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 -33:sc=-0.00427! USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.83) 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 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.394 21.116 -20.446 1.00 50.15 N ATOM 2 CA CYS A 93 8.562 20.785 -19.037 1.00 2.44 C ATOM 3 C CYS A 93 9.991 21.064 -18.579 1.00 41.23 C ATOM 4 O CYS A 93 10.858 21.402 -19.385 1.00 52.55 O ATOM 5 CB CYS A 93 8.214 19.316 -18.791 1.00 12.13 C ATOM 6 SG CYS A 93 8.907 18.171 -20.026 1.00 72.23 S ATOM 0 HA CYS A 93 7.884 21.414 -18.459 1.00 2.44 H new ATOM 0 HB2 CYS A 93 8.574 19.029 -17.803 1.00 12.13 H new ATOM 0 HB3 CYS A 93 7.129 19.208 -18.779 1.00 12.13 H new ATOM 11 N VAL A 94 10.229 20.919 -17.280 1.00 5.55 N ATOM 12 CA VAL A 94 11.553 21.154 -16.714 1.00 72.02 C ATOM 13 C VAL A 94 12.528 20.055 -17.123 1.00 14.40 C ATOM 14 O VAL A 94 12.309 18.879 -16.836 1.00 74.01 O ATOM 15 CB VAL A 94 11.500 21.233 -15.177 1.00 24.31 C ATOM 16 CG1 VAL A 94 12.861 20.907 -14.579 1.00 14.43 C ATOM 17 CG2 VAL A 94 11.027 22.608 -14.730 1.00 64.20 C ATOM 0 H VAL A 94 9.523 20.640 -16.599 1.00 5.55 H new ATOM 0 HA VAL A 94 11.901 22.109 -17.107 1.00 72.02 H new ATOM 0 HB VAL A 94 10.785 20.494 -14.816 1.00 24.31 H new ATOM 0 HG11 VAL A 94 12.805 20.968 -13.492 1.00 14.43 H new ATOM 0 HG12 VAL A 94 13.155 19.899 -14.871 1.00 14.43 H new ATOM 0 HG13 VAL A 94 13.599 21.621 -14.945 1.00 14.43 H new ATOM 0 HG21 VAL A 94 10.996 22.646 -13.641 1.00 64.20 H new ATOM 0 HG22 VAL A 94 11.716 23.368 -15.100 1.00 64.20 H new ATOM 0 HG23 VAL A 94 10.030 22.797 -15.128 1.00 64.20 H new ATOM 27 N ALA A 95 13.605 20.448 -17.795 1.00 21.04 N ATOM 28 CA ALA A 95 14.616 19.497 -18.241 1.00 35.11 C ATOM 29 C ALA A 95 15.417 18.953 -17.063 1.00 15.54 C ATOM 30 O ALA A 95 15.324 17.772 -16.727 1.00 44.12 O ATOM 31 CB ALA A 95 15.543 20.149 -19.256 1.00 14.32 C ATOM 0 H ALA A 95 13.800 21.418 -18.042 1.00 21.04 H new ATOM 0 HA ALA A 95 14.106 18.659 -18.717 1.00 35.11 H new ATOM 0 HB1 ALA A 95 16.293 19.427 -19.580 1.00 14.32 H new ATOM 0 HB2 ALA A 95 14.963 20.482 -20.117 1.00 14.32 H new ATOM 0 HB3 ALA A 95 16.038 21.006 -18.799 1.00 14.32 H new ATOM 37 N THR A 96 16.204 19.823 -16.437 1.00 31.12 N ATOM 38 CA THR A 96 17.023 19.430 -15.297 1.00 73.20 C ATOM 39 C THR A 96 17.478 20.647 -14.501 1.00 41.51 C ATOM 40 O THR A 96 17.679 21.726 -15.059 1.00 51.15 O ATOM 41 CB THR A 96 18.261 18.630 -15.744 1.00 41.31 C ATOM 42 OG1 THR A 96 17.892 17.674 -16.744 1.00 21.34 O ATOM 43 CG2 THR A 96 18.900 17.916 -14.562 1.00 54.15 C ATOM 0 H THR A 96 16.291 20.804 -16.701 1.00 31.12 H new ATOM 0 HA THR A 96 16.401 18.798 -14.664 1.00 73.20 H new ATOM 0 HB THR A 96 18.987 19.328 -16.161 1.00 41.31 H new ATOM 0 HG1 THR A 96 16.984 17.349 -16.567 1.00 21.34 H new ATOM 0 HG21 THR A 96 19.772 17.358 -14.902 1.00 54.15 H new ATOM 0 HG22 THR A 96 19.207 18.650 -13.816 1.00 54.15 H new ATOM 0 HG23 THR A 96 18.179 17.228 -14.119 1.00 54.15 H new ATOM 51 N ARG A 97 17.640 20.468 -13.194 1.00 70.33 N ATOM 52 CA ARG A 97 18.072 21.553 -12.322 1.00 34.25 C ATOM 53 C ARG A 97 17.433 22.874 -12.740 1.00 34.13 C ATOM 54 O ARG A 97 18.088 23.915 -12.752 1.00 14.13 O ATOM 55 CB ARG A 97 19.596 21.681 -12.347 1.00 32.30 C ATOM 56 CG ARG A 97 20.144 22.167 -13.678 1.00 40.35 C ATOM 57 CD ARG A 97 20.526 21.005 -14.582 1.00 5.24 C ATOM 58 NE ARG A 97 21.869 21.160 -15.134 1.00 44.31 N ATOM 59 CZ ARG A 97 22.977 21.088 -14.404 1.00 41.54 C ATOM 60 NH1 ARG A 97 22.902 20.865 -13.100 1.00 21.33 N ATOM 61 NH2 ARG A 97 24.163 21.240 -14.980 1.00 1.12 N ATOM 0 H ARG A 97 17.478 19.582 -12.716 1.00 70.33 H new ATOM 0 HA ARG A 97 17.751 21.319 -11.307 1.00 34.25 H new ATOM 0 HB2 ARG A 97 19.907 22.370 -11.562 1.00 32.30 H new ATOM 0 HB3 ARG A 97 20.037 20.712 -12.114 1.00 32.30 H new ATOM 0 HG2 ARG A 97 19.398 22.786 -14.176 1.00 40.35 H new ATOM 0 HG3 ARG A 97 21.017 22.797 -13.505 1.00 40.35 H new ATOM 0 HD2 ARG A 97 20.471 20.074 -14.018 1.00 5.24 H new ATOM 0 HD3 ARG A 97 19.806 20.927 -15.397 1.00 5.24 H new