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= 0.00601! USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.87) 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 -106:sc= 0.882 USER MOD Single : A 124 TYR OH : rot 130: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=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.555 20.964 -20.319 1.00 51.12 N ATOM 2 CA CYS A 93 8.833 20.585 -18.940 1.00 31.43 C ATOM 3 C CYS A 93 10.245 21.000 -18.534 1.00 72.34 C ATOM 4 O CYS A 93 10.962 21.634 -19.308 1.00 3.12 O ATOM 5 CB CYS A 93 8.662 19.076 -18.759 1.00 34.12 C ATOM 6 SG CYS A 93 9.380 18.079 -20.104 1.00 44.55 S ATOM 0 HA CYS A 93 8.122 21.105 -18.298 1.00 31.43 H new ATOM 0 HB2 CYS A 93 9.122 18.780 -17.816 1.00 34.12 H new ATOM 0 HB3 CYS A 93 7.599 18.849 -18.680 1.00 34.12 H new ATOM 11 N VAL A 94 10.636 20.637 -17.318 1.00 1.44 N ATOM 12 CA VAL A 94 11.961 20.970 -16.809 1.00 40.13 C ATOM 13 C VAL A 94 12.992 19.936 -17.248 1.00 24.14 C ATOM 14 O VAL A 94 12.805 18.735 -17.052 1.00 3.52 O ATOM 15 CB VAL A 94 11.966 21.065 -15.273 1.00 1.12 C ATOM 16 CG1 VAL A 94 13.350 20.757 -14.722 1.00 45.22 C ATOM 17 CG2 VAL A 94 11.499 22.440 -14.822 1.00 54.25 C ATOM 0 H VAL A 94 10.054 20.112 -16.666 1.00 1.44 H new ATOM 0 HA VAL A 94 12.225 21.942 -17.225 1.00 40.13 H new ATOM 0 HB VAL A 94 11.271 20.323 -14.880 1.00 1.12 H new ATOM 0 HG11 VAL A 94 13.333 20.829 -13.635 1.00 45.22 H new ATOM 0 HG12 VAL A 94 13.642 19.748 -15.014 1.00 45.22 H new ATOM 0 HG13 VAL A 94 14.068 21.473 -15.122 1.00 45.22 H new ATOM 0 HG21 VAL A 94 11.509 22.489 -13.733 1.00 54.25 H new ATOM 0 HG22 VAL A 94 12.167 23.201 -15.225 1.00 54.25 H new ATOM 0 HG23 VAL A 94 10.486 22.617 -15.184 1.00 54.25 H new ATOM 27 N ALA A 95 14.083 20.411 -17.840 1.00 42.12 N ATOM 28 CA ALA A 95 15.146 19.528 -18.304 1.00 5.22 C ATOM 29 C ALA A 95 15.971 19.001 -17.135 1.00 4.23 C ATOM 30 O ALA A 95 15.958 17.805 -16.840 1.00 4.42 O ATOM 31 CB ALA A 95 16.041 20.254 -19.297 1.00 52.44 C ATOM 0 H ALA A 95 14.254 21.402 -18.010 1.00 42.12 H new ATOM 0 HA ALA A 95 14.684 18.676 -18.803 1.00 5.22 H new ATOM 0 HB1 ALA A 95 16.830 19.582 -19.635 1.00 52.44 H new ATOM 0 HB2 ALA A 95 15.448 20.576 -20.153 1.00 52.44 H new ATOM 0 HB3 ALA A 95 16.487 21.124 -18.816 1.00 52.44 H new ATOM 37 N THR A 96 16.690 19.902 -16.470 1.00 62.52 N ATOM 38 CA THR A 96 17.523 19.528 -15.334 1.00 35.45 C ATOM 39 C THR A 96 17.906 20.749 -14.507 1.00 34.43 C ATOM 40 O THR A 96 18.073 21.845 -15.042 1.00 14.11 O ATOM 41 CB THR A 96 18.805 18.808 -15.790 1.00 63.34 C ATOM 42 OG1 THR A 96 18.506 17.904 -16.861 1.00 44.45 O ATOM 43 CG2 THR A 96 19.436 18.042 -14.637 1.00 22.23 C ATOM 0 H THR A 96 16.711 20.896 -16.699 1.00 62.52 H new ATOM 0 HA THR A 96 16.932 18.848 -14.720 1.00 35.45 H new ATOM 0 HB THR A 96 19.513 19.561 -16.137 1.00 63.34 H new ATOM 0 HG1 THR A 96 17.607 17.535 -16.736 1.00 44.45 H new ATOM 0 HG21 THR A 96 20.340 17.542 -14.984 1.00 22.23 H new ATOM 0 HG22 THR A 96 19.690 18.735 -13.835 1.00 22.23 H new ATOM 0 HG23 THR A 96 18.731 17.299 -14.264 1.00 22.23 H new ATOM 51 N ARG A 97 18.043 20.553 -13.199 1.00 44.40 N ATOM 52 CA ARG A 97 18.407 21.640 -12.299 1.00 1.24 C ATOM 53 C ARG A 97 17.705 22.934 -12.698 1.00 41.32 C ATOM 54 O ARG A 97 18.297 24.013 -12.652 1.00 13.13 O ATOM 55 CB ARG A 97 19.923 21.848 -12.300 1.00 34.44 C ATOM 56 CG ARG A 97 20.456 22.425 -13.600 1.00 62.31 C ATOM 57 CD ARG A 97 20.944 21.330 -14.537 1.00 52.34 C ATOM 58 NE ARG A 97 20.817 21.714 -15.940 1.00 22.31 N ATOM 59 CZ ARG A 97 21.699 22.477 -16.576 1.00 23.44 C ATOM 60 NH1 ARG A 97 22.767 22.935 -15.937 1.00 73.05 N ATOM 61 NH2 ARG A 97 21.514 22.783 -17.854 1.00 12.02 N ATOM 0 H ARG A 97 17.907 19.652 -12.740 1.00 44.40 H new ATOM 0 HA ARG A 97 18.086 21.367 -11.294 1.00 1.24 H new ATOM 0 