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 -36:sc= 0.0773! USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 153:sc= -0.309 (180deg=-0.698) 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 -114:sc= 0.936 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.402 20.718 -20.206 1.00 53.23 N ATOM 2 CA CYS A 93 8.689 20.358 -18.824 1.00 13.20 C ATOM 3 C CYS A 93 10.096 20.795 -18.429 1.00 41.12 C ATOM 4 O CYS A 93 10.871 21.259 -19.265 1.00 4.41 O ATOM 5 CB CYS A 93 8.537 18.849 -18.625 1.00 32.40 C ATOM 6 SG CYS A 93 9.348 17.844 -19.911 1.00 54.54 S ATOM 0 HA CYS A 93 7.974 20.875 -18.185 1.00 13.20 H new ATOM 0 HB2 CYS A 93 8.950 18.578 -17.653 1.00 32.40 H new ATOM 0 HB3 CYS A 93 7.476 18.602 -18.601 1.00 32.40 H new ATOM 11 N VAL A 94 10.420 20.643 -17.148 1.00 64.23 N ATOM 12 CA VAL A 94 11.735 21.020 -16.642 1.00 31.53 C ATOM 13 C VAL A 94 12.793 20.001 -17.049 1.00 54.15 C ATOM 14 O VAL A 94 12.728 18.835 -16.662 1.00 62.45 O ATOM 15 CB VAL A 94 11.728 21.152 -15.107 1.00 33.40 C ATOM 16 CG1 VAL A 94 13.095 20.806 -14.536 1.00 73.11 C ATOM 17 CG2 VAL A 94 11.308 22.555 -14.695 1.00 62.14 C ATOM 0 H VAL A 94 9.790 20.262 -16.442 1.00 64.23 H new ATOM 0 HA VAL A 94 11.979 21.987 -17.082 1.00 31.53 H new ATOM 0 HB VAL A 94 11.002 20.447 -14.702 1.00 33.40 H new ATOM 0 HG11 VAL A 94 13.072 20.905 -13.451 1.00 73.11 H new ATOM 0 HG12 VAL A 94 13.351 19.780 -14.802 1.00 73.11 H new ATOM 0 HG13 VAL A 94 13.843 21.485 -14.946 1.00 73.11 H new ATOM 0 HG21 VAL A 94 11.309 22.630 -13.608 1.00 62.14 H new ATOM 0 HG22 VAL A 94 12.008 23.281 -15.109 1.00 62.14 H new ATOM 0 HG23 VAL A 94 10.306 22.760 -15.072 1.00 62.14 H new ATOM 27 N ALA A 95 13.769 20.450 -17.832 1.00 31.00 N ATOM 28 CA ALA A 95 14.844 19.578 -18.290 1.00 12.54 C ATOM 29 C ALA A 95 15.625 19.006 -17.112 1.00 32.11 C ATOM 30 O ALA A 95 15.544 17.812 -16.822 1.00 74.22 O ATOM 31 CB ALA A 95 15.774 20.335 -19.225 1.00 43.43 C ATOM 0 H ALA A 95 13.837 21.413 -18.162 1.00 31.00 H new ATOM 0 HA ALA A 95 14.398 18.746 -18.835 1.00 12.54 H new ATOM 0 HB1 ALA A 95 16.572 19.672 -19.559 1.00 43.43 H new ATOM 0 HB2 ALA A 95 15.212 20.690 -20.088 1.00 43.43 H new ATOM 0 HB3 ALA A 95 16.206 21.186 -18.698 1.00 43.43 H new ATOM 37 N THR A 96 16.383 19.864 -16.436 1.00 52.03 N ATOM 38 CA THR A 96 17.180 19.442 -15.292 1.00 3.42 C ATOM 39 C THR A 96 17.607 20.639 -14.450 1.00 32.44 C ATOM 40 O THR A 96 17.809 21.736 -14.970 1.00 60.21 O ATOM 41 CB THR A 96 18.435 18.668 -15.736 1.00 1.22 C ATOM 42 OG1 THR A 96 18.108 17.783 -16.813 1.00 23.44 O ATOM 43 CG2 THR A 96 19.018 17.872 -14.578 1.00 12.42 C ATOM 0 H THR A 96 16.461 20.856 -16.662 1.00 52.03 H new ATOM 0 HA THR A 96 16.550 18.784 -14.693 1.00 3.42 H new ATOM 0 HB THR A 96 19.180 19.389 -16.072 1.00 1.22 H new ATOM 0 HG1 THR A 96 17.208 17.420 -16.676 1.00 23.44 H new ATOM 0 HG21 THR A 96 19.904 17.334 -14.916 1.00 12.42 H new ATOM 0 HG22 THR A 96 19.292 18.551 -13.771 1.00 12.42 H new ATOM 0 HG23 THR A 96 18.276 17.160 -14.216 1.00 12.42 H new ATOM 51 N ARG A 97 17.744 20.420 -13.145 1.00 34.11 N ATOM 52 CA ARG A 97 18.146 21.481 -12.230 1.00 50.34 C ATOM 53 C ARG A 97 17.513 22.811 -12.628 1.00 14.43 C ATOM 54 O ARG A 97 18.168 23.853 -12.611 1.00 21.54 O ATOM 55 CB ARG A 97 19.670 21.615 -12.211 1.00 52.30 C ATOM 56 CG ARG A 97 20.253 22.124 -13.519 1.00 63.04 C ATOM 57 CD ARG A 97 20.660 20.977 -14.431 1.00 31.52 C ATOM 58 NE ARG A 97 22.064 21.060 -14.822 1.00 24.01 N ATOM 59 CZ ARG A 97 22.689 20.122 -15.526 1.00 31.34 C ATOM 60 NH1 ARG A 97 22.036 19.035 -15.913 1.00 32.21 N ATOM 61 NH2 ARG A 97 23.969 20.270 -15.843 1.00 50.30 N ATOM 0 H ARG A 97 17.582 19.517 -12.699 1.00 34.11 H new ATOM 0 HA ARG A 97 17.798 21.217 -11.231 1.00 50.34 H new ATOM 0 HB2 ARG A 97 19.957 22.293 -11.407 1.00 52.30 H new ATOM 0 HB3 ARG A 97 20.109 20.644 -11.981 1.00 52.30 H new ATOM 0 HG2 ARG A 97 19.519 22.751 -14.026 1.00 63.04 H new ATOM 0 HG3 ARG A 97 21.120 22.751 -13.312 1.00 63.04 H new ATOM 0 HD2 ARG A 97 20.481 20.029 -13.923 1.00 31.52 H new ATOM 0 HD3 ARG A 97 