ATOM 0 HE ARG A 97 21.962 21.333 -16.135 1.00 44.31 H new ATOM 0 HH11 ARG A 97 21.992 20.748 -12.654 1.00 21.33 H new ATOM 0 HH12 ARG A 97 23.754 20.810 -12.542 1.00 21.33 H new ATOM 0 HH21 ARG A 97 24.224 21.412 -15.983 1.00 1.12 H new ATOM 0 HH22 ARG A 97 25.013 21.185 -14.419 1.00 1.12 H new ATOM 75 N ASN A 98 16.149 22.822 -13.083 1.00 5.24 N ATOM 76 CA ASN A 98 15.422 24.014 -13.503 1.00 0.44 C ATOM 77 C ASN A 98 14.512 24.518 -12.386 1.00 62.03 C ATOM 78 O ASN A 98 14.733 25.593 -11.829 1.00 22.03 O ATOM 79 CB ASN A 98 14.595 23.718 -14.755 1.00 71.31 C ATOM 80 CG ASN A 98 14.412 24.942 -15.631 1.00 11.33 C ATOM 81 OD1 ASN A 98 14.358 26.069 -15.138 1.00 4.13 O ATOM 82 ND2 ASN A 98 14.315 24.726 -16.937 1.00 54.03 N ATOM 0 H ASN A 98 15.592 21.968 -13.078 1.00 5.24 H new ATOM 0 HA ASN A 98 16.151 24.791 -13.733 1.00 0.44 H new ATOM 0 HB2 ASN A 98 15.083 22.932 -15.331 1.00 71.31 H new ATOM 0 HB3 ASN A 98 13.617 23.337 -14.459 1.00 71.31 H new ATOM 0 HD21 ASN A 98 14.190 25.511 -17.576 1.00 54.03 H new ATOM 0 HD22 ASN A 98 14.365 23.775 -17.302 1.00 54.03 H new ATOM 89 N SER A 99 13.489 23.733 -12.065 1.00 12.00 N ATOM 90 CA SER A 99 12.543 24.100 -11.017 1.00 42.34 C ATOM 91 C SER A 99 11.880 22.860 -10.425 1.00 50.52 C ATOM 92 O SER A 99 11.605 21.891 -11.133 1.00 21.01 O ATOM 93 CB SER A 99 11.477 25.047 -11.572 1.00 61.14 C ATOM 94 OG SER A 99 10.335 25.076 -10.734 1.00 73.13 O ATOM 0 H SER A 99 13.294 22.839 -12.515 1.00 12.00 H new ATOM 0 HA SER A 99 13.094 24.608 -10.226 1.00 42.34 H new ATOM 0 HB2 SER A 99 11.890 26.051 -11.664 1.00 61.14 H new ATOM 0 HB3 SER A 99 11.189 24.728 -12.574 1.00 61.14 H new ATOM 0 HG SER A 99 9.669 25.689 -11.109 1.00 73.13 H new ATOM 100 N CYS A 100 11.626 22.899 -9.122 1.00 14.15 N ATOM 101 CA CYS A 100 10.995 21.780 -8.431 1.00 43.24 C ATOM 102 C CYS A 100 9.482 21.966 -8.364 1.00 22.44 C ATOM 103 O CYS A 100 8.922 22.839 -9.026 1.00 51.12 O ATOM 104 CB CYS A 100 11.567 21.638 -7.019 1.00 75.33 C ATOM 105 SG CYS A 100 12.633 20.179 -6.793 1.00 25.35 S ATOM 0 H CYS A 100 11.847 23.694 -8.522 1.00 14.15 H new ATOM 0 HA CYS A 100 11.206 20.871 -8.994 1.00 43.24 H new ATOM 0 HB2 CYS A 100 12.139 22.534 -6.779 1.00 75.33 H new ATOM 0 HB3 CYS A 100 10.743 21.586 -6.308 1.00 75.33 H new ATOM 110 N LYS A 101 8.826 21.138 -7.558 1.00 31.23 N ATOM 111 CA LYS A 101 7.378 21.210 -7.401 1.00 21.25 C ATOM 112 C LYS A 101 6.673 20.934 -8.725 1.00 14.05 C ATOM 113 O LYS A 101 6.172 21.841 -9.389 1.00 51.24 O ATOM 114 CB LYS A 101 6.970 22.586 -6.870 1.00 11.01 C ATOM 115 CG LYS A 101 7.547 22.906 -5.502 1.00 35.13 C ATOM 116 CD LYS A 101 8.776 23.793 -5.608 1.00 73.21 C ATOM 117 CE LYS A 101 9.450 23.976 -4.257 1.00 35.12 C ATOM 118 NZ LYS A 101 8.664 24.870 -3.362 1.00 41.40 N ATOM 0 H LYS A 101 9.274 20.409 -7.003 1.00 31.23 H new ATOM 0 HA LYS A 101 7.077 20.447 -6.684 1.00 21.25 H new ATOM 0 HB2 LYS A 101 7.292 23.349 -7.578 1.00 11.01 H new ATOM 0 HB3 LYS A 101 5.883 22.638 -6.818 1.00 11.01 H new ATOM 0 HG2 LYS A 101 6.790 23.402 -4.894 1.00 35.13 H new ATOM 0 HG3 LYS A 101 7.809 21.980 -4.991 1.00 35.13 H new ATOM 0 HD2 LYS A 101 9.483 23.354 -6.312 1.00 73.21 H new ATOM 0 HD3 LYS A 101 8.490 24.766 -6.008 1.00 73.21 H new ATOM 0 HE2 LYS A 101 9.577 23.004 -3.780 1.00 35.12 H new ATOM 0 HE3 LYS A 101 10.447 24.392 -4.402 1.00 35.12 H new ATOM 0 HZ1 LYS A 101 9.156 24.970 -2.451 1.00 41.40 H new ATOM 0 HZ2 LYS A 101 8.565 25.805 -3.806 1.00 41.40 H new ATOM 0 HZ3 LYS A 101 7.721 24.460 -3.203 1.00 41.40 H new ATOM 132 N PRO A 102 6.630 19.652 -9.117 1.00 53.34 N ATOM 133 CA PRO A 102 5.986 19.228 -10.364 1.00 70.41 C ATOM 134 C PRO A 102 4.468 19.364 -10.308 1.00 62.53 C ATOM 135 O PRO A 102 3.758 18.392 -10.052 1.00 33.00 O ATOM 136 CB PRO A 102 6.387 17.755 -10.487 1.00 11.53 C ATOM 137 CG PRO A 102 6.651 17.317 -9.088 1.00 32.13 C ATOM 138 CD PRO A 102 7.206 18.519 -8.375 1.00 32.24 C ATOM 0 HA PRO A 102 6.295 19.840 -11.211 1.00 70.41 H new ATOM 0 HB2 PRO A 102 5.592 17.165 -10.943 1.00 11.53 H new ATOM 0 HB3 PRO A 102 7.272 17.636 -11.113 1.00 11.53 H new ATOM 0 HG2 PRO A 102 5.736 16.967 -8.609 1.00 32.13 H new ATOM 0 HG3 PRO A 102 7.359 16.489 -9.066 1.00 32.13 H new ATOM 0 HD2 PRO A 102 6.912 18.535 -7.326 1.00 32.24 H new ATOM 0 HD3 PRO A 102 8.296 18.534 -8.401 1.00 32.24 H new ATOM 146 N ALA A 103 3.978 20.575 -10.550 1.00 72.22 N ATOM 147 CA ALA A 103 2.544 20.837 -10.530 1.00 21.41 C ATOM 148 C ALA A 103 1.787 19.813 -11.369 1.00 21.41 C ATOM 149 O ALA A 103 0.872 19.150 -10.880 1.00 44.22 O ATOM 150 CB ALA A 103 2.258 22.245 -11.028 1.00 53.41 C ATOM 0 H ALA A 103 4.553 21.390 -10.762 1.00 72.22 H new ATOM 0 HA ALA A 103 2.198 20.751 -9.500 1.00 21.41 H new ATOM 0 HB1 ALA A 103 1.183 22.427 -11.008 1.00 53.41 H new ATOM 0 HB2 ALA A 103 2.761 22.967 -10.385 1.00 53.41 H new ATOM 0 HB3 ALA A 103 2.625 22.351 -12.049 1.00 53.41 H new ATOM 156 N ALA A 104 2.174 19.689 -12.634 1.00 41.03 N ATOM 157 CA ALA A 104 1.533 18.745 -13.541 1.00 35.35 C ATOM 158 C ALA A 104 2.541 18.148 -14.516 1.00 25.33 C ATOM 159 O ALA A 104 2.608 16.931 -14.687 1.00 71.11 O ATOM 160 CB ALA A 104 0.402 19.425 -14.298 1.00 43.34 C ATOM 0 H ALA A 104 2.929 20.231 -13.054 1.00 41.03 H new ATOM 0 HA ALA A 104 1.119 17.932 -12.945 1.00 35.35 H new ATOM 0 HB1 ALA A 104 -0.068 18.708 -14.972 1.00 43.34 H new ATOM 0 HB2 ALA A 104 -0.339 19.796 -13.589 1.00 43.34 H new ATOM 0 HB3 ALA A 104 0.801 20.259 -14.876 1.00 43.34 H new ATOM 166 N ALA A 105 3.325 19.012 -15.153 1.00 13.03 N ATOM 167 CA ALA A 105 4.331 18.569 -16.110 1.00 0.43 C ATOM 168 C ALA A 105 5.509 19.537 -16.154 1.00 60.35 C ATOM 169 O ALA A 105 5.785 20.147 -17.187 1.00 75.41 O ATOM 170 CB ALA A 105 3.715 18.421 -17.493 1.00 32.22 C ATOM 0 H ALA A 105 3.283 20.023 -15.023 1.00 13.03 H new ATOM 0 HA ALA A 105 4.704 17.598 -15.785 1.00 0.43 H new ATOM 0 HB1 ALA A 105 4.478 18.090 -18.198 1.00 32.22 H new ATOM 0 HB2 ALA A 105 2.911 17.686 -17.456 1.00 32.22 H new ATOM 0 HB3 ALA A 105 3.314 19.381 -17.817 1.00 32.22 H new ATOM 176 N ALA A 106 6.200 19.673 -15.028 1.00 23.54 N ATOM 177 CA ALA A 106 7.349 20.565 -14.939 1.00 65.12 C ATOM 178 C ALA A 106 8.486 19.920 -14.154 1.00 65.42 C ATOM 179 O ALA A 106 8.905 20.430 -13.115 1.00 12.04 O ATOM 180 CB ALA A 106 6.945 21.884 -14.298 1.00 41.11 C ATOM 0 H ALA A 106 5.984 19.176 -14.164 1.00 23.54 H new ATOM 0 HA ALA A 106 7.705 20.759 -15.951 1.00 65.12 H new ATOM 0 HB1 ALA A 106 7.813 22.540 -14.238 1.00 41.11 H new ATOM 0 HB2 ALA A 106 6.171 22.360 -14.901 1.00 41.11 H new ATOM 0 HB3 ALA A 106 6.560 21.698 -13.295 1.00 41.11 H new ATOM 186 N CYS A 107 8.983 18.794 -14.657 1.00 54.34 N ATOM 187 CA CYS A 107 10.071 18.078 -14.003 1.00 73.21 C ATOM 188 C CYS A 107 10.431 16.813 -14.776 1.00 65.34 C ATOM 189 O CYS A 107 10.798 15.795 -14.188 1.00 3.22 O ATOM 190 CB CYS A 107 9.682 17.718 -12.568 1.00 31.02 C ATOM 191 SG CYS A 107 10.915 18.206 -11.319 1.00 10.11 S ATOM 0 H CYS A 107 8.649 18.358 -15.516 1.00 54.34 H new ATOM 0 HA CYS A 107 10.943 18.732 -13.983 1.00 73.21 H new ATOM 0 HB2 CYS A 107 8.731 18.195 -12.330 1.00 31.02 H new ATOM 0 HB3 CYS A 107 9.523 16.641 -12.505 1.00 31.02 H new ATOM 196 N CYS A 108 10.325 16.884 -16.099 1.00 70.10 N ATOM 197 CA CYS A 108 10.639 15.746 -16.954 1.00 62.14 C ATOM 198 C CYS A 108 12.027 15.195 -16.638 1.00 73.24 C ATOM 199 O CYS A 108 13.039 15.747 -17.070 1.00 14.50 O ATOM 200 CB CYS A 108 10.563 16.152 -18.427 1.00 41.15 C ATOM 201 SG CYS A 108 8.866 16.279 -19.077 1.00 12.31 S ATOM 0 H CYS A 108 10.024 17.719 -16.602 1.00 70.10 H new ATOM 0 HA CYS A 108 9.904 14.964 -16.761 1.00 62.14 H new ATOM 0 HB2 CYS A 108 11.062 17.113 -18.554 1.00 41.15 H new ATOM 0 HB3 CYS A 108 11.115 15.425 -19.022 1.00 41.15 H new ATOM 206 N ASP A 109 12.065 14.103 -15.883 1.00 62.42 N ATOM 207 CA ASP A 109 13.328 13.475 -15.510 1.00 53.21 C ATOM 208 C ASP A 109 13.087 12.237 -14.652 1.00 15.21 C ATOM 209 O ASP A 109 13.157 12.280 -13.424 1.00 24.15 O ATOM 210 CB ASP A 109 14.213 14.469 -14.756 1.00 54.13 C ATOM 211 CG ASP A 109 15.668 14.379 -15.171 1.00 60.11 C ATOM 212 OD1 ASP A 109 16.075 13.314 -15.681 1.00 60.12 O ATOM 213 OD2 ASP A 109 16.400 15.373 -14.986 1.00 51.54 O ATOM 0 H ASP A 109 11.236 13.634 -15.517 1.00 62.42 H new ATOM 0 HA ASP A 109 13.837 13.168 -16.424 1.00 53.21 H new ATOM 0 HB2 ASP A 109 13.850 15.481 -14.933 1.00 54.13 H new ATOM 0 HB3 ASP A 109 14.132 14.284 -13.685 1.00 54.13 H new ATOM 218 N PRO A 110 12.793 11.107 -15.312 1.00 44.01 N ATOM 219 CA PRO A 110 12.535 9.836 -14.629 1.00 61.24 C ATOM 220 C PRO A 110 13.793 9.254 -13.993 1.00 34.31 C ATOM 221 O PRO A 110 13.734 8.248 -13.285 1.00 71.54 O ATOM 222 CB PRO A 110 12.034 8.925 -15.753 1.00 51.21 C ATOM 223 CG PRO A 110 12.624 9.497 -16.996 1.00 10.12 C ATOM 224 CD PRO A 110 12.692 10.983 -16.776 1.00 1.01 C ATOM 0 HA PRO A 110 11.828 9.951 -13.807 1.00 61.24 H new ATOM 0 HB2 PRO A 110 12.355 7.895 -15.600 1.00 51.21 H new ATOM 0 HB3 PRO A 110 10.945 8.916 -15.800 1.00 51.21 H new ATOM 0 HG2 PRO A 110 13.615 9.084 -17.183 1.00 10.12 H new ATOM 0 HG3 PRO A 110 12.010 9.259 -17.865 1.00 10.12 H new ATOM 0 HD2 PRO A 110 13.554 11.424 -17.277 1.00 1.01 H new ATOM 0 HD3 PRO A 110 11.806 11.487 -17.162 1.00 1.01 H new ATOM 232 N CYS A 111 14.929 9.893 -14.248 1.00 64.52 N ATOM 233 CA CYS A 111 16.202 9.439 -13.700 1.00 71.43 C ATOM 234 C CYS A 111 16.729 10.424 -12.661 1.00 31.43 C ATOM 235 O CYS A 111 17.825 10.252 -12.128 1.00 51.41 O ATOM 236 CB CYS A 111 17.230 9.263 -14.820 1.00 53.51 C ATOM 237 SG CYS A 111 17.280 7.585 -15.527 1.00 41.53 S ATOM 0 H CYS A 111 14.995 10.727 -14.831 1.00 64.52 H new ATOM 0 HA CYS A 111 16.037 8.478 -13.213 1.00 71.43 H new ATOM 0 HB2 CYS A 111 17.010 9.974 -15.616 1.00 53.51 H new ATOM 0 HB3 CYS A 111 18.218 9.513 -14.434 1.00 53.51 H new ATOM 242 N ALA A 112 15.940 11.455 -12.377 1.00 72.33 N ATOM 243 CA ALA A 112 16.325 12.466 -11.400 1.00 61.45 C ATOM 244 C ALA A 112 15.284 12.584 -10.293 1.00 32.53 C ATOM 245 O ALA A 112 14.308 11.834 -10.263 1.00 30.24 O ATOM 246 CB ALA A 112 16.526 13.810 -12.084 1.00 2.13 C ATOM 0 H ALA A 112 15.030 11.612 -12.810 1.00 72.33 H new ATOM 0 HA ALA A 112 17.266 12.157 -10.945 1.00 61.45 H new ATOM 0 HB1 ALA A 112 16.813 14.556 -11.343 1.00 2.13 H new ATOM 0 HB2 ALA A 112 17.312 13.722 -12.834 1.00 2.13 H new ATOM 0 HB3 ALA A 112 15.597 14.116 -12.565 1.00 2.13 H new ATOM 252 N SER A 113 15.498 13.529 -9.383 1.00 64.12 N ATOM 253 CA SER A 113 14.580 13.742 -8.270 1.00 63.45 C ATOM 254 C SER A 113 14.643 15.186 -7.783 1.00 70.01 C ATOM 255 O SER A 113 15.590 15.914 -8.083 1.00 15.31 O ATOM 256 CB SER A 113 14.910 12.788 -7.120 1.00 42.51 C ATOM 257 OG SER A 113 13.762 12.520 -6.335 1.00 15.01 O ATOM 0 H SER A 113 16.300 14.160 -9.395 1.00 64.12 H new ATOM 0 HA SER A 113 13.568 13.540 -8.621 1.00 63.45 H new ATOM 0 HB2 SER A 113 15.307 11.855 -7.520 1.00 42.51 H new ATOM 0 HB3 SER A 113 15.689 13.224 -6.494 1.00 42.51 H new ATOM 0 HG SER A 113 13.999 11.907 -5.608 1.00 15.01 H new ATOM 263 N CYS A 114 13.627 15.594 -7.029 1.00 64.05 N ATOM 264 CA CYS A 114 13.564 16.951 -6.500 1.00 24.33 C ATOM 265 C CYS A 114 14.661 17.182 -5.464 1.00 32.43 C ATOM 266 O CYS A 114 14.591 16.670 -4.346 1.00 62.30 O ATOM 267 CB CYS A 114 12.193 17.213 -5.874 1.00 40.12 C ATOM 268 SG CYS A 114 11.899 18.956 -5.432 1.00 33.41 S ATOM 0 H CYS A 114 12.836 15.004 -6.771 1.00 64.05 H new ATOM 0 HA CYS A 114 13.717 17.645 -7.327 1.00 24.33 H new ATOM 0 HB2 CYS A 114 11.419 16.890 -6.571 1.00 40.12 H new ATOM 0 HB3 CYS A 114 12.091 16.600 -4.979 1.00 40.12 H new ATOM 273 N TYR A 115 15.672 17.955 -5.843 1.00 14.30 N ATOM 274 CA TYR A 115 16.784 18.253 -4.948 1.00 60.35 C ATOM 275 C TYR A 115 16.773 19.721 -4.535 1.00 41.21 C ATOM 276 O TYR A 115 16.379 20.594 -5.310 1.00 25.24 O ATOM 277 CB TYR A 115 18.114 17.911 -5.623 1.00 53.10 C ATOM 278 CG TYR A 115 19.314 18.529 -4.943 1.00 22.04 C ATOM 279 CD1 TYR A 115 19.883 17.937 -3.821 1.00 55.22 C ATOM 280 CD2 TYR A 115 19.880 19.705 -5.420 1.00 74.21 C ATOM 281 CE1 TYR A 115 20.979 18.498 -3.196 1.00 0.44 C ATOM 282 CE2 TYR A 115 20.977 20.272 -4.802 1.00 11.20 C ATOM 283 CZ TYR A 115 21.523 19.666 -3.690 1.00 71.50 C ATOM 284 OH TYR A 115 22.615 20.228 -3.071 1.00 1.55 O ATOM 0 H TYR A 115 15.745 18.387 -6.764 1.00 14.30 H new ATOM 0 HA TYR A 115 16.670 17.642 -4.052 1.00 60.35 H new ATOM 0 HB2 TYR A 115 18.235 16.828 -5.641 1.00 53.10 H new ATOM 0 HB3 TYR A 115 18.082 18.245 -6.660 1.00 53.10 H new ATOM 0 HD1 TYR A 115 19.460 17.023 -3.432 1.00 55.22 H new ATOM 0 HD2 TYR A 115 19.454 20.184 -6.289 1.00 74.21 H new ATOM 0 HE1 TYR A 115 21.408 18.025 -2.325 1.00 0.44 H new ATOM 0 HE2 TYR A 115 21.405 21.185 -5.188 1.00 11.20 H new ATOM 0 HH TYR A 115 22.874 21.046 -3.544 1.00 1.55 H new ATOM 294 N CYS A 116 17.209 19.987 -3.308 1.00 61.22 N ATOM 295 CA CYS A 116 17.251 21.348 -2.789 1.00 52.51 C ATOM 296 C CYS A 116 18.658 21.710 -2.322 1.00 31.53 C ATOM 297 O CYS A 116 19.472 20.832 -2.036 1.00 24.24 O ATOM 298 CB CYS A 116 16.261 21.506 -1.633 1.00 3.40 C ATOM 299 SG CYS A 116 14.531 21.155 -2.082 1.00 1.01 S ATOM 0 H CYS A 116 17.538 19.277 -2.654 1.00 61.22 H new ATOM 0 HA CYS A 116 16.970 22.026 -3.595 1.00 52.51 H new ATOM 0 HB2 CYS A 116 16.557 20.840 -0.822 1.00 3.40 H new ATOM 0 HB3 CYS A 116 16.326 22.524 -1.250 1.00 3.40 H new ATOM 304 N ARG A 117 18.936 23.007 -2.247 1.00 32.03 N ATOM 305 CA ARG A 117 20.244 23.484 -1.815 1.00 51.51 C ATOM 306 C ARG A 117 20.128 24.300 -0.531 1.00 3.51 C ATOM 307 O ARG A 117 19.065 24.359 0.086 1.00 15.30 O ATOM 308 CB ARG A 117 20.889 24.331 -2.914 1.00 3.23 C ATOM 309 CG ARG A 117 19.886 25.094 -3.764 1.00 20.53 C ATOM 310 CD ARG A 117 19.168 26.162 -2.954 1.00 32.20 C ATOM 311 NE ARG A 117 18.820 27.324 -3.767 1.00 61.35 N ATOM 312 CZ ARG A 117 19.703 28.232 -4.167 1.00 2.00 C ATOM 313 NH1 ARG A 117 20.980 28.113 -3.830 1.00 40.12 N ATOM 314 NH2 ARG A 117 19.310 29.262 -4.906 1.00 33.25 N ATOM 0 H ARG A 117 18.273 23.746 -2.480 1.00 32.03 H new ATOM 0 HA ARG A 117 20.873 22.616 -1.618 1.00 51.51 H new ATOM 0 HB2 ARG A 117 21.578 25.040 -2.456 1.00 3.23 H new ATOM 0 HB3 ARG A 117 21.481 23.683 -3.560 1.00 3.23 H new ATOM 0 HG2 ARG A 117 20.400 25.558 -4.606 1.00 20.53 H new ATOM 0 HG3 ARG A 117 19.156 24.399 -4.180 1.00 20.53 H new ATOM 0 HD2 ARG A 117 18.262 25.739 -2.519 1.00 32.20 H new ATOM 0 HD3 ARG A 117 19.803 26.476 -2.125 1.00 32.20 H new ATOM 0 HE ARG A 117 17.845 27.445 -4.043 1.00 61.35 H new ATOM 0 HH11 ARG A 117 21.286 27.323 -3.262 1.00 40.12 H new ATOM 0 HH12 ARG A 117 21.656 28.812 -4.138 1.00 40.12 H new ATOM 0 HH21 ARG A 117 18.329 29.357 -5.168 1.00 33.25 H new ATOM 0 HH22 ARG A 117 19.989 29.958 -5.212 1.00 33.25 H new ATOM 328 N PHE A 118 21.230 24.928 -0.134 1.00 2.13 N ATOM 329 CA PHE A 118 21.253 25.740 1.078 1.00 63.52 C ATOM 330 C PHE A 118 19.989 26.586 1.189 1.00 12.24 C ATOM 331 O PHE A 118 19.251 26.494 2.171 1.00 43.40 O ATOM 332 CB PHE A 118 22.488 26.643 1.089 1.00 61.05 C ATOM 333 CG PHE A 118 23.713 25.977 1.647 1.00 42.12 C ATOM 334 CD1 PHE A 118 24.087 24.714 1.218 1.00 21.55 C ATOM 335 CD2 PHE A 118 24.491 26.615 2.600 1.00 62.24 C ATOM 336 CE1 PHE A 118 25.213 24.098 1.731 1.00 5.43 C ATOM 337 CE2 PHE A 118 25.619 26.005 3.116 1.00 70.32 C ATOM 338 CZ PHE A 118 25.981 24.745 2.680 1.00 0.21 C ATOM 0 H PHE A 118 22.119 24.890 -0.633 1.00 2.13 H new ATOM 0 HA PHE A 118 21.296 25.068 1.935 1.00 63.52 H new ATOM 0 HB2 PHE A 118 22.696 26.973 0.071 1.00 61.05 H new ATOM 0 HB3 PHE A 118 22.270 27.535 1.676 1.00 61.05 H new ATOM 0 HD1 PHE A 118 23.492 24.205 0.474 1.00 21.55 H new ATOM 0 HD2 PHE A 118 24.213 27.600 2.944 1.00 62.24 H new ATOM 0 HE1 PHE A 118 25.492 23.112 1.390 1.00 5.43 H new ATOM 0 HE2 PHE A 118 26.216 26.513 3.859 1.00 70.32 H new ATOM 0 HZ PHE A 118 26.863 24.267 3.080 1.00 0.21 H new ATOM 348 N PHE A 119 19.745 27.411 0.177 1.00 41.34 N ATOM 349 CA PHE A 119 18.571 28.276 0.161 1.00 41.25 C ATOM 350 C PHE A 119 17.313 27.492 0.521 1.00 12.03 C ATOM 351 O PHE A 119 16.476 27.961 1.293 1.00 40.22 O ATOM 352 CB PHE A 119 18.406 28.922 -1.217 1.00 32.12 C ATOM 353 CG PHE A 119 17.843 30.313 -1.163 1.00 13.31 C ATOM 354 CD1 PHE A 119 18.493 31.311 -0.455 1.00 40.11 C ATOM 