HB2 ARG A 97 20.191 22.514 -11.480 1.00 34.44 H new ATOM 0 HB3 ARG A 97 20.413 20.893 -12.108 1.00 34.44 H new ATOM 0 HG2 ARG A 97 19.673 23.003 -14.091 1.00 62.31 H new ATOM 0 HG3 ARG A 97 21.274 23.113 -13.386 1.00 62.31 H new ATOM 0 HD2 ARG A 97 21.987 21.102 -14.316 1.00 52.34 H new ATOM 0 HD3 ARG A 97 20.374 20.419 -14.358 1.00 52.34 H new ATOM 0 HE ARG A 97 20.007 21.378 -16.460 1.00 22.31 H new ATOM 0 HH11 ARG A 97 22.913 22.702 -14.955 1.00 73.05 H new ATOM 0 HH12 ARG A 97 23.443 23.521 -16.428 1.00 73.05 H new ATOM 0 HH21 ARG A 97 20.694 22.432 -18.349 1.00 12.02 H new ATOM 0 HH22 ARG A 97 22.192 23.369 -18.341 1.00 12.02 H new ATOM 75 N ASN A 98 16.440 22.819 -13.090 1.00 42.21 N ATOM 76 CA ASN A 98 15.658 23.980 -13.498 1.00 42.54 C ATOM 77 C ASN A 98 14.671 24.383 -12.407 1.00 62.12 C ATOM 78 O ASN A 98 14.775 25.466 -11.830 1.00 60.33 O ATOM 79 CB ASN A 98 14.906 23.683 -14.798 1.00 43.20 C ATOM 80 CG ASN A 98 14.689 24.928 -15.637 1.00 74.53 C ATOM 81 OD1 ASN A 98 14.632 26.041 -15.114 1.00 62.34 O ATOM 82 ND2 ASN A 98 14.566 24.743 -16.946 1.00 74.53 N ATOM 0 H ASN A 98 15.935 21.934 -13.134 1.00 42.21 H new ATOM 0 HA ASN A 98 16.345 24.809 -13.665 1.00 42.54 H new ATOM 0 HB2 ASN A 98 15.465 22.950 -15.379 1.00 43.20 H new ATOM 0 HB3 ASN A 98 13.941 23.234 -14.562 1.00 43.20 H new ATOM 0 HD21 ASN A 98 14.418 25.542 -17.562 1.00 74.53 H new ATOM 0 HD22 ASN A 98 14.620 23.802 -17.335 1.00 74.53 H new ATOM 89 N SER A 99 13.714 23.503 -12.129 1.00 44.34 N ATOM 90 CA SER A 99 12.706 23.768 -11.109 1.00 54.43 C ATOM 91 C SER A 99 12.004 22.479 -10.691 1.00 43.22 C ATOM 92 O SER A 99 11.807 21.574 -11.503 1.00 41.31 O ATOM 93 CB SER A 99 11.678 24.777 -11.627 1.00 3.24 C ATOM 94 OG SER A 99 10.591 24.904 -10.727 1.00 44.11 O ATOM 0 H SER A 99 13.616 22.601 -12.595 1.00 44.34 H new ATOM 0 HA SER A 99 13.209 24.187 -10.237 1.00 54.43 H new ATOM 0 HB2 SER A 99 12.154 25.747 -11.766 1.00 3.24 H new ATOM 0 HB3 SER A 99 11.311 24.459 -12.603 1.00 3.24 H new ATOM 0 HG SER A 99 9.949 25.555 -11.079 1.00 44.11 H new ATOM 100 N CYS A 100 11.630 22.403 -9.419 1.00 74.31 N ATOM 101 CA CYS A 100 10.950 21.226 -8.891 1.00 3.12 C ATOM 102 C CYS A 100 9.456 21.487 -8.729 1.00 74.04 C ATOM 103 O CYS A 100 8.906 22.410 -9.332 1.00 0.11 O ATOM 104 CB CYS A 100 11.556 20.823 -7.545 1.00 10.21 C ATOM 105 SG CYS A 100 11.861 19.035 -7.372 1.00 11.03 S ATOM 0 H CYS A 100 11.786 23.143 -8.734 1.00 74.31 H new ATOM 0 HA CYS A 100 11.084 20.411 -9.602 1.00 3.12 H new ATOM 0 HB2 CYS A 100 12.497 21.356 -7.408 1.00 10.21 H new ATOM 0 HB3 CYS A 100 10.888 21.146 -6.747 1.00 10.21 H new ATOM 110 N LYS A 101 8.802 20.668 -7.913 1.00 51.33 N ATOM 111 CA LYS A 101 7.371 20.810 -7.671 1.00 25.43 C ATOM 112 C LYS A 101 6.573 20.506 -8.934 1.00 32.45 C ATOM 113 O LYS A 101 6.124 21.406 -9.645 1.00 10.12 O ATOM 114 CB LYS A 101 7.053 22.224 -7.181 1.00 40.13 C ATOM 115 CG LYS A 101 6.678 22.289 -5.711 1.00 3.14 C ATOM 116 CD LYS A 101 7.859 21.947 -4.818 1.00 3.11 C ATOM 117 CE LYS A 101 8.873 23.080 -4.778 1.00 4.33 C ATOM 118 NZ LYS A 101 8.817 23.830 -3.493 1.00 55.31 N ATOM 0 H LYS A 101 9.240 19.898 -7.407 1.00 51.33 H new ATOM 0 HA LYS A 101 7.085 20.093 -6.901 1.00 25.43 H new ATOM 0 HB2 LYS A 101 7.919 22.863 -7.355 1.00 40.13 H new ATOM 0 HB3 LYS A 101 6.233 22.629 -7.775 1.00 40.13 H new ATOM 0 HG2 LYS A 101 6.317 23.289 -5.471 1.00 3.14 H new ATOM 0 HG3 LYS A 101 5.859 21.598 -5.513 1.00 3.14 H new ATOM 0 HD2 LYS A 101 7.505 21.738 -3.808 1.00 3.11 H new ATOM 0 HD3 LYS A 101 8.340 21.039 -5.181 1.00 3.11 H new ATOM 0 HE2 LYS A 101 9.875 22.675 -4.919 1.00 4.33 H new ATOM 0 HE3 LYS A 101 8.686 23.764 -5.606 1.00 4.33 H new ATOM 0 HZ1 LYS A 101 9.523 24.593 -3.506 1.00 55.31 H new ATOM 0 HZ2 LYS A 101 7.868 24.238 -3.370 1.00 55.31 H new ATOM 0 HZ3 LYS