USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=8 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=-0.00938 USER MOD Single : A 98 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.4) USER MOD Single : A 99 SER OG : rot 180:sc= -0.54 USER MOD Single : A 101 LYS NZ :NH3+ -153:sc= -0.689 (180deg=-1.3) 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 -49:sc= 1.68 USER MOD Single : A 129 SER OG : rot 125:sc= 0.531 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.977 20.954 -20.342 1.00 42.32 N ATOM 2 CA CYS A 93 9.168 20.784 -18.907 1.00 53.22 C ATOM 3 C CYS A 93 10.624 21.023 -18.520 1.00 44.15 C ATOM 4 O CYS A 93 11.490 21.180 -19.383 1.00 12.23 O ATOM 5 CB CYS A 93 8.739 19.381 -18.477 1.00 73.14 C ATOM 6 SG CYS A 93 9.327 18.053 -19.578 1.00 54.44 S ATOM 0 HA CYS A 93 8.548 21.519 -18.394 1.00 53.22 H new ATOM 0 HB2 CYS A 93 9.108 19.193 -17.469 1.00 73.14 H new ATOM 0 HB3 CYS A 93 7.651 19.344 -18.430 1.00 73.14 H new ATOM 11 N VAL A 94 10.889 21.051 -17.218 1.00 72.31 N ATOM 12 CA VAL A 94 12.240 21.268 -16.716 1.00 12.33 C ATOM 13 C VAL A 94 13.196 20.196 -17.227 1.00 2.13 C ATOM 14 O VAL A 94 12.928 19.002 -17.103 1.00 72.24 O ATOM 15 CB VAL A 94 12.272 21.278 -15.176 1.00 43.41 C ATOM 16 CG1 VAL A 94 13.668 20.948 -14.668 1.00 51.35 C ATOM 17 CG2 VAL A 94 11.806 22.624 -14.643 1.00 31.13 C ATOM 0 H VAL A 94 10.185 20.926 -16.491 1.00 72.31 H new ATOM 0 HA VAL A 94 12.561 22.242 -17.085 1.00 12.33 H new ATOM 0 HB VAL A 94 11.588 20.512 -14.811 1.00 43.41 H new ATOM 0 HG11 VAL A 94 13.671 20.960 -13.578 1.00 51.35 H new ATOM 0 HG12 VAL A 94 13.959 19.959 -15.021 1.00 51.35 H new ATOM 0 HG13 VAL A 94 14.375 21.689 -15.041 1.00 51.35 H new ATOM 0 HG21 VAL A 94 11.835 22.614 -13.553 1.00 31.13 H new ATOM 0 HG22 VAL A 94 12.463 23.410 -15.016 1.00 31.13 H new ATOM 0 HG23 VAL A 94 10.786 22.814 -14.977 1.00 31.13 H new ATOM 27 N ALA A 95 14.313 20.632 -17.800 1.00 42.51 N ATOM 28 CA ALA A 95 15.311 19.710 -18.327 1.00 74.15 C ATOM 29 C ALA A 95 16.131 19.087 -17.203 1.00 2.02 C ATOM 30 O ALA A 95 16.028 17.890 -16.933 1.00 72.31 O ATOM 31 CB ALA A 95 16.221 20.425 -19.315 1.00 2.35 C ATOM 0 H ALA A 95 14.549 21.618 -17.911 1.00 42.51 H new ATOM 0 HA ALA A 95 14.789 18.907 -18.847 1.00 74.15 H new ATOM 0 HB1 ALA A 95 16.961 19.724 -19.701 1.00 2.35 H new ATOM 0 HB2 ALA A 95 15.626 20.815 -20.141 1.00 2.35 H new ATOM 0 HB3 ALA A 95 16.728 21.249 -18.812 1.00 2.35 H new ATOM 37 N THR A 96 16.948 19.907 -16.549 1.00 43.24 N ATOM 38 CA THR A 96 17.788 19.436 -15.455 1.00 5.04 C ATOM 39 C THR A 96 18.273 20.597 -14.595 1.00 42.32 C ATOM 40 O THR A 96 18.546 21.687 -15.101 1.00 75.21 O ATOM 41 CB THR A 96 19.009 18.656 -15.980 1.00 11.33 C ATOM 42 OG1 THR A 96 18.607 17.760 -17.022 1.00 2.42 O ATOM 43 CG2 THR A 96 19.673 17.873 -14.858 1.00 23.43 C ATOM 0 H THR A 96 17.046 20.901 -16.758 1.00 43.24 H new ATOM 0 HA THR A 96 17.174 18.770 -14.849 1.00 5.04 H new ATOM 0 HB THR A 96 19.728 19.373 -16.376 1.00 11.33 H new ATOM 0 HG1 THR A 96 17.700 17.435 -16.842 1.00 2.42 H new ATOM 0 HG21 THR A 96 20.532 17.330 -15.252 1.00 23.43 H new ATOM 0 HG22 THR A 96 20.004 18.561 -14.080 1.00 23.43 H new ATOM 0 HG23 THR A 96 18.959 17.165 -14.436 1.00 23.43 H new ATOM 51 N ARG A 97 18.379 20.360 -13.292 1.00 34.53 N ATOM 52 CA ARG A 97 18.831 21.386 -12.362 1.00 14.13 C ATOM 53 C ARG A 97 18.267 22.751 -12.744 1.00 5.53 C ATOM 54 O ARG A 97 18.965 23.763 -12.676 1.00 34.11 O ATOM 55 CB ARG A 97 20.360 21.443 -12.333 1.00 73.04 C ATOM 56 CG ARG A 97 20.973 21.978 -13.617 1.00 51.14 C ATOM 57 CD ARG A 97 21.372 20.850 -14.556 1.00 20.14 C ATOM 58 NE ARG A 97 22.691 21.070 -15.144 1.00 33.42 N ATOM 59 CZ ARG A 97 23.394 20.118 -15.746 1.00 60.25 C ATOM 60 NH1 ARG A 97 22.908 18.888 -15.839 1.00 72.32 N ATOM 61 NH2 ARG A 97 24.586 20.395 -16.258 1.00 44.41 N ATOM 0 H ARG A 97 18.157 19.465 -12.856 1.00 34.53 H new ATOM 0 HA ARG A 97 18.466 21.126 -11.368 1.00 14.13 H new ATOM 0 HB2 ARG A 97 20.676 22.071 -11.500 1.00 73.04 H new ATOM 0 HB3 ARG A 97 20.749 20.443 -12.144 1.00 73.04 H new ATOM 0 HG2 ARG