355 CD2 PHE A 119 16.663 30.623 -1.820 1.00 13.13 C ATOM 356 CE1 PHE A 119 17.978 32.593 -0.404 1.00 32.33 C ATOM 357 CE2 PHE A 119 16.143 31.903 -1.772 1.00 71.13 C ATOM 358 CZ PHE A 119 16.801 32.889 -1.062 1.00 75.55 C ATOM 0 H PHE A 119 20.345 27.499 -0.643 1.00 41.34 H new ATOM 0 HA PHE A 119 18.716 29.058 0.906 1.00 41.25 H new ATOM 0 HB2 PHE A 119 19.375 28.950 -1.715 1.00 32.12 H new ATOM 0 HB3 PHE A 119 17.753 28.298 -1.826 1.00 32.12 H new ATOM 0 HD1 PHE A 119 19.413 31.085 0.063 1.00 40.11 H new ATOM 0 HD2 PHE A 119 16.144 29.856 -2.376 1.00 13.13 H new ATOM 0 HE1 PHE A 119 18.496 33.362 0.150 1.00 32.33 H new ATOM 0 HE2 PHE A 119 15.223 32.132 -2.289 1.00 71.13 H new ATOM 0 HZ PHE A 119 16.395 33.889 -1.022 1.00 75.55 H new ATOM 368 N ARG A 120 17.187 26.295 -0.043 1.00 15.40 N ATOM 369 CA ARG A 120 16.030 25.446 0.217 1.00 3.31 C ATOM 370 C ARG A 120 14.746 26.115 -0.263 1.00 15.35 C ATOM 371 O ARG A 120 13.653 25.785 0.198 1.00 74.15 O ATOM 372 CB ARG A 120 15.927 25.132 1.711 1.00 63.13 C ATOM 373 CG ARG A 120 16.489 23.770 2.087 1.00 52.53 C ATOM 374 CD ARG A 120 15.645 22.642 1.514 1.00 11.43 C ATOM 375 NE ARG A 120 14.484 22.348 2.351 1.00 43.33 N ATOM 376 CZ ARG A 120 13.822 21.198 2.310 1.00 32.31 C ATOM 377 NH1 ARG A 120 14.204 20.238 1.479 1.00 54.13 N ATOM 378 NH2 ARG A 120 12.775 21.005 3.103 1.00 43.02 N ATOM 0 H ARG A 120 17.871 25.891 -0.683 1.00 15.40 H new ATOM 0 HA ARG A 120 16.162 24.515 -0.335 1.00 3.31 H new ATOM 0 HB2 ARG A 120 16.456 25.902 2.273 1.00 63.13 H new ATOM 0 HB3 ARG A 120 14.881 25.180 2.012 1.00 63.13 H new ATOM 0 HG2 ARG A 120 17.512 23.683 1.720 1.00 52.53 H new ATOM 0 HG3 ARG A 120 16.531 23.679 3.172 1.00 52.53 H new ATOM 0 HD2 ARG A 120 15.311 22.912 0.512 1.00 11.43 H new ATOM 0 HD3 ARG A 120 16.257 21.745 1.415 1.00 11.43 H new ATOM 0 HE ARG A 120 14.165 23.065 3.002 1.00 43.33 H new ATOM 0 HH11 ARG A 120 15.009 20.382 0.869 1.00 54.13 H new ATOM 0 HH12 ARG A 120 13.693 19.356 1.450 1.00 54.13 H new ATOM 0 HH21 ARG A 120 12.479 21.741 3.744 1.00 43.02 H new ATOM 0 HH22 ARG A 120 12.267 20.121 3.071 1.00 43.02 H new ATOM 392 N SER A 121 14.886 27.058 -1.189 1.00 74.23 N ATOM 393 CA SER A 121 13.737 27.777 -1.728 1.00 70.43 C ATOM 394 C SER A 121 13.656 27.614 -3.243 1.00 63.11 C ATOM 395 O SER A 121 12.569 27.576 -3.817 1.00 55.42 O ATOM 396 CB SER A 121 13.822 29.261 -1.367 1.00 61.21 C ATOM 397 OG SER A 121 12.580 29.739 -0.880 1.00 3.11 O ATOM 0 H SER A 121 15.783 27.342 -1.582 1.00 74.23 H new ATOM 0 HA SER A 121 12.835 27.354 -1.286 1.00 70.43 H new ATOM 0 HB2 SER A 121 14.594 29.411 -0.613 1.00 61.21 H new ATOM 0 HB3 SER A 121 14.118 29.836 -2.245 1.00 61.21 H new ATOM 0 HG SER A 121 12.661 30.689 -0.655 1.00 3.11 H new ATOM 403 N ALA A 122 14.817 27.518 -3.884 1.00 75.11 N ATOM 404 CA ALA A 122 14.879 27.357 -5.332 1.00 14.35 C ATOM 405 C ALA A 122 15.296 25.940 -5.709 1.00 52.03 C ATOM 406 O ALA A 122 16.323 25.736 -6.357 1.00 52.03 O ATOM 407 CB ALA A 122 15.840 28.371 -5.934 1.00 70.13 C ATOM 0 H ALA A 122 15.727 27.549 -3.424 1.00 75.11 H new ATOM 0 HA ALA A 122 13.882 27.533 -5.736 1.00 14.35 H new ATOM 0 HB1 ALA A 122 15.877 28.240 -7.015 1.00 70.13 H new ATOM 0 HB2 ALA A 122 15.497 29.379 -5.702 1.00 70.13 H new ATOM 0 HB3 ALA A 122 16.836 28.221 -5.516 1.00 70.13 H new ATOM 413 N CYS A 123 14.494 24.963 -5.300 1.00 15.13 N ATOM 414 CA CYS A 123 14.780 23.564 -5.594 1.00 15.13 C ATOM 415 C CYS A 123 14.488 23.245 -7.057 1.00 43.44 C ATOM 416 O CYS A 123 13.739 23.961 -7.722 1.00 52.13 O ATOM 417 CB CYS A 123 13.952 22.651 -4.687 1.00 53.21 C ATOM 418 SG CYS A 123 14.077 23.052 -2.914 1.00 71.05 S ATOM 0 H CYS A 123 13.640 25.115 -4.763 1.00 15.13 H new ATOM 0 HA CYS A 123 15.839 23.388 -5.406 1.00 15.13 H new ATOM 0 HB2 CYS A 123 12.906 22.709 -4.989 1.00 53.21 H new ATOM 0 HB3 CYS A 123 14.271 21.620 -4.839 1.00 53.21 H new ATOM 423 N TYR A 124 15.086 22.167 -7.552 1.00 53.22 N ATOM 424 CA TYR A 124 14.893 21.754 -8.937 1.00 53.42 C ATOM 425 C TYR A 124 15.161 20.262 -9.103 1.00 64.23 C ATOM 426 O TYR A 