A 101 9.020 23.183 -2.704 1.00 55.31 H new ATOM 132 N PRO A 102 6.388 19.208 -9.222 1.00 42.50 N ATOM 133 CA PRO A 102 5.642 18.758 -10.399 1.00 73.52 C ATOM 134 C PRO A 102 4.149 19.044 -10.284 1.00 12.23 C ATOM 135 O PRO A 102 3.341 18.128 -10.136 1.00 54.42 O ATOM 136 CB PRO A 102 5.895 17.248 -10.423 1.00 62.43 C ATOM 137 CG PRO A 102 6.192 16.892 -9.008 1.00 72.42 C ATOM 138 CD PRO A 102 6.895 18.083 -8.420 1.00 23.04 C ATOM 0 HA PRO A 102 5.962 19.273 -11.305 1.00 73.52 H new ATOM 0 HB2 PRO A 102 5.024 16.706 -10.793 1.00 62.43 H new ATOM 0 HB3 PRO A 102 6.729 16.997 -11.078 1.00 62.43 H new ATOM 0 HG2 PRO A 102 5.276 16.670 -8.461 1.00 72.42 H new ATOM 0 HG3 PRO A 102 6.819 16.002 -8.953 1.00 72.42 H new ATOM 0 HD2 PRO A 102 6.661 18.206 -7.362 1.00 23.04 H new ATOM 0 HD3 PRO A 102 7.978 17.989 -8.498 1.00 23.04 H new ATOM 146 N ALA A 103 3.789 20.323 -10.353 1.00 33.21 N ATOM 147 CA ALA A 103 2.393 20.730 -10.259 1.00 32.34 C ATOM 148 C ALA A 103 1.921 21.378 -11.555 1.00 74.31 C ATOM 149 O ALA A 103 0.830 21.087 -12.046 1.00 5.35 O ATOM 150 CB ALA A 103 2.199 21.682 -9.088 1.00 73.23 C ATOM 0 H ALA A 103 4.446 21.094 -10.474 1.00 33.21 H new ATOM 0 HA ALA A 103 1.790 19.837 -10.091 1.00 32.34 H new ATOM 0 HB1 ALA A 103 1.152 21.978 -9.029 1.00 73.23 H new ATOM 0 HB2 ALA A 103 2.488 21.184 -8.162 1.00 73.23 H new ATOM 0 HB3 ALA A 103 2.819 22.567 -9.232 1.00 73.23 H new ATOM 156 N ALA A 104 2.750 22.258 -12.106 1.00 43.43 N ATOM 157 CA ALA A 104 2.418 22.948 -13.347 1.00 55.22 C ATOM 158 C ALA A 104 2.924 22.172 -14.559 1.00 33.13 C ATOM 159 O ALA A 104 2.793 22.624 -15.696 1.00 23.31 O ATOM 160 CB ALA A 104 2.997 24.355 -13.341 1.00 34.33 C ATOM 0 H ALA A 104 3.657 22.510 -11.713 1.00 43.43 H new ATOM 0 HA ALA A 104 1.332 23.014 -13.417 1.00 55.22 H new ATOM 0 HB1 ALA A 104 2.741 24.858 -14.274 1.00 34.33 H new ATOM 0 HB2 ALA A 104 2.584 24.915 -12.502 1.00 34.33 H new ATOM 0 HB3 ALA A 104 4.081 24.302 -13.243 1.00 34.33 H new ATOM 166 N ALA A 105 3.500 21.001 -14.306 1.00 44.34 N ATOM 167 CA ALA A 105 4.025 20.162 -15.377 1.00 32.53 C ATOM 168 C ALA A 105 5.392 20.651 -15.839 1.00 3.32 C ATOM 169 O ALA A 105 5.588 20.956 -17.015 1.00 31.32 O ATOM 170 CB ALA A 105 3.051 20.128 -16.546 1.00 21.01 C ATOM 0 H ALA A 105 3.615 20.612 -13.370 1.00 44.34 H new ATOM 0 HA ALA A 105 4.144 19.151 -14.987 1.00 32.53 H new ATOM 0 HB1 ALA A 105 3.455 19.498 -17.338 1.00 21.01 H new ATOM 0 HB2 ALA A 105 2.096 19.723 -16.212 1.00 21.01 H new ATOM 0 HB3 ALA A 105 2.903 21.139 -16.926 1.00 21.01 H new ATOM 176 N ALA A 106 6.336 20.726 -14.906 1.00 2.43 N ATOM 177 CA ALA A 106 7.686 21.178 -15.219 1.00 0.23 C ATOM 178 C ALA A 106 8.730 20.303 -14.533 1.00 1.10 C ATOM 179 O ALA A 106 9.455 20.760 -13.649 1.00 51.22 O ATOM 180 CB ALA A 106 7.863 22.633 -14.810 1.00 24.24 C ATOM 0 H ALA A 106 6.190 20.479 -13.927 1.00 2.43 H new ATOM 0 HA ALA A 106 7.831 21.094 -16.296 1.00 0.23 H new ATOM 0 HB1 ALA A 106 8.876 22.958 -15.049 1.00 24.24 H new ATOM 0 HB2 ALA A 106 7.146 23.252 -15.349 1.00 24.24 H new ATOM 0 HB3 ALA A 106 7.694 22.733 -13.738 1.00 24.24 H new ATOM 186 N CYS A 107 8.801 19.042 -14.945 1.00 60.42 N ATOM 187 CA CYS A 107 9.755 18.101 -14.371 1.00 41.41 C ATOM 188 C CYS A 107 9.563 16.705 -14.957 1.00 23.24 C ATOM 189 O CYS A 107 9.143 15.780 -14.261 1.00 55.21 O ATOM 190 CB CYS A 107 9.603 18.053 -12.849 1.00 10.52 C ATOM 191 SG CYS A 107 11.081 18.600 -11.936 1.00 4.31 S ATOM 0 H CYS A 107 8.208 18.648 -15.675 1.00 60.42 H new ATOM 0 HA CYS A 107 10.759 18.444 -14.619 1.00 41.41 H new ATOM 0 HB2 CYS A 107 8.758 18.678 -12.559 1.00 10.52 H new ATOM 0 HB3 CYS A 107 9.362 17.033 -12.551 1.00 10.52 H new ATOM 196 N CYS A 108 9.876 16.560 -16.240 1.00 13.21 N ATOM 197 CA CYS A 108 9.738 15.278 -16.921 1.00 31.10 C ATOM 198 C CYS A 108 