20.034 20.984 -15.323 1.00 31.52 H new ATOM 0 HE ARG A 97 22.595 21.884 -14.539 1.00 24.01 H new ATOM 0 HH11 ARG A 97 21.052 18.918 -15.670 1.00 32.21 H new ATOM 0 HH12 ARG A 97 22.517 18.316 -16.453 1.00 32.21 H new ATOM 0 HH21 ARG A 97 24.475 21.105 -15.546 1.00 50.30 H new ATOM 0 HH22 ARG A 97 24.447 19.549 -16.383 1.00 50.30 H new ATOM 75 N ASN A 98 16.233 22.767 -12.986 1.00 45.54 N ATOM 76 CA ASN A 98 15.512 23.969 -13.390 1.00 14.32 C ATOM 77 C ASN A 98 14.563 24.430 -12.287 1.00 34.21 C ATOM 78 O ASN A 98 14.768 25.478 -11.675 1.00 75.42 O ATOM 79 CB ASN A 98 14.727 23.711 -14.678 1.00 21.45 C ATOM 80 CG ASN A 98 14.472 24.982 -15.464 1.00 33.52 C ATOM 81 OD1 ASN A 98 14.487 26.081 -14.911 1.00 21.14 O ATOM 82 ND2 ASN A 98 14.234 24.835 -16.763 1.00 45.34 N ATOM 0 H ASN A 98 15.675 21.913 -13.004 1.00 45.54 H new ATOM 0 HA ASN A 98 16.243 24.757 -13.570 1.00 14.32 H new ATOM 0 HB2 ASN A 98 15.278 23.006 -15.301 1.00 21.45 H new ATOM 0 HB3 ASN A 98 13.774 23.242 -14.432 1.00 21.45 H new ATOM 0 HD21 ASN A 98 14.054 25.654 -17.344 1.00 45.34 H new ATOM 0 HD22 ASN A 98 14.231 23.904 -17.179 1.00 45.34 H new ATOM 89 N SER A 99 13.524 23.638 -12.039 1.00 70.10 N ATOM 90 CA SER A 99 12.542 23.965 -11.013 1.00 14.51 C ATOM 91 C SER A 99 11.899 22.700 -10.453 1.00 73.03 C ATOM 92 O SER A 99 11.684 21.726 -11.176 1.00 64.23 O ATOM 93 CB SER A 99 11.464 24.889 -11.584 1.00 25.20 C ATOM 94 OG SER A 99 10.256 24.775 -10.852 1.00 73.13 O ATOM 0 H SER A 99 13.341 22.766 -12.535 1.00 70.10 H new ATOM 0 HA SER A 99 13.058 24.479 -10.202 1.00 14.51 H new ATOM 0 HB2 SER A 99 11.813 25.921 -11.557 1.00 25.20 H new ATOM 0 HB3 SER A 99 11.284 24.641 -12.630 1.00 25.20 H new ATOM 0 HG SER A 99 9.583 25.376 -11.235 1.00 73.13 H new ATOM 100 N CYS A 100 11.593 22.721 -9.160 1.00 30.50 N ATOM 101 CA CYS A 100 10.975 21.576 -8.501 1.00 51.44 C ATOM 102 C CYS A 100 9.464 21.759 -8.397 1.00 42.14 C ATOM 103 O CYS A 100 8.892 22.656 -9.018 1.00 74.45 O ATOM 104 CB CYS A 100 11.573 21.381 -7.106 1.00 22.12 C ATOM 105 SG CYS A 100 12.692 19.951 -6.971 1.00 22.53 S ATOM 0 H CYS A 100 11.763 23.519 -8.547 1.00 30.50 H new ATOM 0 HA CYS A 100 11.176 20.690 -9.103 1.00 51.44 H new ATOM 0 HB2 CYS A 100 12.118 22.283 -6.826 1.00 22.12 H new ATOM 0 HB3 CYS A 100 10.762 21.263 -6.388 1.00 22.12 H new ATOM 110 N LYS A 101 8.822 20.905 -7.608 1.00 23.52 N ATOM 111 CA LYS A 101 7.378 20.971 -7.421 1.00 22.34 C ATOM 112 C LYS A 101 6.647 20.730 -8.737 1.00 52.44 C ATOM 113 O LYS A 101 6.182 21.661 -9.396 1.00 22.22 O ATOM 114 CB LYS A 101 6.980 22.331 -6.845 1.00 41.34 C ATOM 115 CG LYS A 101 7.043 22.393 -5.328 1.00 65.15 C ATOM 116 CD LYS A 101 8.457 22.667 -4.841 1.00 14.32 C ATOM 117 CE LYS A 101 8.871 21.689 -3.753 1.00 21.05 C ATOM 118 NZ LYS A 101 8.801 20.276 -4.221 1.00 54.43 N ATOM 0 H LYS A 101 9.280 20.157 -7.087 1.00 23.52 H new ATOM 0 HA LYS A 101 7.091 20.188 -6.719 1.00 22.34 H new ATOM 0 HB2 LYS A 101 7.636 23.097 -7.259 1.00 41.34 H new ATOM 0 HB3 LYS A 101 5.967 22.570 -7.168 1.00 41.34 H new ATOM 0 HG2 LYS A 101 6.374 23.174 -4.966 1.00 65.15 H new ATOM 0 HG3 LYS A 101 6.689 21.451 -4.909 1.00 65.15 H new ATOM 0 HD2 LYS A 101 9.151 22.597 -5.678 1.00 14.32 H new ATOM 0 HD3 LYS A 101 8.520 23.686 -4.459 1.00 14.32 H new ATOM 0 HE2 LYS A 101 9.887 21.914 -3.429 1.00 21.05 H new ATOM 0 HE3 LYS A 101 8.224 21.816 -2.885 1.00 21.05 H new ATOM 0 HZ1 LYS A 101 9.480 19.699 -3.685 1.00 54.43 H new ATOM 0 HZ2 LYS A 101 7.840 19.908 -4.072 1.00 54.43 H new ATOM 0 HZ3 LYS A 101 9.035 20.234 -5.234 1.00 54.43 H new ATOM 132 N PRO A 102 6.541 19.452 -9.131 1.00 55.50 N ATOM 133 CA PRO A 102 5.865 19.061 -10.371 1.00 73.53 C ATOM 134 C PRO A 102 4.356 19.266 -10.300 1.00 12.14 C ATOM 135 O PRO A 102 3.589 18.305 -10.271 1.00 61.31 O ATOM 136 CB PRO A 102 6.196 17.571 -10.501 1.00 13.21 C ATOM 137 CG PRO A 102 6.453 17.119 -9.105 1.00 73.50 C ATOM 138 CD PRO A 102 7.071 18.292 -8.396 1.00 41.31 C ATOM 0 HA PRO A 102 6.193 19.661 -11.220 1.00 73.53 H new ATOM 0 HB2 PRO A 102 5.370 17.019 -10.950 1.00 13.21 H