124 15.774 19.629 -8.243 1.00 2.45 O ATOM 427 CB TYR A 124 15.810 22.555 -9.863 1.00 3.13 C ATOM 428 CG TYR A 124 17.164 22.856 -9.261 1.00 2.34 C ATOM 429 CD1 TYR A 124 17.983 21.834 -8.796 1.00 13.44 C ATOM 430 CD2 TYR A 124 17.625 24.163 -9.158 1.00 2.14 C ATOM 431 CE1 TYR A 124 19.220 22.105 -8.244 1.00 51.21 C ATOM 432 CE2 TYR A 124 18.862 24.443 -8.609 1.00 12.12 C ATOM 433 CZ TYR A 124 19.655 23.411 -8.153 1.00 61.11 C ATOM 434 OH TYR A 124 20.888 23.685 -7.606 1.00 35.33 O ATOM 0 H TYR A 124 15.708 21.563 -7.015 1.00 53.22 H new ATOM 0 HA TYR A 124 13.855 21.950 -9.206 1.00 53.42 H new ATOM 0 HB2 TYR A 124 15.949 22.001 -10.791 1.00 3.13 H new ATOM 0 HB3 TYR A 124 15.320 23.494 -10.123 1.00 3.13 H new ATOM 0 HD1 TYR A 124 17.647 20.810 -8.867 1.00 13.44 H new ATOM 0 HD2 TYR A 124 17.006 24.974 -9.513 1.00 2.14 H new ATOM 0 HE1 TYR A 124 19.843 21.299 -7.886 1.00 51.21 H new ATOM 0 HE2 TYR A 124 19.206 25.464 -8.537 1.00 12.12 H new ATOM 0 HH TYR A 124 21.043 24.653 -7.617 1.00 35.33 H new ATOM 444 N CYS A 125 14.699 19.704 -10.217 1.00 53.43 N ATOM 445 CA CYS A 125 14.888 18.287 -10.499 1.00 73.43 C ATOM 446 C CYS A 125 16.349 17.986 -10.820 1.00 21.13 C ATOM 447 O CYS A 125 16.795 18.159 -11.954 1.00 72.01 O ATOM 448 CB CYS A 125 13.999 17.854 -11.667 1.00 53.50 C ATOM 449 SG CYS A 125 12.460 17.021 -11.161 1.00 60.23 S ATOM 0 H CYS A 125 14.190 20.213 -10.940 1.00 53.43 H new ATOM 0 HA CYS A 125 14.606 17.725 -9.609 1.00 73.43 H new ATOM 0 HB2 CYS A 125 13.746 18.732 -12.262 1.00 53.50 H new ATOM 0 HB3 CYS A 125 14.567 17.184 -12.313 1.00 53.50 H new ATOM 454 N ARG A 126 17.089 17.534 -9.812 1.00 41.43 N ATOM 455 CA ARG A 126 18.500 17.210 -9.986 1.00 51.30 C ATOM 456 C ARG A 126 18.712 15.699 -10.004 1.00 5.44 C ATOM 457 O ARG A 126 18.152 14.973 -9.183 1.00 14.32 O ATOM 458 CB ARG A 126 19.331 17.840 -8.867 1.00 3.11 C ATOM 459 CG ARG A 126 20.822 17.873 -9.160 1.00 63.15 C ATOM 460 CD ARG A 126 21.187 19.044 -10.059 1.00 65.01 C ATOM 461 NE ARG A 126 21.358 18.634 -11.450 1.00 72.14 N ATOM 462 CZ ARG A 126 22.451 18.038 -11.912 1.00 64.13 C ATOM 463 NH1 ARG A 126 23.466 17.783 -11.098 1.00 10.43 N ATOM 464 NH2 ARG A 126 22.531 17.695 -13.192 1.00 24.34 N ATOM 0 H ARG A 126 16.735 17.384 -8.867 1.00 41.43 H new ATOM 0 HA ARG A 126 18.826 17.616 -10.944 1.00 51.30 H new ATOM 0 HB2 ARG A 126 18.981 18.858 -8.695 1.00 3.11 H new ATOM 0 HB3 ARG A 126 19.163 17.285 -7.944 1.00 3.11 H new ATOM 0 HG2 ARG A 126 21.376 17.945 -8.224 1.00 63.15 H new ATOM 0 HG3 ARG A 126 21.121 16.940 -9.637 1.00 63.15 H new ATOM 0 HD2 ARG A 126 20.408 19.804 -9.998 1.00 65.01 H new ATOM 0 HD3 ARG A 126 22.108 19.503 -9.700 1.00 65.01 H new ATOM 0 HE ARG A 126 20.596 18.815 -12.103 1.00 72.14 H new ATOM 0 HH11 ARG A 126 23.409 18.045 -10.114 1.00 10.43 H new ATOM 0 HH12 ARG A 126 24.304 17.325 -11.456 1.00 10.43 H new ATOM 0 HH21 ARG A 126 21.752 17.889 -13.822 1.00 24.34 H new ATOM 0 HH22 ARG A 126 23.371 17.237 -13.546 1.00 24.34 H new ATOM 478 N VAL A 127 19.526 15.232 -10.945 1.00 41.44 N ATOM 479 CA VAL A 127 19.813 13.808 -11.070 1.00 44.40 C ATOM 480 C VAL A 127 20.737 13.334 -9.953 1.00 54.33 C ATOM 481 O VAL A 127 21.951 13.532 -10.011 1.00 21.12 O ATOM 482 CB VAL A 127 20.461 13.483 -12.429 1.00 51.32 C ATOM 483 CG1 VAL A 127 19.431 13.566 -13.545 1.00 53.32 C ATOM 484 CG2 VAL A 127 21.629 14.420 -12.700 1.00 71.30 C ATOM 0 H VAL A 127 19.999 15.819 -11.632 1.00 41.44 H new ATOM 0 HA VAL A 127 18.859 13.285 -10.996 1.00 44.40 H new ATOM 0 HB VAL A 127 20.843 12.463 -12.395 1.00 51.32 H new ATOM 0 HG11 VAL A 127 19.907 13.333 -14.498 1.00 53.32 H new ATOM 0 HG12 VAL A 127 18.630 12.851 -13.355 1.00 53.32 H new ATOM 0 HG13 VAL A 127 19.016 14.573 -13.583 1.00 53.32 H new ATOM 0 HG21 VAL A 127 22.075 14.176 -13.664 1.00 71.30 H new ATOM 0 HG22 VAL A 127 21.273 15.450 -12.715 1.00 71.30 H new ATOM 0 HG23 VAL A 127 22.377 14.306 -11.915 1.00 71.30 H new ATOM 494 N LEU A 128 20.154 12.707 -8.938 1.00 14.34 N ATOM 495 CA LEU A 128 20.924 12.203 -7.806 1.00 11.31 C ATOM 496 C LEU A 128 