11.046 14.493 -16.871 1.00 43.13 C ATOM 199 O CYS A 108 11.449 13.878 -17.858 1.00 25.34 O ATOM 200 CB CYS A 108 9.313 15.493 -18.375 1.00 64.50 C ATOM 201 SG CYS A 108 10.437 16.565 -19.327 1.00 10.01 S ATOM 0 H CYS A 108 10.227 17.315 -16.829 1.00 13.21 H new ATOM 0 HA CYS A 108 8.969 14.701 -16.407 1.00 31.10 H new ATOM 0 HB2 CYS A 108 9.246 14.524 -18.870 1.00 64.50 H new ATOM 0 HB3 CYS A 108 8.314 15.928 -18.390 1.00 64.50 H new ATOM 206 N ASP A 109 11.702 14.520 -15.716 1.00 11.10 N ATOM 207 CA ASP A 109 12.963 13.810 -15.537 1.00 10.13 C ATOM 208 C ASP A 109 12.787 12.619 -14.600 1.00 4.22 C ATOM 209 O ASP A 109 13.064 12.694 -13.403 1.00 12.43 O ATOM 210 CB ASP A 109 14.032 14.756 -14.985 1.00 75.15 C ATOM 211 CG ASP A 109 15.421 14.409 -15.480 1.00 44.40 C ATOM 212 OD1 ASP A 109 15.825 13.235 -15.344 1.00 73.12 O ATOM 213 OD2 ASP A 109 16.108 15.312 -16.003 1.00 5.53 O ATOM 0 H ASP A 109 11.382 15.026 -14.890 1.00 11.10 H new ATOM 0 HA ASP A 109 13.285 13.440 -16.510 1.00 10.13 H new ATOM 0 HB2 ASP A 109 13.792 15.779 -15.273 1.00 75.15 H new ATOM 0 HB3 ASP A 109 14.018 14.720 -13.896 1.00 75.15 H new ATOM 218 N PRO A 110 12.316 11.493 -15.155 1.00 73.03 N ATOM 219 CA PRO A 110 12.093 10.265 -14.386 1.00 74.12 C ATOM 220 C PRO A 110 13.397 9.614 -13.941 1.00 31.05 C ATOM 221 O PRO A 110 13.393 8.650 -13.175 1.00 13.00 O ATOM 222 CB PRO A 110 11.352 9.358 -15.374 1.00 65.43 C ATOM 223 CG PRO A 110 11.764 9.849 -16.720 1.00 21.22 C ATOM 224 CD PRO A 110 11.965 11.332 -16.576 1.00 62.05 C ATOM 0 HA PRO A 110 11.543 10.456 -13.465 1.00 74.12 H new ATOM 0 HB2 PRO A 110 11.625 8.312 -15.233 1.00 65.43 H new ATOM 0 HB3 PRO A 110 10.272 9.426 -15.241 1.00 65.43 H new ATOM 0 HG2 PRO A 110 12.681 9.361 -17.049 1.00 21.22 H new ATOM 0 HG3 PRO A 110 11.000 9.629 -17.466 1.00 21.22 H new ATOM 0 HD2 PRO A 110 12.758 11.695 -17.229 1.00 62.05 H new ATOM 0 HD3 PRO A 110 11.062 11.887 -16.832 1.00 62.05 H new ATOM 232 N CYS A 111 14.515 10.148 -14.424 1.00 35.32 N ATOM 233 CA CYS A 111 15.827 9.620 -14.075 1.00 5.04 C ATOM 234 C CYS A 111 16.532 10.530 -13.073 1.00 55.10 C ATOM 235 O CYS A 111 17.649 10.250 -12.643 1.00 24.32 O ATOM 236 CB CYS A 111 16.688 9.464 -15.330 1.00 73.44 C ATOM 237 SG CYS A 111 17.172 7.745 -15.692 1.00 31.13 S ATOM 0 H CYS A 111 14.537 10.946 -15.058 1.00 35.32 H new ATOM 0 HA CYS A 111 15.685 8.642 -13.615 1.00 5.04 H new ATOM 0 HB2 CYS A 111 16.142 9.864 -16.184 1.00 73.44 H new ATOM 0 HB3 CYS A 111 17.589 10.067 -15.217 1.00 73.44 H new ATOM 242 N ALA A 112 15.868 11.621 -12.706 1.00 45.43 N ATOM 243 CA ALA A 112 16.428 12.572 -11.754 1.00 11.11 C ATOM 244 C ALA A 112 15.670 12.536 -10.431 1.00 11.14 C ATOM 245 O ALA A 112 14.841 11.655 -10.204 1.00 53.15 O ATOM 246 CB ALA A 112 16.409 13.978 -12.337 1.00 14.25 C ATOM 0 H ALA A 112 14.941 11.868 -13.054 1.00 45.43 H new ATOM 0 HA ALA A 112 17.461 12.286 -11.559 1.00 11.11 H new ATOM 0 HB1 ALA A 112 16.830 14.677 -11.615 1.00 14.25 H new ATOM 0 HB2 ALA A 112 17.001 14.001 -13.252 1.00 14.25 H new ATOM 0 HB3 ALA A 112 15.382 14.264 -12.563 1.00 14.25 H new ATOM 252 N SER A 113 15.961 13.497 -9.560 1.00 72.15 N ATOM 253 CA SER A 113 15.310 13.572 -8.258 1.00 52.23 C ATOM 254 C SER A 113 15.239 15.015 -7.769 1.00 12.53 C ATOM 255 O SER A 113 16.075 15.846 -8.125 1.00 44.31 O ATOM 256 CB SER A 113 16.059 12.711 -7.239 1.00 44.05 C ATOM 257 OG SER A 113 15.204 12.309 -6.183 1.00 74.45 O ATOM 0 H SER A 113 16.644 14.235 -9.733 1.00 72.15 H new ATOM 0 HA SER A 113 14.294 13.193 -8.365 1.00 52.23 H new ATOM 0 HB2 SER A 113 16.469 11.831 -7.734 1.00 44.05 H new ATOM 0 HB3 SER A 113 16.902 13.271 -6.835 1.00 44.05 H new ATOM 0 HG SER A 113 15.707 11.759 -5.547 1.00 74.45 H new ATOM 263 N CYS A 114 14.235 15.306 -6.948 1.00 35.20 N ATOM 264 CA CYS A 114 14.053 16.648 -6.408 