new ATOM 0 HB3 PRO A 102 7.068 17.413 -11.136 1.00 13.21 H new ATOM 0 HG2 PRO A 102 5.528 16.812 -8.618 1.00 73.50 H new ATOM 0 HG3 PRO A 102 7.121 16.258 -9.091 1.00 73.50 H new ATOM 0 HD2 PRO A 102 6.789 18.320 -7.344 1.00 41.31 H new ATOM 0 HD3 PRO A 102 8.160 18.256 -8.433 1.00 41.31 H new ATOM 146 N ALA A 103 3.936 20.527 -10.271 1.00 14.25 N ATOM 147 CA ALA A 103 2.518 20.859 -10.205 1.00 35.23 C ATOM 148 C ALA A 103 2.002 21.337 -11.558 1.00 74.34 C ATOM 149 O ALA A 103 0.919 20.946 -11.994 1.00 2.45 O ATOM 150 CB ALA A 103 2.273 21.918 -9.140 1.00 53.24 C ATOM 0 H ALA A 103 4.558 21.335 -10.292 1.00 14.25 H new ATOM 0 HA ALA A 103 1.971 19.955 -9.936 1.00 35.23 H new ATOM 0 HB1 ALA A 103 1.210 22.156 -9.102 1.00 53.24 H new ATOM 0 HB2 ALA A 103 2.595 21.540 -8.170 1.00 53.24 H new ATOM 0 HB3 ALA A 103 2.838 22.818 -9.385 1.00 53.24 H new ATOM 156 N ALA A 104 2.785 22.183 -12.218 1.00 53.25 N ATOM 157 CA ALA A 104 2.407 22.713 -13.523 1.00 72.25 C ATOM 158 C ALA A 104 2.879 21.795 -14.646 1.00 14.42 C ATOM 159 O ALA A 104 2.736 22.118 -15.825 1.00 70.35 O ATOM 160 CB ALA A 104 2.975 24.113 -13.710 1.00 31.43 C ATOM 0 H ALA A 104 3.685 22.516 -11.871 1.00 53.25 H new ATOM 0 HA ALA A 104 1.319 22.766 -13.564 1.00 72.25 H new ATOM 0 HB1 ALA A 104 2.685 24.496 -14.688 1.00 31.43 H new ATOM 0 HB2 ALA A 104 2.585 24.771 -12.933 1.00 31.43 H new ATOM 0 HB3 ALA A 104 4.062 24.076 -13.643 1.00 31.43 H new ATOM 166 N ALA A 105 3.441 20.651 -14.271 1.00 54.14 N ATOM 167 CA ALA A 105 3.932 19.686 -15.247 1.00 64.04 C ATOM 168 C ALA A 105 5.302 20.092 -15.780 1.00 3.31 C ATOM 169 O ALA A 105 5.498 20.211 -16.988 1.00 41.54 O ATOM 170 CB ALA A 105 2.940 19.541 -16.392 1.00 44.22 C ATOM 0 H ALA A 105 3.568 20.370 -13.299 1.00 54.14 H new ATOM 0 HA ALA A 105 4.036 18.723 -14.747 1.00 64.04 H new ATOM 0 HB1 ALA A 105 3.320 18.817 -17.113 1.00 44.22 H new ATOM 0 HB2 ALA A 105 1.982 19.196 -16.002 1.00 44.22 H new ATOM 0 HB3 ALA A 105 2.806 20.505 -16.882 1.00 44.22 H new ATOM 176 N ALA A 106 6.247 20.305 -14.870 1.00 21.33 N ATOM 177 CA ALA A 106 7.598 20.697 -15.248 1.00 70.14 C ATOM 178 C ALA A 106 8.637 20.003 -14.374 1.00 23.05 C ATOM 179 O ALA A 106 9.062 20.540 -13.351 1.00 30.13 O ATOM 180 CB ALA A 106 7.754 22.208 -15.157 1.00 50.01 C ATOM 0 H ALA A 106 6.101 20.212 -13.865 1.00 21.33 H new ATOM 0 HA ALA A 106 7.764 20.386 -16.280 1.00 70.14 H new ATOM 0 HB1 ALA A 106 8.768 22.487 -15.442 1.00 50.01 H new ATOM 0 HB2 ALA A 106 7.043 22.688 -15.829 1.00 50.01 H new ATOM 0 HB3 ALA A 106 7.562 22.533 -14.134 1.00 50.01 H new ATOM 186 N CYS A 107 9.042 18.804 -14.783 1.00 50.51 N ATOM 187 CA CYS A 107 10.030 18.035 -14.036 1.00 43.10 C ATOM 188 C CYS A 107 10.285 16.686 -14.703 1.00 3.24 C ATOM 189 O CYS A 107 10.319 15.650 -14.037 1.00 45.31 O ATOM 190 CB CYS A 107 9.562 17.825 -12.596 1.00 15.33 C ATOM 191 SG CYS A 107 10.844 18.145 -11.341 1.00 54.13 S ATOM 0 H CYS A 107 8.701 18.345 -15.627 1.00 50.51 H new ATOM 0 HA CYS A 107 10.963 18.599 -14.028 1.00 43.10 H new ATOM 0 HB2 CYS A 107 8.710 18.477 -12.404 1.00 15.33 H new ATOM 0 HB3 CYS A 107 9.209 16.799 -12.486 1.00 15.33 H new ATOM 196 N CYS A 108 10.463 16.707 -16.019 1.00 34.22 N ATOM 197 CA CYS A 108 10.714 15.486 -16.776 1.00 1.23 C ATOM 198 C CYS A 108 11.937 14.752 -16.233 1.00 53.35 C ATOM 199 O CYS A 108 12.528 15.163 -15.235 1.00 42.21 O ATOM 200 CB CYS A 108 10.917 15.813 -18.256 1.00 73.44 C ATOM 201 SG CYS A 108 9.373 15.881 -19.222 1.00 3.23 S ATOM 0 H CYS A 108 10.438 17.556 -16.584 1.00 34.22 H new ATOM 0 HA CYS A 108 9.845 14.836 -16.670 1.00 1.23 H new ATOM 0 HB2 CYS A 108 11.427 16.773 -18.338 1.00 73.44 H new ATOM 0 HB3 CYS A 108 11.575 15.064 -18.696 1.00 73.44 H new ATOM 206 N ASP A 109 12.310 13.664 -16.899 1.00 44.30 N ATOM 207 CA ASP A 109 13.463 12.873 -16.486 1.00 24.44 C ATOM 208 C ASP A 109 13.201 12.189 -15.147 1.00 3.33 C ATOM 209 O ASP A 109 13.564 12.693 -14.083 1.00 60.02 O ATOM 210 CB ASP A 109 14.706 13.757 -16.386 1.00 4.15 C ATOM 211 CG ASP A 109 14.865 14.670 -17.585 1.00 44.34 C ATOM 212 OD1 