A 97 20.260 22.634 -14.116 1.00 51.14 H new ATOM 0 HG3 ARG A 97 21.849 22.582 -13.379 1.00 51.14 H new ATOM 0 HD2 ARG A 97 21.371 19.906 -14.011 1.00 20.14 H new ATOM 0 HD3 ARG A 97 20.631 20.760 -15.350 1.00 20.14 H new ATOM 0 HE ARG A 97 23.094 22.006 -15.089 1.00 33.42 H new ATOM 0 HH11 ARG A 97 21.992 18.671 -15.447 1.00 72.32 H new ATOM 0 HH12 ARG A 97 23.451 18.159 -16.302 1.00 72.32 H new ATOM 0 HH21 ARG A 97 24.963 21.340 -16.189 1.00 44.41 H new ATOM 0 HH22 ARG A 97 25.125 19.663 -16.720 1.00 44.41 H new ATOM 75 N ASN A 98 17.001 22.773 -13.145 1.00 74.33 N ATOM 76 CA ASN A 98 16.344 24.013 -13.540 1.00 42.33 C ATOM 77 C ASN A 98 15.345 24.462 -12.477 1.00 63.22 C ATOM 78 O ASN A 98 15.544 25.481 -11.815 1.00 34.23 O ATOM 79 CB ASN A 98 15.631 23.833 -14.882 1.00 14.34 C ATOM 80 CG ASN A 98 15.524 25.131 -15.659 1.00 3.42 C ATOM 81 OD1 ASN A 98 15.819 26.206 -15.137 1.00 34.05 O ATOM 82 ND2 ASN A 98 15.101 25.036 -16.914 1.00 55.41 N ATOM 0 H ASN A 98 16.409 21.945 -13.205 1.00 74.33 H new ATOM 0 HA ASN A 98 17.109 24.783 -13.643 1.00 42.33 H new ATOM 0 HB2 ASN A 98 16.169 23.098 -15.480 1.00 14.34 H new ATOM 0 HB3 ASN A 98 14.632 23.433 -14.709 1.00 14.34 H new ATOM 0 HD21 ASN A 98 15.010 25.875 -17.486 1.00 55.41 H new ATOM 0 HD22 ASN A 98 14.867 24.124 -17.306 1.00 55.41 H new ATOM 89 N SER A 99 14.272 23.694 -12.319 1.00 43.12 N ATOM 90 CA SER A 99 13.240 24.013 -11.339 1.00 44.13 C ATOM 91 C SER A 99 12.407 22.779 -11.006 1.00 42.34 C ATOM 92 O SER A 99 12.179 21.921 -11.859 1.00 21.13 O ATOM 93 CB SER A 99 12.334 25.127 -11.867 1.00 50.21 C ATOM 94 OG SER A 99 12.996 25.899 -12.854 1.00 2.35 O ATOM 0 H SER A 99 14.094 22.846 -12.857 1.00 43.12 H new ATOM 0 HA SER A 99 13.731 24.355 -10.428 1.00 44.13 H new ATOM 0 HB2 SER A 99 11.427 24.693 -12.288 1.00 50.21 H new ATOM 0 HB3 SER A 99 12.027 25.771 -11.043 1.00 50.21 H new ATOM 0 HG SER A 99 12.395 26.603 -13.176 1.00 2.35 H new ATOM 100 N CYS A 100 11.956 22.699 -9.759 1.00 72.41 N ATOM 101 CA CYS A 100 11.148 21.571 -9.310 1.00 3.12 C ATOM 102 C CYS A 100 9.661 21.906 -9.378 1.00 71.50 C ATOM 103 O CYS A 100 8.991 21.612 -10.369 1.00 22.44 O ATOM 104 CB CYS A 100 11.529 21.181 -7.880 1.00 21.11 C ATOM 105 SG CYS A 100 12.415 19.593 -7.753 1.00 54.24 S ATOM 0 H CYS A 100 12.136 23.401 -9.042 1.00 72.41 H new ATOM 0 HA CYS A 100 11.344 20.729 -9.974 1.00 3.12 H new ATOM 0 HB2 CYS A 100 12.152 21.967 -7.454 1.00 21.11 H new ATOM 0 HB3 CYS A 100 10.624 21.129 -7.275 1.00 21.11 H new ATOM 110 N LYS A 101 9.150 22.523 -8.318 1.00 23.23 N ATOM 111 CA LYS A 101 7.742 22.900 -8.256 1.00 24.03 C ATOM 112 C LYS A 101 6.931 22.148 -9.306 1.00 1.03 C ATOM 113 O LYS A 101 6.431 22.727 -10.271 1.00 3.32 O ATOM 114 CB LYS A 101 7.589 24.409 -8.460 1.00 72.34 C ATOM 115 CG LYS A 101 8.258 24.922 -9.723 1.00 45.23 C ATOM 116 CD LYS A 101 9.732 25.212 -9.495 1.00 21.50 C ATOM 117 CE LYS A 101 9.945 26.085 -8.267 1.00 63.12 C ATOM 118 NZ LYS A 101 8.932 27.172 -8.178 1.00 33.12 N ATOM 0 H LYS A 101 9.690 22.773 -7.489 1.00 23.23 H new ATOM 0 HA LYS A 101 7.362 22.633 -7.270 1.00 24.03 H new ATOM 0 HB2 LYS A 101 6.528 24.657 -8.494 1.00 72.34 H new ATOM 0 HB3 LYS A 101 8.010 24.928 -7.599 1.00 72.34 H new ATOM 0 HG2 LYS A 101 8.150 24.184 -10.518 1.00 45.23 H new ATOM 0 HG3 LYS A 101 7.756 25.829 -10.059 1.00 45.23 H new ATOM 0 HD2 LYS A 101 10.274 24.274 -9.374 1.00 21.50 H new ATOM 0 HD3 LYS A 101 10.146 25.709 -10.372 1.00 21.50 H new ATOM 0 HE2 LYS A 101 9.896 25.468 -7.370 1.00 63.12 H new ATOM 0 HE3 LYS A 101 10.944 26.521 -8.300 1.00 63.12 H new ATOM 0 HZ1 LYS A 101 9.332 27.977 -7.655 1.00 33.12 H new ATOM 0 HZ2 LYS A 101 8.667 27.479 -9.136 1.00 33.12 H new ATOM 0 HZ3 LYS A 101 8.089 26.821 -7.681 1.00 33.12 H new ATOM 132 N PRO A 102 6.795 20.828 -9.116 1.00 33.32 N ATOM 133 CA PRO A 102 6.042 19.969 -10.035 1.00 0.04 C ATOM 134 C PRO A 102 4.542 20.232 -9.976 1.00 73.53 C ATOM 135 O PRO A 102 3.790 19.461 -9.380 1.00 31.24 O ATOM 136 CB PRO A 102 6.358 18.555 -9.538 1.00 72.04 C ATOM 137 CG PRO A 102 6.699 18.727 -8.099 1.00 35.14 C ATOM 138 CD