1.00 14.52 C ATOM 265 C CYS A 114 15.171 16.997 -5.430 1.00 54.25 C ATOM 266 O CYS A 114 15.203 16.501 -4.304 1.00 73.32 O ATOM 267 CB CYS A 114 12.695 16.759 -5.710 1.00 22.01 C ATOM 268 SG CYS A 114 12.094 18.468 -5.520 1.00 70.12 S ATOM 0 H CYS A 114 13.535 14.630 -6.642 1.00 35.20 H new ATOM 0 HA CYS A 114 14.087 17.355 -7.237 1.00 14.52 H new ATOM 0 HB2 CYS A 114 11.960 16.188 -6.276 1.00 22.01 H new ATOM 0 HB3 CYS A 114 12.766 16.299 -4.725 1.00 22.01 H new ATOM 273 N TYR A 115 16.085 17.856 -5.868 1.00 30.01 N ATOM 274 CA TYR A 115 17.206 18.270 -5.033 1.00 12.21 C ATOM 275 C TYR A 115 17.076 19.738 -4.635 1.00 52.14 C ATOM 276 O TYR A 115 16.575 20.559 -5.404 1.00 74.22 O ATOM 277 CB TYR A 115 18.527 18.045 -5.768 1.00 61.33 C ATOM 278 CG TYR A 115 19.689 18.807 -5.172 1.00 23.53 C ATOM 279 CD1 TYR A 115 20.348 18.335 -4.043 1.00 43.03 C ATOM 280 CD2 TYR A 115 20.130 19.996 -5.739 1.00 15.34 C ATOM 281 CE1 TYR A 115 21.410 19.028 -3.495 1.00 23.13 C ATOM 282 CE2 TYR A 115 21.192 20.695 -5.198 1.00 33.11 C ATOM 283 CZ TYR A 115 21.828 20.207 -4.075 1.00 42.55 C ATOM 284 OH TYR A 115 22.886 20.900 -3.533 1.00 5.23 O ATOM 0 H TYR A 115 16.071 18.279 -6.796 1.00 30.01 H new ATOM 0 HA TYR A 115 17.194 17.664 -4.127 1.00 12.21 H new ATOM 0 HB2 TYR A 115 18.760 16.980 -5.761 1.00 61.33 H new ATOM 0 HB3 TYR A 115 18.407 18.339 -6.811 1.00 61.33 H new ATOM 0 HD1 TYR A 115 20.024 17.411 -3.587 1.00 43.03 H new ATOM 0 HD2 TYR A 115 19.634 20.381 -6.618 1.00 15.34 H new ATOM 0 HE1 TYR A 115 21.910 18.648 -2.617 1.00 23.13 H new ATOM 0 HE2 TYR A 115 21.522 21.618 -5.651 1.00 33.11 H new ATOM 0 HH TYR A 115 23.053 21.708 -4.062 1.00 5.23 H new ATOM 294 N CYS A 116 17.531 20.060 -3.429 1.00 41.14 N ATOM 295 CA CYS A 116 17.467 21.427 -2.928 1.00 62.22 C ATOM 296 C CYS A 116 18.856 21.932 -2.546 1.00 74.21 C ATOM 297 O CYS A 116 19.761 21.144 -2.276 1.00 63.43 O ATOM 298 CB CYS A 116 16.533 21.505 -1.718 1.00 44.42 C ATOM 299 SG CYS A 116 14.858 20.863 -2.029 1.00 54.24 S ATOM 0 H CYS A 116 17.948 19.392 -2.780 1.00 41.14 H new ATOM 0 HA CYS A 116 17.075 22.061 -3.723 1.00 62.22 H new ATOM 0 HB2 CYS A 116 16.977 20.947 -0.893 1.00 44.42 H new ATOM 0 HB3 CYS A 116 16.458 22.544 -1.397 1.00 44.42 H new ATOM 304 N ARG A 117 19.014 23.251 -2.526 1.00 4.33 N ATOM 305 CA ARG A 117 20.291 23.862 -2.178 1.00 24.32 C ATOM 306 C ARG A 117 20.176 24.669 -0.887 1.00 60.54 C ATOM 307 O ARG A 117 19.156 24.614 -0.200 1.00 5.13 O ATOM 308 CB ARG A 117 20.775 24.764 -3.314 1.00 44.10 C ATOM 309 CG ARG A 117 19.647 25.387 -4.121 1.00 30.53 C ATOM 310 CD ARG A 117 18.833 26.359 -3.281 1.00 74.24 C ATOM 311 NE ARG A 117 18.194 27.386 -4.100 1.00 2.44 N ATOM 312 CZ ARG A 117 18.825 28.464 -4.550 1.00 14.43 C ATOM 313 NH1 ARG A 117 20.105 28.655 -4.263 1.00 63.24 N ATOM 314 NH2 ARG A 117 18.175 29.355 -5.288 1.00 24.22 N ATOM 0 H ARG A 117 18.274 23.917 -2.747 1.00 4.33 H new ATOM 0 HA ARG A 117 21.016 23.063 -2.023 1.00 24.32 H new ATOM 0 HB2 ARG A 117 21.394 25.559 -2.897 1.00 44.10 H new ATOM 0 HB3 ARG A 117 21.410 24.183 -3.982 1.00 44.10 H new ATOM 0 HG2 ARG A 117 20.060 25.908 -4.984 1.00 30.53 H new ATOM 0 HG3 ARG A 117 18.996 24.602 -4.505 1.00 30.53 H new ATOM 0 HD2 ARG A 117 18.071 25.810 -2.728 1.00 74.24 H new ATOM 0 HD3 ARG A 117 19.482 26.834 -2.545 1.00 74.24 H new ATOM 0 HE ARG A 117 17.209 27.269 -4.339 1.00 2.44 H new ATOM 0 HH11 ARG A 117 20.608 27.973 -3.695 1.00 63.24 H new ATOM 0 HH12 ARG A 117 20.587 29.484 -4.610 1.00 63.24 H new ATOM 0 HH21 ARG A 117 17.190 29.212 -5.510 1.00 24.22 H new ATOM 0 HH22 ARG A 117 18.661 30.183 -5.633 1.00 24.22 H new ATOM 328 N PHE A 118 21.227 25.415 -0.566 1.00 73.41 N ATOM 329 CA PHE A 118 21.245 26.230 0.642 1.00 53.44 C ATOM 330 C PHE A 118 19.894 26.907 0.861 1.00 21.22 C ATOM 331 O PHE A 118 19.275 