ASP A 109 14.150 15.692 -17.651 1.00 42.54 O ATOM 213 OD2 ASP A 109 15.704 14.364 -18.459 1.00 31.21 O ATOM 0 H ASP A 109 11.830 13.310 -17.727 1.00 44.30 H new ATOM 0 HA ASP A 109 13.634 12.104 -17.240 1.00 24.44 H new ATOM 0 HB2 ASP A 109 14.648 14.359 -15.479 1.00 4.15 H new ATOM 0 HB3 ASP A 109 15.590 13.126 -16.293 1.00 4.15 H new ATOM 218 N PRO A 110 12.555 11.016 -15.197 1.00 74.23 N ATOM 219 CA PRO A 110 12.229 10.238 -13.998 1.00 40.30 C ATOM 220 C PRO A 110 13.468 9.639 -13.342 1.00 11.35 C ATOM 221 O PRO A 110 13.390 9.056 -12.260 1.00 34.11 O ATOM 222 CB PRO A 110 11.316 9.131 -14.531 1.00 22.15 C ATOM 223 CG PRO A 110 11.695 8.983 -15.964 1.00 2.05 C ATOM 224 CD PRO A 110 12.092 10.357 -16.431 1.00 34.22 C ATOM 0 HA PRO A 110 11.768 10.853 -13.225 1.00 40.30 H new ATOM 0 HB2 PRO A 110 11.463 8.199 -13.985 1.00 22.15 H new ATOM 0 HB3 PRO A 110 10.265 9.400 -14.425 1.00 22.15 H new ATOM 0 HG2 PRO A 110 12.519 8.278 -16.079 1.00 2.05 H new ATOM 0 HG3 PRO A 110 10.861 8.597 -16.550 1.00 2.05 H new ATOM 0 HD2 PRO A 110 12.880 10.314 -17.183 1.00 34.22 H new ATOM 0 HD3 PRO A 110 11.252 10.888 -16.879 1.00 34.22 H new ATOM 232 N CYS A 111 14.611 9.785 -14.003 1.00 53.01 N ATOM 233 CA CYS A 111 15.868 9.258 -13.484 1.00 52.14 C ATOM 234 C CYS A 111 16.492 10.226 -12.483 1.00 41.23 C ATOM 235 O CYS A 111 17.452 9.888 -11.792 1.00 55.12 O ATOM 236 CB CYS A 111 16.845 8.992 -14.631 1.00 24.24 C ATOM 237 SG CYS A 111 17.160 7.226 -14.943 1.00 61.54 S ATOM 0 H CYS A 111 14.693 10.264 -14.900 1.00 53.01 H new ATOM 0 HA CYS A 111 15.656 8.320 -12.971 1.00 52.14 H new ATOM 0 HB2 CYS A 111 16.453 9.447 -15.541 1.00 24.24 H new ATOM 0 HB3 CYS A 111 17.791 9.486 -14.410 1.00 24.24 H new ATOM 242 N ALA A 112 15.939 11.433 -12.412 1.00 32.23 N ATOM 243 CA ALA A 112 16.439 12.449 -11.496 1.00 11.43 C ATOM 244 C ALA A 112 15.600 12.503 -10.223 1.00 31.53 C ATOM 245 O ALA A 112 14.749 11.642 -9.993 1.00 41.54 O ATOM 246 CB ALA A 112 16.456 13.811 -12.174 1.00 72.14 C ATOM 0 H ALA A 112 15.144 11.730 -12.978 1.00 32.23 H new ATOM 0 HA ALA A 112 17.458 12.180 -11.219 1.00 11.43 H new ATOM 0 HB1 ALA A 112 16.832 14.560 -11.477 1.00 72.14 H new ATOM 0 HB2 ALA A 112 17.103 13.773 -13.050 1.00 72.14 H new ATOM 0 HB3 ALA A 112 15.445 14.077 -12.481 1.00 72.14 H new ATOM 252 N SER A 113 15.846 13.515 -9.398 1.00 61.04 N ATOM 253 CA SER A 113 15.116 13.677 -8.147 1.00 40.31 C ATOM 254 C SER A 113 15.094 15.141 -7.716 1.00 21.31 C ATOM 255 O SER A 113 15.958 15.927 -8.104 1.00 24.11 O ATOM 256 CB SER A 113 15.747 12.819 -7.049 1.00 45.12 C ATOM 257 OG SER A 113 14.923 12.777 -5.898 1.00 34.45 O ATOM 0 H SER A 113 16.546 14.236 -9.574 1.00 61.04 H new ATOM 0 HA SER A 113 14.089 13.349 -8.309 1.00 40.31 H new ATOM 0 HB2 SER A 113 15.909 11.807 -7.421 1.00 45.12 H new ATOM 0 HB3 SER A 113 16.725 13.222 -6.785 1.00 45.12 H new ATOM 0 HG SER A 113 15.348 12.221 -5.212 1.00 34.45 H new ATOM 263 N CYS A 114 14.100 15.498 -6.910 1.00 54.31 N ATOM 264 CA CYS A 114 13.963 16.867 -6.425 1.00 31.34 C ATOM 265 C CYS A 114 15.046 17.191 -5.400 1.00 64.12 C ATOM 266 O CYS A 114 14.978 16.756 -4.250 1.00 51.12 O ATOM 267 CB CYS A 114 12.579 17.074 -5.804 1.00 65.24 C ATOM 268 SG CYS A 114 12.185 18.813 -5.433 1.00 70.10 S ATOM 0 H CYS A 114 13.377 14.859 -6.579 1.00 54.31 H new ATOM 0 HA CYS A 114 14.077 17.541 -7.274 1.00 31.34 H new ATOM 0 HB2 CYS A 114 11.824 16.678 -6.484 1.00 65.24 H new ATOM 0 HB3 CYS A 114 12.515 16.493 -4.884 1.00 65.24 H new ATOM 273 N TYR A 115 16.044 17.958 -5.825 1.00 63.24 N ATOM 274 CA TYR A 115 17.143 18.339 -4.946 1.00 55.35 C ATOM 275 C TYR A 115 17.046 19.813 -4.561 1.00 32.24 C ATOM 276 O TYR A 115 16.596 20.645 -5.349 1.00 1.31 O ATOM 277 CB TYR A 115 18.485 18.067 -5.626 1.00 24.31 C ATOM 278 CG TYR A 115 19.643 18.816 -5.004 1.00 22.43 C ATOM 279 CD1 TYR A 115 20.255 18.349 -3.847 1.00 23.42 C ATOM 280 CD2 TYR A 115 20.123 19.988 -5.572 1.00 3.35 C ATOM 281 CE1 TYR A 115 21.312 19.030 -3.274 1.00 61.30 C ATOM 282 CE2 TYR A 115 21.180 20.675 -5.006 1.00 72.55 C ATOM 283 CZ TYR