PRO A 102 7.364 20.070 -7.987 1.00 43.24 C ATOM 0 HA PRO A 102 6.320 20.142 -11.075 1.00 0.04 H new ATOM 0 HB2 PRO A 102 5.504 17.890 -9.666 1.00 72.04 H new ATOM 0 HB3 PRO A 102 7.188 18.117 -10.092 1.00 72.04 H new ATOM 0 HG2 PRO A 102 5.804 18.682 -7.478 1.00 35.14 H new ATOM 0 HG3 PRO A 102 7.364 17.933 -7.758 1.00 35.14 H new ATOM 0 HD2 PRO A 102 7.146 20.548 -7.032 1.00 43.24 H new ATOM 0 HD3 PRO A 102 8.448 19.989 -8.063 1.00 43.24 H new ATOM 146 N ALA A 103 4.112 21.323 -10.600 1.00 62.23 N ATOM 147 CA ALA A 103 2.700 21.685 -10.621 1.00 11.20 C ATOM 148 C ALA A 103 1.896 20.713 -11.477 1.00 23.24 C ATOM 149 O ALA A 103 0.881 20.175 -11.034 1.00 44.34 O ATOM 150 CB ALA A 103 2.528 23.108 -11.133 1.00 70.31 C ATOM 0 H ALA A 103 4.721 21.972 -11.098 1.00 62.23 H new ATOM 0 HA ALA A 103 2.321 21.628 -9.601 1.00 11.20 H new ATOM 0 HB1 ALA A 103 1.469 23.365 -11.144 1.00 70.31 H new ATOM 0 HB2 ALA A 103 3.062 23.797 -10.479 1.00 70.31 H new ATOM 0 HB3 ALA A 103 2.929 23.182 -12.144 1.00 70.31 H new ATOM 156 N ALA A 104 2.356 20.491 -12.703 1.00 64.51 N ATOM 157 CA ALA A 104 1.680 19.581 -13.620 1.00 24.40 C ATOM 158 C ALA A 104 2.679 18.891 -14.543 1.00 74.43 C ATOM 159 O ALA A 104 2.570 17.694 -14.807 1.00 32.40 O ATOM 160 CB ALA A 104 0.637 20.331 -14.434 1.00 52.31 C ATOM 0 H ALA A 104 3.194 20.929 -13.085 1.00 64.51 H new ATOM 0 HA ALA A 104 1.180 18.813 -13.029 1.00 24.40 H new ATOM 0 HB1 ALA A 104 0.140 19.639 -15.114 1.00 52.31 H new ATOM 0 HB2 ALA A 104 -0.100 20.772 -13.763 1.00 52.31 H new ATOM 0 HB3 ALA A 104 1.122 21.120 -15.009 1.00 52.31 H new ATOM 166 N ALA A 105 3.650 19.653 -15.033 1.00 42.11 N ATOM 167 CA ALA A 105 4.668 19.114 -15.927 1.00 4.51 C ATOM 168 C ALA A 105 5.878 20.040 -16.003 1.00 53.31 C ATOM 169 O ALA A 105 6.130 20.661 -17.035 1.00 43.22 O ATOM 170 CB ALA A 105 4.085 18.887 -17.314 1.00 4.34 C ATOM 0 H ALA A 105 3.754 20.646 -14.826 1.00 42.11 H new ATOM 0 HA ALA A 105 5.001 18.157 -15.524 1.00 4.51 H new ATOM 0 HB1 ALA A 105 4.856 18.484 -17.971 1.00 4.34 H new ATOM 0 HB2 ALA A 105 3.258 18.180 -17.250 1.00 4.34 H new ATOM 0 HB3 ALA A 105 3.723 19.833 -17.716 1.00 4.34 H new ATOM 176 N ALA A 106 6.620 20.128 -14.905 1.00 25.34 N ATOM 177 CA ALA A 106 7.804 20.978 -14.849 1.00 74.20 C ATOM 178 C ALA A 106 8.928 20.302 -14.070 1.00 75.13 C ATOM 179 O ALA A 106 9.553 20.916 -13.204 1.00 71.15 O ATOM 180 CB ALA A 106 7.459 22.322 -14.225 1.00 20.41 C ATOM 0 H ALA A 106 6.423 19.622 -14.042 1.00 25.34 H new ATOM 0 HA ALA A 106 8.153 21.143 -15.869 1.00 74.20 H new ATOM 0 HB1 ALA A 106 8.352 22.946 -14.189 1.00 20.41 H new ATOM 0 HB2 ALA A 106 6.694 22.816 -14.825 1.00 20.41 H new ATOM 0 HB3 ALA A 106 7.083 22.168 -13.213 1.00 20.41 H new ATOM 186 N CYS A 107 9.179 19.035 -14.382 1.00 13.54 N ATOM 187 CA CYS A 107 10.226 18.275 -13.710 1.00 1.20 C ATOM 188 C CYS A 107 10.343 16.873 -14.299 1.00 31.32 C ATOM 189 O CYS A 107 10.661 15.915 -13.592 1.00 52.32 O ATOM 190 CB CYS A 107 9.941 18.190 -12.209 1.00 70.44 C ATOM 191 SG CYS A 107 11.433 18.213 -11.165 1.00 65.33 S ATOM 0 H CYS A 107 8.671 18.513 -15.096 1.00 13.54 H new ATOM 0 HA CYS A 107 11.172 18.794 -13.863 1.00 1.20 H new ATOM 0 HB2 CYS A 107 9.299 19.024 -11.924 1.00 70.44 H new ATOM 0 HB3 CYS A 107 9.384 17.275 -12.007 1.00 70.44 H new ATOM 196 N CYS A 108 10.084 16.758 -15.597 1.00 31.04 N ATOM 197 CA CYS A 108 10.159 15.473 -16.281 1.00 51.13 C ATOM 198 C CYS A 108 11.548 14.860 -16.137 1.00 24.04 C ATOM 199 O CYS A 108 12.504 15.304 -16.773 1.00 44.42 O ATOM 200 CB CYS A 108 9.815 15.640 -17.763 1.00 5.24 C ATOM 201 SG CYS A 108 10.722 16.987 -18.589 1.00 14.32 S ATOM 0 H CYS A 108 9.820 17.540 -16.197 1.00 31.04 H new ATOM 0 HA CYS A 108 9.435 14.801 -15.819 1.00 51.13 H new ATOM 0 HB2 CYS A 108 10.024 14.704 -18.281 1.00 5.24 H new ATOM 0 HB3 CYS A 108 8.745 15.825 -17.858 1.00 5.24 H new ATOM 206 N ASP A 109 11.653 13.837 -15.295 1.00 73.23 N ATOM 207 CA ASP A 109 12.925 13.161 -15.068 1.00 30.25 C ATOM 208 C ASP A 109 12.756 11.999 -14.093 1.00 65.11 C ATOM 209 O ASP A 109 13.022 12.117 -12.897 1.00 71.32 