26.755 1.915 1.00 5.10 O ATOM 332 CB PHE A 118 22.348 27.287 0.554 1.00 55.14 C ATOM 333 CG PHE A 118 23.689 26.794 1.015 1.00 72.01 C ATOM 334 CD1 PHE A 118 24.183 25.576 0.576 1.00 71.33 C ATOM 335 CD2 PHE A 118 24.457 27.548 1.888 1.00 20.33 C ATOM 336 CE1 PHE A 118 25.416 25.119 1.000 1.00 44.54 C ATOM 337 CE2 PHE A 118 25.692 27.097 2.315 1.00 12.00 C ATOM 338 CZ PHE A 118 26.172 25.881 1.869 1.00 14.20 C ATOM 0 H PHE A 118 22.078 25.472 -1.126 1.00 73.41 H new ATOM 0 HA PHE A 118 21.446 25.574 1.489 1.00 53.44 H new ATOM 0 HB2 PHE A 118 22.431 27.629 -0.478 1.00 55.14 H new ATOM 0 HB3 PHE A 118 22.061 28.150 1.154 1.00 55.14 H new ATOM 0 HD1 PHE A 118 23.597 24.977 -0.106 1.00 71.33 H new ATOM 0 HD2 PHE A 118 24.086 28.500 2.239 1.00 20.33 H new ATOM 0 HE1 PHE A 118 25.788 24.167 0.652 1.00 44.54 H new ATOM 0 HE2 PHE A 118 26.280 27.694 2.996 1.00 12.00 H new ATOM 0 HZ PHE A 118 27.137 25.527 2.199 1.00 14.20 H new ATOM 348 N PHE A 119 19.443 27.652 -0.141 1.00 50.43 N ATOM 349 CA PHE A 119 18.167 28.354 -0.059 1.00 73.30 C ATOM 350 C PHE A 119 17.065 27.421 0.437 1.00 22.41 C ATOM 351 O PHE A 119 16.295 27.772 1.331 1.00 12.51 O ATOM 352 CB PHE A 119 17.786 28.928 -1.424 1.00 63.44 C ATOM 353 CG PHE A 119 17.134 30.279 -1.346 1.00 74.04 C ATOM 354 CD1 PHE A 119 17.789 31.346 -0.753 1.00 60.43 C ATOM 355 CD2 PHE A 119 15.865 30.481 -1.866 1.00 21.52 C ATOM 356 CE1 PHE A 119 17.192 32.590 -0.681 1.00 14.52 C ATOM 357 CE2 PHE A 119 15.262 31.722 -1.796 1.00 44.40 C ATOM 358 CZ PHE A 119 15.926 32.778 -1.201 1.00 74.45 C ATOM 0 H PHE A 119 19.942 27.786 -1.021 1.00 50.43 H new ATOM 0 HA PHE A 119 18.277 29.172 0.653 1.00 73.30 H new ATOM 0 HB2 PHE A 119 18.681 29.001 -2.041 1.00 63.44 H new ATOM 0 HB3 PHE A 119 17.109 28.235 -1.924 1.00 63.44 H new ATOM 0 HD1 PHE A 119 18.778 31.204 -0.342 1.00 60.43 H new ATOM 0 HD2 PHE A 119 15.342 29.659 -2.331 1.00 21.52 H new ATOM 0 HE1 PHE A 119 17.714 33.414 -0.219 1.00 14.52 H new ATOM 0 HE2 PHE A 119 14.273 31.867 -2.206 1.00 44.40 H new ATOM 0 HZ PHE A 119 15.456 33.749 -1.143 1.00 74.45 H new ATOM 368 N ARG A 120 16.997 26.230 -0.149 1.00 45.53 N ATOM 369 CA ARG A 120 15.990 25.247 0.230 1.00 2.41 C ATOM 370 C ARG A 120 14.586 25.760 -0.079 1.00 21.23 C ATOM 371 O ARG A 120 13.596 25.225 0.419 1.00 1.43 O ATOM 372 CB ARG A 120 16.107 24.915 1.719 1.00 53.40 C ATOM 373 CG ARG A 120 15.467 23.591 2.100 1.00 52.11 C ATOM 374 CD ARG A 120 16.432 22.431 1.909 1.00 21.13 C ATOM 375 NE ARG A 120 17.596 22.538 2.785 1.00 44.14 N ATOM 376 CZ ARG A 120 18.469 21.554 2.972 1.00 15.01 C ATOM 377 NH1 ARG A 120 18.308 20.394 2.349 1.00 11.30 N ATOM 378 NH2 ARG A 120 19.503 21.728 3.784 1.00 22.11 N ATOM 0 H ARG A 120 17.628 25.923 -0.889 1.00 45.53 H new ATOM 0 HA ARG A 120 16.164 24.342 -0.352 1.00 2.41 H new ATOM 0 HB2 ARG A 120 17.161 24.892 1.996 1.00 53.40 H new ATOM 0 HB3 ARG A 120 15.643 25.713 2.298 1.00 53.40 H new ATOM 0 HG2 ARG A 120 15.142 23.628 3.140 1.00 52.11 H new ATOM 0 HG3 ARG A 120 14.576 23.428 1.494 1.00 52.11 H new ATOM 0 HD2 ARG A 120 15.914 21.492 2.107 1.00 21.13 H new ATOM 0 HD3 ARG A 120 16.761 22.401 0.870 1.00 21.13 H new ATOM 0 HE ARG A 120 17.747 23.417 3.281 1.00 44.14 H new ATOM 0 HH11 ARG A 120 17.513 20.256 1.725 1.00 11.30 H new ATOM 0 HH12 ARG A 120 18.979 19.640 2.494 1.00 11.30 H new ATOM 0 HH21 ARG A 120 19.629 22.618 4.266 1.00 22.11 H new ATOM 0 HH22 ARG A 120 20.172 20.972 3.927 1.00 22.11 H new ATOM 392 N SER A 121 14.510 26.800 -0.902 1.00 52.14 N ATOM 393 CA SER A 121 13.229 27.388 -1.274 1.00 52.20 C ATOM 394 C SER A 121 13.016 27.318 -2.784 1.00 11.01 C ATOM 395 O SER A 121 11.913 27.548 -3.278 1.00 10.43 O ATOM 396 CB SER A 121 13.155 28.843 -0.805 1.00 73.30 C ATOM 397 OG SER A 121 12.746 29.698 -1.857 1.00 52.43 O ATOM 0 H SER A 121 15.321 27.253 -1.324 