A 115 21.771 20.192 -3.858 1.00 60.22 C ATOM 284 OH TYR A 115 22.824 20.874 -3.291 1.00 52.11 O ATOM 0 H TYR A 115 16.114 18.328 -6.773 1.00 63.24 H new ATOM 0 HA TYR A 115 17.074 17.739 -4.039 1.00 55.35 H new ATOM 0 HB2 TYR A 115 18.692 16.998 -5.587 1.00 24.31 H new ATOM 0 HB3 TYR A 115 18.411 18.339 -6.679 1.00 24.31 H new ATOM 0 HD1 TYR A 115 19.899 17.439 -3.388 1.00 23.42 H new ATOM 0 HD2 TYR A 115 19.663 20.369 -6.471 1.00 3.35 H new ATOM 0 HE1 TYR A 115 21.776 18.654 -2.374 1.00 61.30 H new ATOM 0 HE2 TYR A 115 21.541 21.586 -5.461 1.00 72.55 H new ATOM 0 HH TYR A 115 23.024 21.670 -3.826 1.00 52.11 H new ATOM 294 N CYS A 116 17.471 20.127 -3.342 1.00 61.20 N ATOM 295 CA CYS A 116 17.434 21.498 -2.848 1.00 51.44 C ATOM 296 C CYS A 116 18.822 21.959 -2.413 1.00 72.54 C ATOM 297 O CYS A 116 19.689 21.141 -2.103 1.00 1.01 O ATOM 298 CB CYS A 116 16.456 21.615 -1.678 1.00 55.02 C ATOM 299 SG CYS A 116 14.785 20.986 -2.039 1.00 52.14 S ATOM 0 H CYS A 116 17.845 19.450 -2.678 1.00 61.20 H new ATOM 0 HA CYS A 116 17.096 22.140 -3.661 1.00 51.44 H new ATOM 0 HB2 CYS A 116 16.861 21.071 -0.825 1.00 55.02 H new ATOM 0 HB3 CYS A 116 16.383 22.662 -1.383 1.00 55.02 H new ATOM 304 N ARG A 117 19.025 23.272 -2.393 1.00 51.02 N ATOM 305 CA ARG A 117 20.307 23.841 -1.997 1.00 43.12 C ATOM 306 C ARG A 117 20.169 24.650 -0.711 1.00 50.41 C ATOM 307 O ARG A 117 19.121 24.636 -0.065 1.00 51.25 O ATOM 308 CB ARG A 117 20.862 24.728 -3.113 1.00 63.33 C ATOM 309 CG ARG A 117 19.786 25.396 -3.951 1.00 41.35 C ATOM 310 CD ARG A 117 18.976 26.389 -3.130 1.00 24.43 C ATOM 311 NE ARG A 117 18.558 27.542 -3.922 1.00 53.11 N ATOM 312 CZ ARG A 117 19.395 28.473 -4.365 1.00 25.23 C ATOM 313 NH1 ARG A 117 20.690 28.386 -4.095 1.00 4.32 N ATOM 314 NH2 ARG A 117 18.938 29.493 -5.080 1.00 2.01 N ATOM 0 H ARG A 117 18.318 23.962 -2.647 1.00 51.02 H new ATOM 0 HA ARG A 117 21.000 23.019 -1.816 1.00 43.12 H new ATOM 0 HB2 ARG A 117 21.497 25.497 -2.673 1.00 63.33 H new ATOM 0 HB3 ARG A 117 21.495 24.125 -3.764 1.00 63.33 H new ATOM 0 HG2 ARG A 117 20.247 25.910 -4.794 1.00 41.35 H new ATOM 0 HG3 ARG A 117 19.122 24.637 -4.365 1.00 41.35 H new ATOM 0 HD2 ARG A 117 18.096 25.890 -2.723 1.00 24.43 H new ATOM 0 HD3 ARG A 117 19.571 26.728 -2.282 1.00 24.43 H new ATOM 0 HE ARG A 117 17.568 27.638 -4.148 1.00 53.11 H new ATOM 0 HH11 ARG A 117 21.045 27.603 -3.546 1.00 4.32 H new ATOM 0 HH12 ARG A 117 21.331 29.102 -4.436 1.00 4.32 H new ATOM 0 HH21 ARG A 117 17.942 29.563 -5.290 1.00 2.01 H new ATOM 0 HH22 ARG A 117 19.582 30.207 -5.419 1.00 2.01 H new ATOM 328 N PHE A 118 21.235 25.355 -0.344 1.00 31.24 N ATOM 329 CA PHE A 118 21.233 26.169 0.866 1.00 73.11 C ATOM 330 C PHE A 118 19.906 26.906 1.024 1.00 63.53 C ATOM 331 O PHE A 118 19.228 26.776 2.044 1.00 70.34 O ATOM 332 CB PHE A 118 22.386 27.174 0.831 1.00 25.04 C ATOM 333 CG PHE A 118 23.741 26.536 0.954 1.00 74.25 C ATOM 334 CD1 PHE A 118 24.120 25.903 2.126 1.00 32.02 C ATOM 335 CD2 PHE A 118 24.635 26.571 -0.104 1.00 33.41 C ATOM 336 CE1 PHE A 118 25.365 25.316 2.241 1.00 31.30 C ATOM 337 CE2 PHE A 118 25.883 25.984 0.005 1.00 54.42 C ATOM 338 CZ PHE A 118 26.248 25.356 1.179 1.00 33.54 C ATOM 0 H PHE A 118 22.110 25.379 -0.867 1.00 31.24 H new ATOM 0 HA PHE A 118 21.364 25.505 1.721 1.00 73.11 H new ATOM 0 HB2 PHE A 118 22.341 27.735 -0.103 1.00 25.04 H new ATOM 0 HB3 PHE A 118 22.256 27.892 1.641 1.00 25.04 H new ATOM 0 HD1 PHE A 118 23.434 25.868 2.960 1.00 32.02 H new ATOM 0 HD2 PHE A 118 24.354 27.062 -1.024 1.00 33.41 H new ATOM 0 HE1 PHE A 118 25.648 24.826 3.161 1.00 31.30 H new ATOM 0 HE2 PHE A 118 26.571 26.017 -0.827 1.00 54.42 H new ATOM 0 HZ PHE A 118 27.222 24.897 1.267 1.00 33.54 H new ATOM 348 N PHE A 119 19.542 27.681 0.008 1.00 40.34 N ATOM 349 CA PHE A 119 18.297 28.441 0.032 1.00 23.43 C ATOM 350 C PHE A 119 17.129 27.556 0.456 1.00 31.31 C ATOM 351 O PHE A 119 16.316 27.942 1.295 1.00 15.23 O ATOM 352 CB PHE A 119 18.018 29.050 -1.343 1.00 63.54 C ATOM 353 CG PHE A 119 17.414 30.423 -1.279 1.00 74.03 C ATOM 354 CD1 PHE A 119 18.076 