O ATOM 210 CB ASP A 109 13.963 14.148 -14.529 1.00 54.54 C ATOM 211 CG ASP A 109 15.283 14.061 -15.268 1.00 53.01 C ATOM 212 OD1 ASP A 109 15.794 12.935 -15.439 1.00 64.35 O ATOM 213 OD2 ASP A 109 15.804 15.120 -15.677 1.00 1.14 O ATOM 0 H ASP A 109 10.872 13.458 -14.759 1.00 73.23 H new ATOM 0 HA ASP A 109 13.273 12.765 -16.022 1.00 30.25 H new ATOM 0 HB2 ASP A 109 13.571 15.162 -14.609 1.00 54.54 H new ATOM 0 HB3 ASP A 109 14.130 13.953 -13.470 1.00 54.54 H new ATOM 218 N PRO A 110 12.303 10.850 -14.616 1.00 40.52 N ATOM 219 CA PRO A 110 12.088 9.645 -13.810 1.00 1.33 C ATOM 220 C PRO A 110 13.397 9.025 -13.332 1.00 4.24 C ATOM 221 O PRO A 110 13.398 8.077 -12.547 1.00 74.14 O ATOM 222 CB PRO A 110 11.369 8.697 -14.772 1.00 51.43 C ATOM 223 CG PRO A 110 11.785 9.149 -16.130 1.00 21.00 C ATOM 224 CD PRO A 110 11.966 10.638 -16.033 1.00 4.00 C ATOM 0 HA PRO A 110 11.526 9.859 -12.901 1.00 1.33 H new ATOM 0 HB2 PRO A 110 11.656 7.660 -14.595 1.00 51.43 H new ATOM 0 HB3 PRO A 110 10.287 8.754 -14.650 1.00 51.43 H new ATOM 0 HG2 PRO A 110 12.711 8.662 -16.437 1.00 21.00 H new ATOM 0 HG3 PRO A 110 11.030 8.895 -16.874 1.00 21.00 H new ATOM 0 HD2 PRO A 110 12.760 10.990 -16.692 1.00 4.00 H new ATOM 0 HD3 PRO A 110 11.058 11.172 -16.314 1.00 4.00 H new ATOM 232 N CYS A 111 14.512 9.569 -13.810 1.00 12.04 N ATOM 233 CA CYS A 111 15.829 9.070 -13.431 1.00 41.24 C ATOM 234 C CYS A 111 16.564 10.084 -12.560 1.00 24.51 C ATOM 235 O CYS A 111 17.721 9.877 -12.191 1.00 70.24 O ATOM 236 CB CYS A 111 16.657 8.759 -14.680 1.00 60.35 C ATOM 237 SG CYS A 111 16.964 6.983 -14.945 1.00 34.52 S ATOM 0 H CYS A 111 14.530 10.355 -14.460 1.00 12.04 H new ATOM 0 HA CYS A 111 15.692 8.154 -12.856 1.00 41.24 H new ATOM 0 HB2 CYS A 111 16.144 9.162 -15.553 1.00 60.35 H new ATOM 0 HB3 CYS A 111 17.614 9.275 -14.606 1.00 60.35 H new ATOM 242 N ALA A 112 15.886 11.179 -12.234 1.00 62.22 N ATOM 243 CA ALA A 112 16.474 12.224 -11.405 1.00 30.42 C ATOM 244 C ALA A 112 15.760 12.323 -10.061 1.00 11.23 C ATOM 245 O ALA A 112 14.940 11.471 -9.718 1.00 23.13 O ATOM 246 CB ALA A 112 16.430 13.561 -12.129 1.00 34.24 C ATOM 0 H ALA A 112 14.928 11.366 -12.531 1.00 62.22 H new ATOM 0 HA ALA A 112 17.515 11.962 -11.216 1.00 30.42 H new ATOM 0 HB1 ALA A 112 16.873 14.331 -11.498 1.00 34.24 H new ATOM 0 HB2 ALA A 112 16.991 13.489 -13.061 1.00 34.24 H new ATOM 0 HB3 ALA A 112 15.395 13.822 -12.348 1.00 34.24 H new ATOM 252 N SER A 113 16.078 13.369 -9.303 1.00 72.55 N ATOM 253 CA SER A 113 15.469 13.578 -7.995 1.00 31.31 C ATOM 254 C SER A 113 15.371 15.065 -7.672 1.00 50.11 C ATOM 255 O SER A 113 16.244 15.851 -8.041 1.00 44.13 O ATOM 256 CB SER A 113 16.280 12.861 -6.912 1.00 42.31 C ATOM 257 OG SER A 113 15.501 12.651 -5.747 1.00 3.32 O ATOM 0 H SER A 113 16.754 14.084 -9.573 1.00 72.55 H new ATOM 0 HA SER A 113 14.461 13.163 -8.020 1.00 31.31 H new ATOM 0 HB2 SER A 113 16.635 11.904 -7.293 1.00 42.31 H new ATOM 0 HB3 SER A 113 17.161 13.452 -6.662 1.00 42.31 H new ATOM 0 HG SER A 113 16.041 12.190 -5.071 1.00 3.32 H new ATOM 263 N CYS A 114 14.302 15.445 -6.981 1.00 12.11 N ATOM 264 CA CYS A 114 14.087 16.838 -6.608 1.00 60.51 C ATOM 265 C CYS A 114 15.172 17.318 -5.648 1.00 70.13 C ATOM 266 O CYS A 114 15.063 17.141 -4.434 1.00 63.11 O ATOM 267 CB CYS A 114 12.710 17.009 -5.964 1.00 75.45 C ATOM 268 SG CYS A 114 12.060 18.709 -6.039 1.00 61.23 S ATOM 0 H CYS A 114 13.570 14.807 -6.668 1.00 12.11 H new ATOM 0 HA CYS A 114 14.135 17.442 -7.514 1.00 60.51 H new ATOM 0 HB2 CYS A 114 12.005 16.340 -6.457 1.00 75.45 H new ATOM 0 HB3 CYS A 114 12.768 16.699 -4.921 1.00 75.45 H new ATOM 273 N TYR A 115 16.216 17.925 -6.201 1.00 21.33 N ATOM 274 CA TYR A 115 17.322 18.427 -5.395 1.00 0.45 C ATOM 275 C TYR A 115 17.010 19.818 -4.848 1.00 40.11 C ATOM 276 O TYR A 115 16.513 20.684 -5.570 1.00 21.13 O ATOM 277 CB TYR A 115 18.607 18.470 -6.223 1.00 4.11 C ATOM 278 CG TYR A 115 19.821 18.908 -5.435 1.00 63.24 C ATOM 279 CD1 TYR A 115 20.025 20.246 -5.123 1.00 3.55 C ATOM 280 CD2 TYR A 115 20.764 17.983 -5.005 1.00 4.23 C ATOM 281 CE1 TYR A 115 21.133 