11.33 O ATOM 0 H SER A 129 21.271 11.048 -10.366 1.00 43.12 H new ATOM 0 HA SER A 129 21.795 8.452 -9.077 1.00 14.43 H new ATOM 0 HB2 SER A 129 20.753 9.260 -11.824 1.00 70.22 H new ATOM 0 HB3 SER A 129 21.115 7.604 -11.378 1.00 70.22 H new ATOM 0 HG SER A 129 18.883 8.135 -11.048 1.00 11.33 H new ATOM 524 N LEU A 130 23.539 9.796 -11.546 1.00 44.42 N ATOM 525 CA LEU A 130 24.845 9.786 -12.199 1.00 13.53 C ATOM 526 C LEU A 130 25.102 8.447 -12.882 1.00 55.12 C ATOM 527 O LEU A 130 26.248 8.037 -13.054 1.00 21.52 O ATOM 528 CB LEU A 130 25.949 10.071 -11.179 1.00 50.13 C ATOM 529 CG LEU A 130 25.730 11.284 -10.273 1.00 74.23 C ATOM 530 CD1 LEU A 130 26.937 11.505 -9.375 1.00 31.22 C ATOM 531 CD2 LEU A 130 25.446 12.526 -11.105 1.00 4.24 C ATOM 0 H LEU A 130 22.893 10.498 -11.906 1.00 44.42 H new ATOM 0 HA LEU A 130 24.850 10.567 -12.959 1.00 13.53 H new ATOM 0 HB2 LEU A 130 26.070 9.190 -10.549 1.00 50.13 H new ATOM 0 HB3 LEU A 130 26.886 10.210 -11.718 1.00 50.13 H new ATOM 0 HG LEU A 130 24.864 11.089 -9.640 1.00 74.23 H new ATOM 0 HD11 LEU A 130 26.763 12.372 -8.738 1.00 31.22 H new ATOM 0 HD12 LEU A 130 27.094 10.624 -8.753 1.00 31.22 H new ATOM 0 HD13 LEU A 130 27.821 11.678 -9.989 1.00 31.22 H new ATOM 0 HD21 LEU A 130 25.293 13.379 -10.444 1.00 4.24 H new ATOM 0 HD22 LEU A 130 26.292 12.724 -11.763 1.00 4.24 H new ATOM 0 HD23 LEU A 130 24.550 12.365 -11.704 1.00 4.24 H new ATOM 543 N ASN A 131 24.024 7.772 -13.273 1.00 5.12 N ATOM 544 CA ASN A 131 24.134 6.480 -13.939 1.00 71.34 C ATOM 545 C ASN A 131 22.960 6.257 -14.889 1.00 31.23 C ATOM 546 O ASN A 131 22.476 5.135 -15.042 1.00 13.42 O ATOM 547 CB ASN A 131 24.190 5.353 -12.907 1.00 30.23 C ATOM 548 CG ASN A 131 25.059 4.195 -13.362 1.00 13.31 C ATOM 549 OD1 ASN A 131 25.369 4.065 -14.545 1.00 53.24 O ATOM 550 ND2 ASN A 131 25.455 3.347 -12.420 1.00 15.14 N ATOM 0 H ASN A 131 23.067 8.099 -13.140 1.00 5.12 H new ATOM 0 HA ASN A 131 25.056 6.476 -14.520 1.00 71.34 H new ATOM 0 HB2 ASN A 131 24.575 5.745 -11.966 1.00 30.23 H new ATOM 0 HB3 ASN A 131 23.180 4.992 -12.713 1.00 30.23 H new ATOM 0 HD21 ASN A 131 26.040 2.549 -12.666 1.00 15.14 H new ATOM 0 HD22 ASN A 131 25.174 3.494 -11.451 1.00 15.14 H new ATOM 557 N CYS A 132 22.506 7.333 -15.523 1.00 63.13 N ATOM 558 CA CYS A 132 21.389 7.256 -16.457 1.00 70.20 C ATOM 559 C CYS A 132 21.882 7.325 -17.900 1.00 13.22 C ATOM 560 O CYS A 132 23.073 7.508 -18.151 1.00 71.43 O ATOM 561 CB CYS A 132 20.396 8.388 -16.190 1.00 42.25 C ATOM 562 SG CYS A 132 18.740 8.107 -16.897 1.00 2.12 S ATOM 0 H CYS A 132 22.895 8.269 -15.407 1.00 63.13 H new ATOM 0 HA CYS A 132 20.887 6.300 -16.309 1.00 70.20 H new ATOM 0 HB2 CYS A 132 20.301 8.527 -15.113 1.00 42.25 H new ATOM 0 HB3 CYS A 132 20.800 9.315 -16.596 1.00 42.25 H new