1.00 52.14 H new ATOM 0 HA SER A 121 12.440 26.816 -0.786 1.00 52.20 H new ATOM 0 HB2 SER A 121 12.456 28.925 0.027 1.00 73.30 H new ATOM 0 HB3 SER A 121 14.130 29.159 -0.434 1.00 73.30 H new ATOM 0 HG SER A 121 13.513 30.220 -2.171 1.00 52.43 H new ATOM 403 N ALA A 122 14.082 26.998 -3.510 1.00 42.30 N ATOM 404 CA ALA A 122 14.014 26.895 -4.962 1.00 54.23 C ATOM 405 C ALA A 122 14.638 25.593 -5.450 1.00 63.54 C ATOM 406 O ALA A 122 15.654 25.603 -6.148 1.00 14.43 O ATOM 407 CB ALA A 122 14.701 28.088 -5.609 1.00 50.44 C ATOM 0 H ALA A 122 15.003 26.806 -3.116 1.00 42.30 H new ATOM 0 HA ALA A 122 12.963 26.894 -5.252 1.00 54.23 H new ATOM 0 HB1 ALA A 122 14.642 27.997 -6.694 1.00 50.44 H new ATOM 0 HB2 ALA A 122 14.207 29.007 -5.294 1.00 50.44 H new ATOM 0 HB3 ALA A 122 15.747 28.115 -5.303 1.00 50.44 H new ATOM 413 N CYS A 123 14.027 24.473 -5.081 1.00 13.33 N ATOM 414 CA CYS A 123 14.524 23.161 -5.479 1.00 50.43 C ATOM 415 C CYS A 123 14.315 22.932 -6.973 1.00 53.04 C ATOM 416 O CYS A 123 13.460 23.563 -7.595 1.00 72.03 O ATOM 417 CB CYS A 123 13.823 22.062 -4.679 1.00 52.02 C ATOM 418 SG CYS A 123 13.798 22.351 -2.881 1.00 23.44 S ATOM 0 H CYS A 123 13.185 24.447 -4.506 1.00 13.33 H new ATOM 0 HA CYS A 123 15.593 23.126 -5.270 1.00 50.43 H new ATOM 0 HB2 CYS A 123 12.797 21.967 -5.035 1.00 52.02 H new ATOM 0 HB3 CYS A 123 14.319 21.112 -4.876 1.00 52.02 H new ATOM 423 N TYR A 124 15.100 22.024 -7.542 1.00 14.53 N ATOM 424 CA TYR A 124 15.002 21.712 -8.963 1.00 60.43 C ATOM 425 C TYR A 124 15.256 20.229 -9.214 1.00 22.15 C ATOM 426 O TYR A 124 15.805 19.528 -8.362 1.00 50.22 O ATOM 427 CB TYR A 124 15.999 22.554 -9.761 1.00 75.33 C ATOM 428 CG TYR A 124 17.221 22.959 -8.968 1.00 70.41 C ATOM 429 CD1 TYR A 124 18.303 22.097 -8.835 1.00 71.25 C ATOM 430 CD2 TYR A 124 17.294 24.201 -8.352 1.00 42.41 C ATOM 431 CE1 TYR A 124 19.422 22.462 -8.112 1.00 25.33 C ATOM 432 CE2 TYR A 124 18.409 24.575 -7.627 1.00 23.21 C ATOM 433 CZ TYR A 124 19.470 23.702 -7.510 1.00 71.30 C ATOM 434 OH TYR A 124 20.583 24.070 -6.788 1.00 34.32 O ATOM 0 H TYR A 124 15.811 21.491 -7.041 1.00 14.53 H new ATOM 0 HA TYR A 124 13.990 21.949 -9.292 1.00 60.43 H new ATOM 0 HB2 TYR A 124 16.316 21.991 -10.639 1.00 75.33 H new ATOM 0 HB3 TYR A 124 15.497 23.451 -10.122 1.00 75.33 H new ATOM 0 HD1 TYR A 124 18.268 21.125 -9.305 1.00 71.25 H new ATOM 0 HD2 TYR A 124 16.465 24.887 -8.441 1.00 42.41 H new ATOM 0 HE1 TYR A 124 20.254 21.780 -8.019 1.00 25.33 H new ATOM 0 HE2 TYR A 124 18.449 25.545 -7.155 1.00 23.21 H new ATOM 0 HH TYR A 124 20.886 24.954 -7.082 1.00 34.32 H new ATOM 444 N CYS A 125 14.855 19.757 -10.389 1.00 72.31 N ATOM 445 CA CYS A 125 15.038 18.357 -10.755 1.00 44.44 C ATOM 446 C CYS A 125 16.506 18.061 -11.053 1.00 11.34 C ATOM 447 O CYS A 125 16.975 18.261 -12.172 1.00 63.44 O ATOM 448 CB CYS A 125 14.180 18.010 -11.972 1.00 42.31 C ATOM 449 SG CYS A 125 12.540 17.334 -11.557 1.00 75.54 S ATOM 0 H CYS A 125 14.401 20.324 -11.105 1.00 72.31 H new ATOM 0 HA CYS A 125 14.725 17.742 -9.911 1.00 44.44 H new ATOM 0 HB2 CYS A 125 14.049 18.906 -12.578 1.00 42.31 H new ATOM 0 HB3 CYS A 125 14.715 17.285 -12.586 1.00 42.31 H new ATOM 454 N ARG A 126 17.223 17.582 -10.041 1.00 31.12 N ATOM 455 CA ARG A 126 18.637 17.258 -10.194 1.00 21.02 C ATOM 456 C ARG A 126 18.864 15.753 -10.095 1.00 11.43 C ATOM 457 O ARG A 126 18.349 15.095 -9.190 1.00 24.01 O ATOM 458 CB ARG A 126 19.465 17.981 -9.129 1.00 13.15 C ATOM 459 CG ARG A 126 20.934 18.122 -9.491 1.00 60.43 C ATOM 460 CD ARG A 126 21.226 19.477 -10.115 1.00 42.45 C ATOM 461 NE ARG A 126 22.496 20.031 -9.650 1.00 75.11 N ATOM 462 CZ ARG A 126 23.681 19.610 -10.076 1.00 51.54 C ATOM 463 NH1 ARG A 126 23.760 18.638 -10.973 1.00 20.14 N ATOM 464 NH2 ARG A 126 24.791 20.165 -9.606 1.00 25.23 N ATOM 0 H ARG A 126 