20.651 -4.404 1.00 21.44 C ATOM 282 CE2 TYR A 115 21.876 18.379 -4.285 1.00 34.13 C ATOM 283 CZ TYR A 115 22.055 19.713 -3.987 1.00 42.30 C ATOM 284 OH TYR A 115 23.159 20.113 -3.270 1.00 25.53 O ATOM 0 H TYR A 115 16.319 18.081 -7.204 1.00 21.33 H new ATOM 0 HA TYR A 115 17.462 17.748 -4.554 1.00 0.45 H new ATOM 0 HB2 TYR A 115 18.793 17.481 -6.641 1.00 4.11 H new ATOM 0 HB3 TYR A 115 18.465 19.150 -7.063 1.00 4.11 H new ATOM 0 HD1 TYR A 115 19.305 20.982 -5.448 1.00 3.55 H new ATOM 0 HD2 TYR A 115 20.626 16.937 -5.237 1.00 4.23 H new ATOM 0 HE1 TYR A 115 21.277 21.695 -4.170 1.00 21.44 H new ATOM 0 HE2 TYR A 115 22.600 17.647 -3.958 1.00 34.13 H new ATOM 0 HH TYR A 115 23.708 19.331 -3.052 1.00 25.53 H new ATOM 294 N CYS A 116 17.306 20.024 -3.569 1.00 54.51 N ATOM 295 CA CYS A 116 17.058 21.308 -2.924 1.00 11.00 C ATOM 296 C CYS A 116 18.321 21.828 -2.244 1.00 34.32 C ATOM 297 O CYS A 116 19.239 21.062 -1.950 1.00 22.13 O ATOM 298 CB CYS A 116 15.930 21.177 -1.899 1.00 32.12 C ATOM 299 SG CYS A 116 14.384 20.493 -2.576 1.00 53.33 S ATOM 0 H CYS A 116 17.718 19.318 -2.959 1.00 54.51 H new ATOM 0 HA CYS A 116 16.761 22.022 -3.692 1.00 11.00 H new ATOM 0 HB2 CYS A 116 16.269 20.540 -1.082 1.00 32.12 H new ATOM 0 HB3 CYS A 116 15.724 22.159 -1.474 1.00 32.12 H new ATOM 304 N ARG A 117 18.359 23.133 -1.998 1.00 44.05 N ATOM 305 CA ARG A 117 19.509 23.755 -1.354 1.00 2.11 C ATOM 306 C ARG A 117 19.075 24.584 -0.149 1.00 34.13 C ATOM 307 O ARG A 117 17.926 24.511 0.287 1.00 70.24 O ATOM 308 CB ARG A 117 20.261 24.641 -2.350 1.00 60.22 C ATOM 309 CG ARG A 117 19.349 25.424 -3.279 1.00 13.32 C ATOM 310 CD ARG A 117 18.859 26.708 -2.627 1.00 33.22 C ATOM 311 NE ARG A 117 18.750 27.802 -3.587 1.00 12.31 N ATOM 312 CZ ARG A 117 17.869 27.824 -4.580 1.00 15.11 C ATOM 313 NH1 ARG A 117 17.024 26.816 -4.743 1.00 33.44 N ATOM 314 NH2 ARG A 117 17.830 28.856 -5.413 1.00 24.24 N ATOM 0 H ARG A 117 17.607 23.780 -2.235 1.00 44.05 H new ATOM 0 HA ARG A 117 20.173 22.962 -1.009 1.00 2.11 H new ATOM 0 HB2 ARG A 117 20.890 25.340 -1.799 1.00 60.22 H new ATOM 0 HB3 ARG A 117 20.926 24.017 -2.948 1.00 60.22 H new ATOM 0 HG2 ARG A 117 19.883 25.663 -4.199 1.00 13.32 H new ATOM 0 HG3 ARG A 117 18.495 24.807 -3.557 1.00 13.32 H new ATOM 0 HD2 ARG A 117 17.887 26.532 -2.166 1.00 33.22 H new ATOM 0 HD3 ARG A 117 19.544 26.993 -1.828 1.00 33.22 H new ATOM 0 HE ARG A 117 19.386 28.594 -3.490 1.00 12.31 H new ATOM 0 HH11 ARG A 117 17.050 26.021 -4.105 1.00 33.44 H new ATOM 0 HH12 ARG A 117 16.348 26.835 -5.507 1.00 33.44 H new ATOM 0 HH21 ARG A 117 18.478 29.634 -5.291 1.00 24.24 H new ATOM 0 HH22 ARG A 117 17.152 28.871 -6.175 1.00 24.24 H new ATOM 328 N PHE A 118 20.002 25.371 0.388 1.00 51.03 N ATOM 329 CA PHE A 118 19.716 26.212 1.544 1.00 73.14 C ATOM 330 C PHE A 118 18.299 26.774 1.470 1.00 45.04 C ATOM 331 O PHE A 118 17.485 26.556 2.367 1.00 1.35 O ATOM 332 CB PHE A 118 20.728 27.357 1.631 1.00 74.54 C ATOM 333 CG PHE A 118 22.002 26.979 2.329 1.00 63.33 C ATOM 334 CD1 PHE A 118 22.078 26.983 3.712 1.00 3.04 C ATOM 335 CD2 PHE A 118 23.125 26.617 1.601 1.00 72.25 C ATOM 336 CE1 PHE A 118 23.251 26.636 4.356 1.00 10.20 C ATOM 337 CE2 PHE A 118 24.299 26.268 2.240 1.00 64.10 C ATOM 338 CZ PHE A 118 24.362 26.277 3.620 1.00 42.33 C ATOM 0 H PHE A 118 20.958 25.444 0.040 1.00 51.03 H new ATOM 0 HA PHE A 118 19.797 25.596 2.440 1.00 73.14 H new ATOM 0 HB2 PHE A 118 20.963 27.701 0.624 1.00 74.54 H new ATOM 0 HB3 PHE A 118 20.271 28.196 2.155 1.00 74.54 H new ATOM 0 HD1 PHE A 118 21.211 27.260 4.294 1.00 3.04 H new ATOM 0 HD2 PHE A 118 23.081 26.608 0.522 1.00 72.25 H new ATOM 0 HE1 PHE A 118 23.298 26.646 5.435 1.00 10.20 H new ATOM 0 HE2 PHE A 118 25.167 25.988 1.661 1.00 64.10 H new ATOM 0 HZ PHE A 118 25.278 26.004 4.122 1.00 42.33 H new ATOM 348 N PHE A 119 18.012 27.499 0.394 1.00 44.41 N ATOM 349 CA PHE A 119 16.696 28.095 0.202 1.00 14.32 C ATOM 350 C PHE A 119 15.593 27.067 0.441 1.00 21.23 C ATOM 351 O PHE A 119 14.651 27.314 1.194 1.00 24.25 O ATOM 352 CB PHE A 119 16.573 28.671 -1.211 1.00 5.34 C ATOM 353 CG PHE A 119 