31.457 -0.638 1.00 63.32 C ATOM 355 CD2 PHE A 119 16.183 30.680 -1.862 1.00 22.12 C ATOM 356 CE1 PHE A 119 17.522 32.721 -0.577 1.00 12.33 C ATOM 357 CE2 PHE A 119 15.623 31.942 -1.805 1.00 3.41 C ATOM 358 CZ PHE A 119 16.295 32.965 -1.162 1.00 12.12 C ATOM 0 H PHE A 119 20.092 27.800 -0.843 1.00 40.34 H new ATOM 0 HA PHE A 119 18.405 29.244 0.761 1.00 23.43 H new ATOM 0 HB2 PHE A 119 18.950 29.098 -1.906 1.00 63.54 H new ATOM 0 HB3 PHE A 119 17.346 28.392 -1.894 1.00 63.54 H new ATOM 0 HD1 PHE A 119 19.037 31.273 -0.180 1.00 63.32 H new ATOM 0 HD2 PHE A 119 15.655 29.884 -2.367 1.00 22.12 H new ATOM 0 HE1 PHE A 119 18.048 33.518 -0.072 1.00 12.33 H new ATOM 0 HE2 PHE A 119 14.662 32.129 -2.262 1.00 3.41 H new ATOM 0 HZ PHE A 119 15.861 33.953 -1.117 1.00 12.12 H new ATOM 368 N ARG A 120 17.052 26.366 -0.133 1.00 53.42 N ATOM 369 CA ARG A 120 15.982 25.426 0.181 1.00 53.41 C ATOM 370 C ARG A 120 14.624 25.994 -0.223 1.00 11.31 C ATOM 371 O ARG A 120 13.582 25.505 0.212 1.00 33.41 O ATOM 372 CB ARG A 120 15.985 25.098 1.675 1.00 52.32 C ATOM 373 CG ARG A 120 16.520 23.711 1.993 1.00 63.35 C ATOM 374 CD ARG A 120 15.409 22.673 2.003 1.00 15.42 C ATOM 375 NE ARG A 120 15.709 21.558 2.896 1.00 42.24 N ATOM 376 CZ ARG A 120 15.116 20.372 2.815 1.00 22.15 C ATOM 377 NH1 ARG A 120 14.196 20.149 1.888 1.00 60.42 N ATOM 378 NH2 ARG A 120 15.445 19.406 3.665 1.00 54.03 N ATOM 0 H ARG A 120 17.717 26.031 -0.830 1.00 53.42 H new ATOM 0 HA ARG A 120 16.158 24.511 -0.385 1.00 53.41 H new ATOM 0 HB2 ARG A 120 16.587 25.840 2.200 1.00 52.32 H new ATOM 0 HB3 ARG A 120 14.968 25.183 2.059 1.00 52.32 H new ATOM 0 HG2 ARG A 120 17.273 23.432 1.255 1.00 63.35 H new ATOM 0 HG3 ARG A 120 17.015 23.725 2.964 1.00 63.35 H new ATOM 0 HD2 ARG A 120 14.476 23.144 2.312 1.00 15.42 H new ATOM 0 HD3 ARG A 120 15.256 22.296 0.992 1.00 15.42 H new ATOM 0 HE ARG A 120 16.412 21.697 3.622 1.00 42.24 H new ATOM 0 HH11 ARG A 120 13.941 20.889 1.234 1.00 60.42 H new ATOM 0 HH12 ARG A 120 13.743 19.237 1.828 1.00 60.42 H new ATOM 0 HH21 ARG A 120 16.153 19.575 4.380 1.00 54.03 H new ATOM 0 HH22 ARG A 120 14.990 18.495 3.603 1.00 54.03 H new ATOM 392 N SER A 121 14.645 27.028 -1.058 1.00 13.15 N ATOM 393 CA SER A 121 13.416 27.665 -1.517 1.00 31.42 C ATOM 394 C SER A 121 13.313 27.612 -3.038 1.00 45.02 C ATOM 395 O SER A 121 12.261 27.895 -3.610 1.00 14.42 O ATOM 396 CB SER A 121 13.361 29.118 -1.041 1.00 51.23 C ATOM 397 OG SER A 121 13.079 29.997 -2.116 1.00 74.41 O ATOM 0 H SER A 121 15.499 27.442 -1.430 1.00 13.15 H new ATOM 0 HA SER A 121 12.573 27.120 -1.093 1.00 31.42 H new ATOM 0 HB2 SER A 121 12.596 29.223 -0.271 1.00 51.23 H new ATOM 0 HB3 SER A 121 14.312 29.391 -0.584 1.00 51.23 H new ATOM 0 HG SER A 121 13.855 30.572 -2.281 1.00 74.41 H new ATOM 403 N ALA A 122 14.414 27.247 -3.688 1.00 3.33 N ATOM 404 CA ALA A 122 14.448 27.155 -5.141 1.00 51.03 C ATOM 405 C ALA A 122 14.972 25.796 -5.594 1.00 12.53 C ATOM 406 O ALA A 122 15.964 25.712 -6.318 1.00 74.30 O ATOM 407 CB ALA A 122 15.303 28.272 -5.722 1.00 24.24 C ATOM 0 H ALA A 122 15.294 27.010 -3.230 1.00 3.33 H new ATOM 0 HA ALA A 122 13.428 27.264 -5.510 1.00 51.03 H new ATOM 0 HB1 ALA A 122 15.319 28.190 -6.809 1.00 24.24 H new ATOM 0 HB2 ALA A 122 14.884 29.237 -5.437 1.00 24.24 H new ATOM 0 HB3 ALA A 122 16.319 28.190 -5.337 1.00 24.24 H new ATOM 413 N CYS A 123 14.301 24.735 -5.160 1.00 30.05 N ATOM 414 CA CYS A 123 14.699 23.379 -5.518 1.00 73.15 C ATOM 415 C CYS A 123 14.423 23.102 -6.993 1.00 54.52 C ATOM 416 O CYS A 123 13.638 23.806 -7.631 1.00 30.11 O ATOM 417 CB CYS A 123 13.956 22.361 -4.650 1.00 32.21 C ATOM 418 SG CYS A 123 13.968 22.752 -2.871 1.00 11.03 S ATOM 0 H CYS A 123 13.478 24.788 -4.559 1.00 30.05 H new ATOM 0 HA CYS A 123 15.771 23.284 -5.343 1.00 73.15 H new ATOM 0 HB2 CYS A 123 12.922 22.295 -4.990 1.00 32.21 H new ATOM 0 HB3 CYS A 123 14.403 21.378 -4.798 1.00 32.21 H new ATOM 423 N TYR A 124 15.072 22.075 -7.529 1.00 3.45 N ATOM 424 CA TYR A 124 14.898 21.707 -8.929 1.00 43.42 C ATOM 425 C TYR A 124 15.178 20.222 -9.140 1.00 