21.283 10.734 -8.002 1.00 73.15 C ATOM 497 O LEU A 128 21.512 10.006 -7.037 1.00 31.13 O ATOM 498 CB LEU A 128 20.134 12.378 -6.508 1.00 31.13 C ATOM 499 CG LEU A 128 19.573 13.776 -6.246 1.00 52.13 C ATOM 500 CD1 LEU A 128 18.166 13.689 -5.674 1.00 65.52 C ATOM 501 CD2 LEU A 128 20.486 14.550 -5.306 1.00 73.13 C ATOM 0 H LEU A 128 19.151 12.535 -8.875 1.00 14.34 H new ATOM 0 HA LEU A 128 21.848 12.778 -7.742 1.00 11.31 H new ATOM 0 HB2 LEU A 128 19.305 11.671 -6.513 1.00 31.13 H new ATOM 0 HB3 LEU A 128 20.780 12.106 -5.674 1.00 31.13 H new ATOM 0 HG LEU A 128 19.525 14.310 -7.195 1.00 52.13 H new ATOM 0 HD11 LEU A 128 17.784 14.694 -5.494 1.00 65.52 H new ATOM 0 HD12 LEU A 128 17.516 13.175 -6.382 1.00 65.52 H new ATOM 0 HD13 LEU A 128 18.189 13.136 -4.735 1.00 65.52 H new ATOM 0 HD21 LEU A 128 20.071 15.543 -5.131 1.00 73.13 H new ATOM 0 HD22 LEU A 128 20.567 14.018 -4.358 1.00 73.13 H new ATOM 0 HD23 LEU A 128 21.475 14.644 -5.755 1.00 73.13 H new ATOM 513 N SER A 129 21.332 10.305 -9.260 1.00 15.13 N ATOM 514 CA SER A 129 21.661 8.922 -9.583 1.00 62.03 C ATOM 515 C SER A 129 23.097 8.809 -10.088 1.00 13.34 C ATOM 516 O SER A 129 23.847 7.927 -9.669 1.00 32.50 O ATOM 517 CB SER A 129 20.694 8.378 -10.637 1.00 3.21 C ATOM 518 OG SER A 129 20.902 6.993 -10.853 1.00 50.22 O ATOM 0 H SER A 129 21.148 10.895 -10.071 1.00 15.13 H new ATOM 0 HA SER A 129 21.566 8.330 -8.673 1.00 62.03 H new ATOM 0 HB2 SER A 129 19.667 8.549 -10.315 1.00 3.21 H new ATOM 0 HB3 SER A 129 20.829 8.920 -11.573 1.00 3.21 H new ATOM 0 HG SER A 129 20.271 6.669 -11.529 1.00 50.22 H new ATOM 524 N LEU A 130 23.472 9.709 -10.989 1.00 44.53 N ATOM 525 CA LEU A 130 24.818 9.713 -11.552 1.00 62.13 C ATOM 526 C LEU A 130 25.098 8.414 -12.302 1.00 3.24 C ATOM 527 O LEU A 130 26.252 8.023 -12.476 1.00 54.45 O ATOM 528 CB LEU A 130 25.855 9.910 -10.445 1.00 20.11 C ATOM 529 CG LEU A 130 25.578 11.046 -9.460 1.00 54.31 C ATOM 530 CD1 LEU A 130 26.336 10.824 -8.161 1.00 32.42 C ATOM 531 CD2 LEU A 130 25.951 12.387 -10.075 1.00 11.55 C ATOM 0 H LEU A 130 22.863 10.446 -11.346 1.00 44.53 H new ATOM 0 HA LEU A 130 24.888 10.541 -12.258 1.00 62.13 H new ATOM 0 HB2 LEU A 130 25.937 8.980 -9.882 1.00 20.11 H new ATOM 0 HB3 LEU A 130 26.824 10.088 -10.910 1.00 20.11 H new ATOM 0 HG LEU A 130 24.511 11.055 -9.236 1.00 54.31 H new ATOM 0 HD11 LEU A 130 26.126 11.643 -7.473 1.00 32.42 H new ATOM 0 HD12 LEU A 130 26.020 9.882 -7.712 1.00 32.42 H new ATOM 0 HD13 LEU A 130 27.406 10.787 -8.366 1.00 32.42 H new ATOM 0 HD21 LEU A 130 25.747 13.184 -9.360 1.00 11.55 H new ATOM 0 HD22 LEU A 130 27.011 12.389 -10.328 1.00 11.55 H new ATOM 0 HD23 LEU A 130 25.362 12.550 -10.978 1.00 11.55 H new ATOM 543 N ASN A 131 24.035 7.751 -12.744 1.00 32.12 N ATOM 544 CA ASN A 131 24.166 6.497 -13.476 1.00 63.33 C ATOM 545 C ASN A 131 23.520 6.601 -14.854 1.00 52.12 C ATOM 546 O ASN A 131 23.995 6.006 -15.822 1.00 1.11 O ATOM 547 CB ASN A 131 23.529 5.352 -12.687 1.00 34.32 C ATOM 548 CG ASN A 131 23.886 3.991 -13.252 1.00 74.52 C ATOM 549 OD1 ASN A 131 24.888 3.840 -13.951 1.00 74.25 O ATOM 550 ND2 ASN A 131 23.065 2.991 -12.951 1.00 55.22 N ATOM 0 H ASN A 131 23.073 8.061 -12.608 1.00 32.12 H new ATOM 0 HA ASN A 131 25.228 6.292 -13.607 1.00 63.33 H new ATOM 0 HB2 ASN A 131 23.852 5.407 -11.648 1.00 34.32 H new ATOM 0 HB3 ASN A 131 22.446 5.471 -12.690 1.00 34.32 H new ATOM 0 HD21 ASN A 131 23.254 2.052 -13.303 1.00 55.22 H new ATOM 0 HD22 ASN A 131 22.246 3.162 -12.368 1.00 55.22 H new ATOM 557 N CYS A 132 22.433 7.362 -14.936 1.00 24.12 N ATOM 558 CA CYS A 132 21.721 7.546 -16.194 1.00 74.42 C ATOM 559 C CYS A 132 22.486 8.486 -17.121 1.00 10.24 C ATOM 560 O CYS A 132 22.084 9.631 -17.328 1.00 3.33 O ATOM 561 CB CYS A 132 20.318 8.098 -15.934 1.00 52.10 C ATOM 562 SG CYS A 132 19.146 6.870 -15.273 1.00 11.24 S ATOM 0 H CYS A 132 22.026 7.861 -14.145 1.00 24.12 H new ATOM 0 HA CYS A 132 21.638 6.574 -16.680 1.00 74.42 H new ATOM 0 HB2 CYS A 132 20.391 8.929 -15.233 1.00 52.10 H new ATOM 0 HB3 CYS A 132 19.919 8.500 -16.865 1.00 52.10 H new