15.678 29.875 -1.291 1.00 71.41 C ATOM 354 CD1 PHE A 119 15.911 30.982 -0.492 1.00 3.21 C ATOM 355 CD2 PHE A 119 14.605 29.899 -2.167 1.00 14.44 C ATOM 356 CE1 PHE A 119 15.089 32.091 -0.564 1.00 54.52 C ATOM 357 CE2 PHE A 119 13.780 31.005 -2.244 1.00 34.31 C ATOM 358 CZ PHE A 119 14.022 32.103 -1.442 1.00 70.21 C ATOM 0 H PHE A 119 18.674 27.688 -0.359 1.00 44.41 H new ATOM 0 HA PHE A 119 16.582 28.901 0.927 1.00 14.32 H new ATOM 0 HB2 PHE A 119 17.565 28.941 -1.572 1.00 5.34 H new ATOM 0 HB3 PHE A 119 16.190 27.898 -1.878 1.00 5.34 H new ATOM 0 HD1 PHE A 119 16.744 30.979 0.195 1.00 3.21 H new ATOM 0 HD2 PHE A 119 14.411 29.043 -2.797 1.00 14.44 H new ATOM 0 HE1 PHE A 119 15.281 32.947 0.065 1.00 54.52 H new ATOM 0 HE2 PHE A 119 12.947 31.011 -2.931 1.00 34.31 H new ATOM 0 HZ PHE A 119 13.379 32.969 -1.501 1.00 70.21 H new ATOM 368 N ARG A 120 15.719 25.913 -0.206 1.00 53.15 N ATOM 369 CA ARG A 120 14.733 24.848 -0.066 1.00 43.44 C ATOM 370 C ARG A 120 13.371 25.296 -0.589 1.00 32.23 C ATOM 371 O ARG A 120 12.341 24.720 -0.238 1.00 11.04 O ATOM 372 CB ARG A 120 14.615 24.422 1.398 1.00 24.13 C ATOM 373 CG ARG A 120 14.010 23.041 1.583 1.00 14.03 C ATOM 374 CD ARG A 120 15.076 21.958 1.567 1.00 20.34 C ATOM 375 NE ARG A 120 14.499 20.621 1.448 1.00 1.30 N ATOM 376 CZ ARG A 120 15.216 19.504 1.482 1.00 2.52 C ATOM 377 NH1 ARG A 120 16.532 19.562 1.633 1.00 5.41 N ATOM 378 NH2 ARG A 120 14.618 18.326 1.367 1.00 51.53 N ATOM 0 H ARG A 120 16.493 25.692 -0.832 1.00 53.15 H new ATOM 0 HA ARG A 120 15.068 23.997 -0.658 1.00 43.44 H new ATOM 0 HB2 ARG A 120 15.605 24.440 1.854 1.00 24.13 H new ATOM 0 HB3 ARG A 120 14.005 25.151 1.932 1.00 24.13 H new ATOM 0 HG2 ARG A 120 13.467 23.004 2.527 1.00 14.03 H new ATOM 0 HG3 ARG A 120 13.285 22.851 0.791 1.00 14.03 H new ATOM 0 HD2 ARG A 120 15.758 22.133 0.735 1.00 20.34 H new ATOM 0 HD3 ARG A 120 15.667 22.018 2.481 1.00 20.34 H new ATOM 0 HE ARG A 120 13.489 20.541 1.332 1.00 1.30 H new ATOM 0 HH11 ARG A 120 16.996 20.466 1.723 1.00 5.41 H new ATOM 0 HH12 ARG A 120 17.081 18.703 1.659 1.00 5.41 H new ATOM 0 HH21 ARG A 120 13.606 18.277 1.252 1.00 51.53 H new ATOM 0 HH22 ARG A 120 15.170 17.469 1.393 1.00 51.53 H new ATOM 392 N SER A 121 13.374 26.326 -1.429 1.00 33.52 N ATOM 393 CA SER A 121 12.138 26.853 -1.996 1.00 3.44 C ATOM 394 C SER A 121 12.170 26.792 -3.519 1.00 63.24 C ATOM 395 O SER A 121 11.138 26.615 -4.167 1.00 11.15 O ATOM 396 CB SER A 121 11.916 28.295 -1.536 1.00 3.00 C ATOM 397 OG SER A 121 10.572 28.503 -1.140 1.00 40.10 O ATOM 0 H SER A 121 14.218 26.812 -1.732 1.00 33.52 H new ATOM 0 HA SER A 121 11.312 26.235 -1.643 1.00 3.44 H new ATOM 0 HB2 SER A 121 12.583 28.521 -0.704 1.00 3.00 H new ATOM 0 HB3 SER A 121 12.171 28.981 -2.344 1.00 3.00 H new ATOM 0 HG SER A 121 10.457 29.432 -0.849 1.00 40.10 H new ATOM 403 N ALA A 122 13.363 26.939 -4.087 1.00 32.11 N ATOM 404 CA ALA A 122 13.532 26.899 -5.533 1.00 74.14 C ATOM 405 C ALA A 122 14.285 25.645 -5.964 1.00 43.23 C ATOM 406 O ALA A 122 15.261 25.721 -6.712 1.00 21.03 O ATOM 407 CB ALA A 122 14.258 28.146 -6.015 1.00 55.23 C ATOM 0 H ALA A 122 14.227 27.087 -3.566 1.00 32.11 H new ATOM 0 HA ALA A 122 12.542 26.870 -5.988 1.00 74.14 H new ATOM 0 HB1 ALA A 122 14.377 28.102 -7.098 1.00 55.23 H new ATOM 0 HB2 ALA A 122 13.678 29.030 -5.749 1.00 55.23 H new ATOM 0 HB3 ALA A 122 15.239 28.201 -5.544 1.00 55.23 H new ATOM 413 N CYS A 123 13.828 24.492 -5.488 1.00 20.11 N ATOM 414 CA CYS A 123 14.461 23.222 -5.821 1.00 53.14 C ATOM 415 C CYS A 123 14.464 22.996 -7.330 1.00 71.14 C ATOM 416 O CYS A 123 13.865 23.763 -8.085 1.00 50.14 O ATOM 417 CB CYS A 123 13.735 22.068 -5.124 1.00 44.55 C ATOM 418 SG CYS A 123 13.551 22.287 -3.324 1.00 63.34 S ATOM 0 H CYS A 123 13.021 24.411 -4.870 1.00 20.11 H new ATOM 0 HA CYS A 123 15.493 23.257 -5.473 1.00 53.14 H new ATOM 0 HB2 CYS A 123 12.746 21.953 -5.569 1.00 44.55 H new ATOM 0 HB3 CYS A 123 14.279 21.143 -5.313 1.00 44.55 H new ATOM 423 N TYR A 124 15.142 21.939 -7.763 1.00 55.32 N ATOM 424 CA TYR A 124 15.225 21.613 -9.182 1.00 62.20 C ATOM 425 C TYR A 