53.42 C ATOM 426 O TYR A 124 15.823 19.576 -8.314 1.00 34.14 O ATOM 427 CB TYR A 124 15.824 22.543 -9.816 1.00 34.25 C ATOM 428 CG TYR A 124 17.108 22.954 -9.133 1.00 5.10 C ATOM 429 CD1 TYR A 124 18.081 22.014 -8.815 1.00 15.15 C ATOM 430 CD2 TYR A 124 17.349 24.283 -8.805 1.00 65.31 C ATOM 431 CE1 TYR A 124 19.256 22.385 -8.190 1.00 60.41 C ATOM 432 CE2 TYR A 124 18.523 24.662 -8.181 1.00 51.24 C ATOM 433 CZ TYR A 124 19.473 23.710 -7.876 1.00 34.43 C ATOM 434 OH TYR A 124 20.641 24.085 -7.254 1.00 32.53 O ATOM 0 H TYR A 124 15.724 21.482 -7.015 1.00 3.45 H new ATOM 0 HA TYR A 124 13.863 21.906 -9.206 1.00 43.42 H new ATOM 0 HB2 TYR A 124 16.066 21.973 -10.713 1.00 34.25 H new ATOM 0 HB3 TYR A 124 15.292 23.438 -10.140 1.00 34.25 H new ATOM 0 HD1 TYR A 124 17.916 20.975 -9.061 1.00 15.15 H new ATOM 0 HD2 TYR A 124 16.607 25.032 -9.041 1.00 65.31 H new ATOM 0 HE1 TYR A 124 20.001 21.641 -7.949 1.00 60.41 H new ATOM 0 HE2 TYR A 124 18.695 25.699 -7.933 1.00 51.24 H new ATOM 0 HH TYR A 124 20.636 25.054 -7.105 1.00 32.53 H new ATOM 444 N CYS A 125 14.689 19.687 -10.254 1.00 54.53 N ATOM 445 CA CYS A 125 14.884 18.280 -10.577 1.00 52.21 C ATOM 446 C CYS A 125 16.342 17.999 -10.928 1.00 3.52 C ATOM 447 O CYS A 125 16.742 18.098 -12.089 1.00 4.05 O ATOM 448 CB CYS A 125 13.980 17.872 -11.743 1.00 13.10 C ATOM 449 SG CYS A 125 12.434 17.054 -11.234 1.00 73.33 S ATOM 0 H CYS A 125 14.154 20.208 -10.949 1.00 54.53 H new ATOM 0 HA CYS A 125 14.620 17.692 -9.698 1.00 52.21 H new ATOM 0 HB2 CYS A 125 13.734 18.760 -12.326 1.00 13.10 H new ATOM 0 HB3 CYS A 125 14.534 17.202 -12.401 1.00 13.10 H new ATOM 454 N ARG A 126 17.132 17.650 -9.918 1.00 14.31 N ATOM 455 CA ARG A 126 18.545 17.356 -10.118 1.00 62.31 C ATOM 456 C ARG A 126 18.799 15.852 -10.077 1.00 35.33 C ATOM 457 O ARG A 126 18.303 15.152 -9.193 1.00 41.04 O ATOM 458 CB ARG A 126 19.389 18.056 -9.052 1.00 63.24 C ATOM 459 CG ARG A 126 20.844 18.241 -9.452 1.00 62.24 C ATOM 460 CD ARG A 126 21.576 19.158 -8.484 1.00 63.34 C ATOM 461 NE ARG A 126 22.230 18.412 -7.413 1.00 24.41 N ATOM 462 CZ ARG A 126 23.233 18.894 -6.687 1.00 64.32 C ATOM 463 NH1 ARG A 126 23.694 20.116 -6.917 1.00 33.24 N ATOM 464 NH2 ARG A 126 23.777 18.154 -5.729 1.00 61.53 N ATOM 0 H ARG A 126 16.816 17.564 -8.952 1.00 14.31 H new ATOM 0 HA ARG A 126 18.832 17.728 -11.101 1.00 62.31 H new ATOM 0 HB2 ARG A 126 18.953 19.032 -8.838 1.00 63.24 H new ATOM 0 HB3 ARG A 126 19.345 17.478 -8.129 1.00 63.24 H new ATOM 0 HG2 ARG A 126 21.340 17.271 -9.482 1.00 62.24 H new ATOM 0 HG3 ARG A 126 20.896 18.657 -10.458 1.00 62.24 H new ATOM 0 HD2 ARG A 126 22.320 19.739 -9.028 1.00 63.34 H new ATOM 0 HD3 ARG A 126 20.870 19.868 -8.053 1.00 63.34 H new ATOM 0 HE ARG A 126 21.899 17.469 -7.211 1.00 24.41 H new ATOM 0 HH11 ARG A 126 23.278 20.688 -7.652 1.00 33.24 H new ATOM 0 HH12 ARG A 126 24.464 20.484 -6.358 1.00 33.24 H new ATOM 0 HH21 ARG A 126 23.425 17.214 -5.549 1.00 61.53 H new ATOM 0 HH22 ARG A 126 24.547 18.526 -5.173 1.00 61.53 H new ATOM 478 N VAL A 127 19.574 15.361 -11.039 1.00 13.15 N ATOM 479 CA VAL A 127 19.895 13.941 -11.112 1.00 32.21 C ATOM 480 C VAL A 127 20.915 13.552 -10.049 1.00 0.34 C ATOM 481 O VAL A 127 22.121 13.705 -10.244 1.00 3.54 O ATOM 482 CB VAL A 127 20.445 13.561 -12.499 1.00 61.50 C ATOM 483 CG1 VAL A 127 19.328 13.544 -13.531 1.00 54.34 C ATOM 484 CG2 VAL A 127 21.552 14.519 -12.914 1.00 21.22 C ATOM 0 H VAL A 127 19.991 15.926 -11.779 1.00 13.15 H new ATOM 0 HA VAL A 127 18.967 13.398 -10.936 1.00 32.21 H new ATOM 0 HB VAL A 127 20.867 12.558 -12.440 1.00 61.50 H new ATOM 0 HG11 VAL A 127 19.736 13.273 -14.505 1.00 54.34 H new ATOM 0 HG12 VAL A 127 18.573 12.814 -13.238 1.00 54.34 H new ATOM 0 HG13 VAL A 127 18.873 14.533 -13.591 1.00 54.34 H new ATOM 0 HG21 VAL A 127 21.929 14.235 -13.897 1.00 21.22 H new ATOM 0 HG22 VAL A 127 21.158 15.534 -12.956 1.00 21.22 H new ATOM 0 HG23 VAL A 127 22.363 14.474 -12.187 1.00 21.22 H new ATOM 494 N LEU A 128 20.424 13.047 -8.922 1.00 52.00 N ATOM 495 CA LEU A 128 21.294 12.635 -7.825 1.00 33.43 C ATOM 496 C LEU A 128 21.631 11.151 -7.926 1.00 74.41 C ATOM 497 O LEU A 128 21.959 10.509 -6.928 1.00 64.33 O ATOM 498 CB LEU A 128 20.624 12.927 -6.481 1.00 23.42 C ATOM 499 CG LEU A 128 20.777 14.353 -5.952 1.00 14.20 C ATOM 500 CD1 LEU A 128 22.232 14.653 -5.632 1.00 23.32 C ATOM 501 CD2 LEU A 128 20.234 15.356 -6.959 1.00 54.30 C ATOM 0 H LEU A 128 19.429 12.913 -8.744 1.00 52.00 H new ATOM 0 HA LEU A 128 22.221 13.205 -7.894 1.00 33.43 H new ATOM 0 HB2 LEU A 128 19.560 12.707 -6.572 1.00 23.42 H new ATOM 0 HB3 LEU A 128 21.029 12.240 -5.738 1.00 23.42 H new ATOM 0 HG LEU A 128 20.199 14.441 -5.032 1.00 14.20 H new ATOM 0 HD11 LEU A 128 22.319 15.673 -5.257 1.00 23.32 H new ATOM 0 HD12 LEU A 128 22.589 13.956 -4.874 1.00 23.32 H new ATOM 0 HD13 LEU A 128 22.833 14.546 -6.535 1.00 23.32 H new ATOM 0 HD21 LEU A 128 20.351 16.366 -6.566 1.00 54.30 H new ATOM 0 HD22 LEU A 128 20.784 15.265 -7.896 1.00 54.30 H new ATOM 0 HD23 LEU A 128 19.177 15.156 -7.138 1.00 54.30 H new ATOM 513 N SER A 129 21.549 10.612 -9.139 1.00 5.14 N ATOM 514 CA SER A 129 21.845 9.203 -9.370 1.00 63.22 C ATOM 515 C SER A 129 23.225 9.033 -9.999 1.00 41.45 C ATOM 516 O SER A 129 24.046 8.250 -9.521 1.00 61.01 O ATOM 517 CB SER A 129 20.780 8.578 -10.274 1.00 4.43 C ATOM 518 OG SER A 129 20.909 7.168 -10.315 1.00 10.51 O ATOM 0 H SER A 129 21.280 11.130 -9.976 1.00 5.14 H new ATOM 0 HA SER A 129 21.839 8.694 -8.406 1.00 63.22 H new ATOM 0 HB2 SER A 129 19.788 8.845 -9.910 1.00 4.43 H new ATOM 0 HB3 SER A 129 20.870 8.984 -11.282 1.00 4.43 H new ATOM 0 HG SER A 129 20.216 6.793 -10.898 1.00 10.51 H new ATOM 524 N LEU A 130 23.472 9.772 -11.076 1.00 4.34 N ATOM 525 CA LEU A 130 24.753 9.706 -11.772 1.00 33.12 C ATOM 526 C LEU A 130 24.998 8.306 -12.327 1.00 34.53 C ATOM 527 O LEU A 130 26.141 7.889 -12.504 1.00 43.21 O ATOM 528 CB LEU A 130 25.890 10.099 -10.828 1.00 3.21 C ATOM 529 CG LEU A 130 25.712 11.418 -10.076 1.00 13.13 C ATOM 530 CD1 LEU A 130 26.609 11.458 -8.848 1.00 4.12 C ATOM 531 CD2 LEU A 130 26.004 12.598 -10.991 1.00 24.52 C ATOM 0 H LEU A 130 22.803 10.423 -11.486 1.00 4.34 H new ATOM 0 HA LEU A 130 24.723 10.408 -12.605 1.00 33.12 H new ATOM 0 HB2 LEU A 130 26.020 9.301 -10.096 1.00 3.21 H new ATOM 0 HB3 LEU A 130 26.812 10.155 -11.406 1.00 3.21 H new ATOM 0 HG LEU A 130 24.676 11.488 -9.746 1.00 13.13 H new ATOM 0 HD11 LEU A 130 26.469 12.404 -8.326 1.00 4.12 H new ATOM 0 HD12 LEU A 130 26.351 10.634 -8.182 1.00 4.12 H new ATOM 0 HD13 LEU A 130 27.651 11.364 -9.155 1.00 4.12 H new ATOM 0 HD21 LEU A 130 25.872 13.528 -10.438 1.00 24.52 H new ATOM 0 HD22 LEU A 130 27.030 12.533 -11.352 1.00 24.52 H new ATOM 0 HD23 LEU A 130 25.319 12.579 -11.839 1.00 24.52 H new ATOM 543 N ASN A 131 23.915 7.586 -12.601 1.00 22.54 N ATOM 544 CA ASN A 131 24.013 6.232 -13.137 1.00 52.54 C ATOM 545 C ASN A 131 22.933 5.985 -14.187 1.00 63.23 C ATOM 546 O ASN A 131 22.546 4.843 -14.438 1.00 3.02 O ATOM 547 CB ASN A 131 23.890 5.205 -12.011 1.00 75.01 C ATOM 548 CG ASN A 131 25.230 4.870 -11.385 1.00 32.02 C ATOM 549 OD1 ASN A 131 25.782 5.655 -10.615 1.00 51.13 O ATOM 550 ND2 ASN A 131 25.759 3.697 -11.715 1.00 4.55 N ATOM 0 H ASN A 131 22.960 7.916 -12.461 1.00 22.54 H new ATOM 0 HA ASN A 131 24.988 6.125 -13.611 1.00 52.54 H new ATOM 0 HB2 ASN A 131 23.220 5.591 -11.243 1.00 75.01 H new ATOM 0 HB3 ASN A 131 23.437 4.294 -12.402 1.00 75.01 H new ATOM 0 HD21 ASN A 131 26.659 3.416 -11.326 1.00 4.55 H new ATOM 0 HD22 ASN A 131 25.265 3.078 -12.358 1.00 4.55 H new ATOM 557 N CYS A 132 22.452 7.062 -14.798 1.00 75.44 N ATOM 558 CA CYS A 132 21.418 6.963 -15.821 1.00 13.02 C ATOM 559 C CYS A 132 21.936 7.461 -17.168 1.00 12.43 C ATOM 560 O CYS A 132 22.910 8.211 -17.230 1.00 12.54 O ATOM 561 CB CYS A 132 20.183 7.766 -15.408 1.00 42.52 C ATOM 562 SG CYS A 132 18.684 7.372 -16.365 1.00 5.20 S ATOM 0 H CYS A 132 22.762 8.014 -14.602 1.00 75.44 H new ATOM 0 HA CYS A 132 21.142 5.913 -15.923 1.00 13.02 H new ATOM 0 HB2 CYS A 132 19.984 7.587 -14.351 1.00 42.52 H new ATOM 0 HB3 CYS A 132 20.401 8.828 -15.516 1.00 42.52 H new