124 15.440 20.116 -9.386 1.00 21.32 C ATOM 426 O TYR A 124 15.896 19.414 -8.483 1.00 11.33 O ATOM 427 CB TYR A 124 16.361 22.397 -9.841 1.00 51.32 C ATOM 428 CG TYR A 124 17.590 22.529 -8.971 1.00 32.45 C ATOM 429 CD1 TYR A 124 18.464 21.462 -8.803 1.00 63.34 C ATOM 430 CD2 TYR A 124 17.877 23.720 -8.314 1.00 71.31 C ATOM 431 CE1 TYR A 124 19.589 21.577 -8.008 1.00 74.11 C ATOM 432 CE2 TYR A 124 18.999 23.845 -7.519 1.00 63.34 C ATOM 433 CZ TYR A 124 19.852 22.771 -7.369 1.00 73.31 C ATOM 434 OH TYR A 124 20.970 22.890 -6.575 1.00 44.54 O ATOM 0 H TYR A 124 15.642 21.293 -7.152 1.00 55.32 H new ATOM 0 HA TYR A 124 14.281 21.893 -9.649 1.00 62.20 H new ATOM 0 HB2 TYR A 124 16.637 21.905 -10.773 1.00 51.32 H new ATOM 0 HB3 TYR A 124 16.001 23.393 -10.100 1.00 51.32 H new ATOM 0 HD1 TYR A 124 18.261 20.526 -9.302 1.00 63.34 H new ATOM 0 HD2 TYR A 124 17.211 24.562 -8.427 1.00 71.31 H new ATOM 0 HE1 TYR A 124 20.258 20.738 -7.888 1.00 74.11 H new ATOM 0 HE2 TYR A 124 19.208 24.778 -7.017 1.00 63.34 H new ATOM 0 HH TYR A 124 21.013 22.132 -5.955 1.00 44.54 H new ATOM 444 N CYS A 125 15.109 19.634 -10.579 1.00 60.21 N ATOM 445 CA CYS A 125 15.266 18.221 -10.904 1.00 15.40 C ATOM 446 C CYS A 125 16.728 17.887 -11.185 1.00 74.52 C ATOM 447 O CYS A 125 17.215 18.076 -12.301 1.00 22.34 O ATOM 448 CB CYS A 125 14.405 17.857 -12.116 1.00 3.03 C ATOM 449 SG CYS A 125 12.853 17.003 -11.694 1.00 52.14 S ATOM 0 H CYS A 125 14.730 20.201 -11.337 1.00 60.21 H new ATOM 0 HA CYS A 125 14.937 17.637 -10.045 1.00 15.40 H new ATOM 0 HB2 CYS A 125 14.168 18.767 -12.667 1.00 3.03 H new ATOM 0 HB3 CYS A 125 14.987 17.222 -12.784 1.00 3.03 H new ATOM 454 N ARG A 126 17.422 17.389 -10.168 1.00 33.33 N ATOM 455 CA ARG A 126 18.827 17.028 -10.305 1.00 10.12 C ATOM 456 C ARG A 126 18.994 15.513 -10.391 1.00 25.02 C ATOM 457 O ARG A 126 18.423 14.768 -9.594 1.00 4.40 O ATOM 458 CB ARG A 126 19.634 17.574 -9.125 1.00 74.21 C ATOM 459 CG ARG A 126 21.089 17.857 -9.461 1.00 30.05 C ATOM 460 CD ARG A 126 21.844 18.391 -8.254 1.00 22.14 C ATOM 461 NE ARG A 126 22.976 19.229 -8.644 1.00 34.42 N ATOM 462 CZ ARG A 126 24.150 18.743 -9.033 1.00 42.33 C ATOM 463 NH1 ARG A 126 24.344 17.433 -9.085 1.00 64.22 N ATOM 464 NH2 ARG A 126 25.131 19.570 -9.373 1.00 75.13 N ATOM 0 H ARG A 126 17.034 17.226 -9.239 1.00 33.33 H new ATOM 0 HA ARG A 126 19.201 17.471 -11.228 1.00 10.12 H new ATOM 0 HB2 ARG A 126 19.167 18.493 -8.770 1.00 74.21 H new ATOM 0 HB3 ARG A 126 19.592 16.858 -8.305 1.00 74.21 H new ATOM 0 HG2 ARG A 126 21.566 16.943 -9.816 1.00 30.05 H new ATOM 0 HG3 ARG A 126 21.142 18.581 -10.274 1.00 30.05 H new ATOM 0 HD2 ARG A 126 21.164 18.968 -7.627 1.00 22.14 H new ATOM 0 HD3 ARG A 126 22.201 17.556 -7.651 1.00 22.14 H new ATOM 0 HE ARG A 126 22.859 20.242 -8.616 1.00 34.42 H new ATOM 0 HH11 ARG A 126 23.591 16.795 -8.826 1.00 64.22 H new ATOM 0 HH12 ARG A 126 25.246 17.063 -9.384 1.00 64.22 H new ATOM 0 HH21 ARG A 126 24.984 20.579 -9.336 1.00 75.13 H new ATOM 0 HH22 ARG A 126 26.032 19.197 -9.672 1.00 75.13 H new ATOM 478 N VAL A 127 19.780 15.065 -11.364 1.00 62.52 N ATOM 479 CA VAL A 127 20.024 13.639 -11.554 1.00 73.13 C ATOM 480 C VAL A 127 21.170 13.154 -10.674 1.00 40.44 C ATOM 481 O VAL A 127 22.341 13.283 -11.034 1.00 11.41 O ATOM 482 CB VAL A 127 20.348 13.317 -13.025 1.00 24.42 C ATOM 483 CG1 VAL A 127 19.095 13.411 -13.882 1.00 20.21 C ATOM 484 CG2 VAL A 127 21.432 14.248 -13.547 1.00 34.23 C ATOM 0 H VAL A 127 20.259 15.668 -12.033 1.00 62.52 H new ATOM 0 HA VAL A 127 19.108 13.121 -11.269 1.00 73.13 H new ATOM 0 HB VAL A 127 20.721 12.294 -13.081 1.00 24.42 H new ATOM 0 HG11 VAL A 127 19.344 13.180 -14.918 1.00 20.21 H new ATOM 0 HG12 VAL A 127 18.353 12.700 -13.520 1.00 20.21 H new ATOM 0 HG13 VAL A 127 18.689 14.421 -13.823 1.00 20.21 H new ATOM 0 HG21 VAL A 127 21.649 14.007 -14.588 1.00 34.23 H new ATOM 0 HG22 VAL A 127 21.089 15.280 -13.478 1.00 34.23 H new ATOM 0 HG23 VAL A 127 22.336 14.125 -12.950 1.00 34.23 H new ATOM 494 N LEU A 128 20.827 12.597 -9.518 1.00 53.32 N ATOM 495 CA LEU A 128 21.827 12.091 -8.585 1.00 41.41 C ATOM 496 C LEU A 128 22.083 10.605 -8.813 1.00 41.21 C ATOM 497 O LEU A 128 22.520 9.895 -7.908 1.00 21.22 O ATOM 498 CB LEU A 128 21.373 12.327 -7.143 1.00 2.11 C ATOM 499 CG LEU A 128 21.362 13.782 -6.673 1.00 14.35 C ATOM 500 CD1 LEU A 128 22.701 14.446 -6.956 1.00 33.13 C ATOM 501 CD2 LEU A 128 20.231 14.550 -7.342 1.00 12.55 C ATOM 0 H LEU A 128 19.863 12.484 -9.204 1.00 53.32 H new ATOM 0 HA LEU A 128 22.757 12.631 -8.760 1.00 41.41 H new ATOM 0 HB2 LEU A 128 20.368 11.922 -7.029 1.00 2.11 H new ATOM 0 HB3 LEU A 128 22.024 11.757 -6.480 1.00 2.11 H new ATOM 0 HG LEU A 128 21.195 13.794 -5.596 1.00 14.35 H new ATOM 0 HD11 LEU A 128 22.673 15.481 -6.614 1.00 33.13 H new ATOM 0 HD12 LEU A 128 23.491 13.911 -6.429 1.00 33.13 H new ATOM 0 HD13 LEU A 128 22.899 14.423 -8.028 1.00 33.13 H new ATOM 0 HD21 LEU A 128 20.238 15.584 -6.996 1.00 12.55 H new ATOM 0 HD22 LEU A 128 20.366 14.529 -8.423 1.00 12.55 H new ATOM 0 HD23 LEU A 128 19.277 14.089 -7.087 1.00 12.55 H new ATOM 513 N SER A 129 21.810 10.143 -10.029 1.00 33.32 N ATOM 514 CA SER A 129 22.009 8.741 -10.376 1.00 63.40 C ATOM 515 C SER A 129 23.331 8.546 -11.113 1.00 3.50 C ATOM 516 O SER A 129 24.012 7.536 -10.935 1.00 20.03 O ATOM 517 CB SER A 129 20.851 8.238 -11.240 1.00 63.44 C ATOM 518 OG SER A 129 19.624 8.301 -10.535 1.00 13.11 O ATOM 0 H SER A 129 21.450 10.719 -10.790 1.00 33.32 H new ATOM 0 HA SER A 129 22.040 8.164 -9.452 1.00 63.40 H new ATOM 0 HB2 SER A 129 20.784 8.837 -12.148 1.00 63.44 H new ATOM 0 HB3 SER A 129 21.044 7.211 -11.550 1.00 63.44 H new ATOM 0 HG SER A 129 18.974 8.817 -11.056 1.00 13.11 H new ATOM 524 N LEU A 130 23.687 9.521 -11.943 1.00 70.33 N ATOM 525 CA LEU A 130 24.927 9.458 -12.709 1.00 2.10 C ATOM 526 C LEU A 130 24.957 8.219 -13.598 1.00 15.01 C ATOM 527 O LEU A 130 26.024 7.759 -14.002 1.00 15.10 O ATOM 528 CB LEU A 130 26.132 9.453 -11.767 1.00 10.54 C ATOM 529 CG LEU A 130 26.045 10.390 -10.561 1.00 40.51 C ATOM 530 CD1 LEU A 130 25.744 9.604 -9.295 1.00 21.22 C ATOM 531 CD2 LEU A 130 27.336 11.181 -10.406 1.00 31.13 C ATOM 0 H LEU A 130 23.135 10.364 -12.102 1.00 70.33 H new ATOM 0 HA LEU A 130 24.976 10.341 -13.347 1.00 2.10 H new ATOM 0 HB2 LEU A 130 26.279 8.436 -11.402 1.00 10.54 H new ATOM 0 HB3 LEU A 130 27.019 9.716 -12.343 1.00 10.54 H new ATOM 0 HG LEU A 130 25.230 11.093 -10.730 1.00 40.51 H new ATOM 0 HD11 LEU A 130 25.686 10.287 -8.448 1.00 21.22 H new ATOM 0 HD12 LEU A 130 24.793 9.084 -9.407 1.00 21.22 H new ATOM 0 HD13 LEU A 130 26.537 8.877 -9.121 1.00 21.22 H new ATOM 0 HD21 LEU A 130 27.256 11.842 -9.543 1.00 31.13 H new ATOM 0 HD22 LEU A 130 28.169 10.493 -10.260 1.00 31.13 H new ATOM 0 HD23 LEU A 130 27.509 11.775 -11.304 1.00 31.13 H new ATOM 543 N ASN A 131 23.778 7.685 -13.898 1.00 54.15 N ATOM 544 CA ASN A 131 23.669 6.500 -14.741 1.00 74.32 C ATOM 545 C ASN A 131 22.801 6.780 -15.965 1.00 25.23 C ATOM 546 O ASN A 131 23.034 6.232 -17.043 1.00 52.21 O ATOM 547 CB ASN A 131 23.082 5.333 -13.944 1.00 14.24 C ATOM 548 CG ASN A 131 22.925 4.080 -14.782 1.00 74.11 C ATOM 549 OD1 ASN A 131 23.911 3.475 -15.204 1.00 71.00 O ATOM 550 ND2 ASN A 131 21.681 3.683 -15.027 1.00 3.45 N ATOM 0 H ASN A 131 22.885 8.054 -13.570 1.00 54.15 H new ATOM 0 HA ASN A 131 24.670 6.234 -15.080 1.00 74.32 H new ATOM 0 HB2 ASN A 131 23.727 5.118 -13.092 1.00 14.24 H new ATOM 0 HB3 ASN A 131 22.111 5.623 -13.543 1.00 14.24 H new ATOM 0 HD21 ASN A 131 21.513 2.846 -15.585 1.00 3.45 H new ATOM 0 HD22 ASN A 131 20.894 4.215 -14.657 1.00 3.45 H new ATOM 557 N CYS A 132 21.801 7.637 -15.791 1.00 33.44 N ATOM 558 CA CYS A 132 20.899 7.992 -16.879 1.00 73.34 C ATOM 559 C CYS A 132 21.332 9.295 -17.542 1.00 40.32 C ATOM 560 O CYS A 132 20.528 10.211 -17.717 1.00 12.33 O ATOM 561 CB CYS A 132 19.466 8.122 -16.359 1.00 73.24 C ATOM 562 SG CYS A 132 18.930 6.741 -15.299 1.00 25.50 S ATOM 0 H CYS A 132 21.595 8.099 -14.905 1.00 33.44 H new ATOM 0 HA CYS A 132 20.937 7.197 -17.624 1.00 73.34 H new ATOM 0 HB2 CYS A 132 19.378 9.052 -15.797 1.00 73.24 H new ATOM 0 HB3 CYS A 132 18.788 8.197 -17.209 1.00 73.24 H new