16.849 17.410 -9.108 1.00 31.12 H new ATOM 0 HA ARG A 126 18.956 17.591 -11.182 1.00 21.02 H new ATOM 0 HB2 ARG A 126 19.043 18.973 -8.965 1.00 13.15 H new ATOM 0 HB3 ARG A 126 19.382 17.439 -8.187 1.00 13.15 H new ATOM 0 HG2 ARG A 126 21.544 17.993 -8.597 1.00 60.43 H new ATOM 0 HG3 ARG A 126 21.216 17.332 -10.186 1.00 60.43 H new ATOM 0 HD2 ARG A 126 21.249 19.379 -11.200 1.00 42.45 H new ATOM 0 HD3 ARG A 126 20.419 20.169 -9.874 1.00 42.45 H new ATOM 0 HE ARG A 126 22.471 20.782 -8.960 1.00 75.11 H new ATOM 0 HH11 ARG A 126 22.909 18.211 -11.338 1.00 20.14 H new ATOM 0 HH12 ARG A 126 24.672 18.317 -11.298 1.00 20.14 H new ATOM 0 HH21 ARG A 126 24.734 20.915 -8.917 1.00 25.23 H new ATOM 0 HH22 ARG A 126 25.701 19.841 -9.933 1.00 25.23 H new ATOM 478 N VAL A 127 19.636 15.214 -11.032 1.00 32.55 N ATOM 479 CA VAL A 127 19.932 13.786 -11.051 1.00 23.33 C ATOM 480 C VAL A 127 20.964 13.424 -9.988 1.00 41.34 C ATOM 481 O VAL A 127 22.170 13.550 -10.209 1.00 51.24 O ATOM 482 CB VAL A 127 20.452 13.337 -12.429 1.00 0.41 C ATOM 483 CG1 VAL A 127 19.318 13.304 -13.443 1.00 13.51 C ATOM 484 CG2 VAL A 127 21.571 14.255 -12.899 1.00 33.32 C ATOM 0 H VAL A 127 20.068 15.744 -11.789 1.00 32.55 H new ATOM 0 HA VAL A 127 18.997 13.267 -10.838 1.00 23.33 H new ATOM 0 HB VAL A 127 20.854 12.328 -12.336 1.00 0.41 H new ATOM 0 HG11 VAL A 127 19.704 12.985 -14.411 1.00 13.51 H new ATOM 0 HG12 VAL A 127 18.552 12.604 -13.109 1.00 13.51 H new ATOM 0 HG13 VAL A 127 18.884 14.300 -13.536 1.00 13.51 H new ATOM 0 HG21 VAL A 127 21.928 13.924 -13.874 1.00 33.32 H new ATOM 0 HG22 VAL A 127 21.196 15.275 -12.977 1.00 33.32 H new ATOM 0 HG23 VAL A 127 22.392 14.224 -12.183 1.00 33.32 H new ATOM 494 N LEU A 128 20.485 12.974 -8.834 1.00 60.33 N ATOM 495 CA LEU A 128 21.366 12.593 -7.736 1.00 5.10 C ATOM 496 C LEU A 128 21.677 11.100 -7.779 1.00 55.54 C ATOM 497 O LEU A 128 22.001 10.494 -6.758 1.00 60.50 O ATOM 498 CB LEU A 128 20.727 12.955 -6.393 1.00 74.24 C ATOM 499 CG LEU A 128 20.902 14.402 -5.935 1.00 14.43 C ATOM 500 CD1 LEU A 128 22.364 14.696 -5.638 1.00 31.31 C ATOM 501 CD2 LEU A 128 20.367 15.364 -6.986 1.00 73.12 C ATOM 0 H LEU A 128 19.491 12.864 -8.634 1.00 60.33 H new ATOM 0 HA LEU A 128 22.301 13.143 -7.846 1.00 5.10 H new ATOM 0 HB2 LEU A 128 19.660 12.740 -6.451 1.00 74.24 H new ATOM 0 HB3 LEU A 128 21.143 12.300 -5.627 1.00 74.24 H new ATOM 0 HG LEU A 128 20.330 14.542 -5.018 1.00 14.43 H new ATOM 0 HD11 LEU A 128 22.468 15.731 -5.313 1.00 31.31 H new ATOM 0 HD12 LEU A 128 22.716 14.031 -4.849 1.00 31.31 H new ATOM 0 HD13 LEU A 128 22.957 14.537 -6.538 1.00 31.31 H new ATOM 0 HD21 LEU A 128 20.500 16.390 -6.642 1.00 73.12 H new ATOM 0 HD22 LEU A 128 20.910 15.221 -7.920 1.00 73.12 H new ATOM 0 HD23 LEU A 128 19.307 15.171 -7.150 1.00 73.12 H new ATOM 513 N SER A 129 21.576 10.514 -8.968 1.00 2.43 N ATOM 514 CA SER A 129 21.844 9.092 -9.144 1.00 13.01 C ATOM 515 C SER A 129 23.226 8.871 -9.751 1.00 51.33 C ATOM 516 O SER A 129 23.976 7.998 -9.313 1.00 65.42 O ATOM 517 CB SER A 129 20.775 8.457 -10.035 1.00 52.24 C ATOM 518 OG SER A 129 19.474 8.814 -9.605 1.00 13.14 O ATOM 0 H SER A 129 21.311 11.002 -9.823 1.00 2.43 H new ATOM 0 HA SER A 129 21.817 8.618 -8.163 1.00 13.01 H new ATOM 0 HB2 SER A 129 20.921 8.777 -11.067 1.00 52.24 H new ATOM 0 HB3 SER A 129 20.882 7.372 -10.019 1.00 52.24 H new ATOM 0 HG SER A 129 18.809 8.397 -10.192 1.00 13.14 H new ATOM 524 N LEU A 130 23.555 9.668 -10.761 1.00 21.30 N ATOM 525 CA LEU A 130 24.847 9.561 -11.430 1.00 62.42 C ATOM 526 C LEU A 130 25.003 8.199 -12.099 1.00 44.01 C ATOM 527 O LEU A 130 26.118 7.714 -12.289 1.00 42.11 O ATOM 528 CB LEU A 130 25.983 9.783 -10.429 1.00 14.35 C ATOM 529 CG LEU A 130 25.842 11.000 -9.514 1.00 15.24 C ATOM 530 CD1 LEU A 130 26.744 10.860 -8.297 1.00 54.05 C ATOM 531 CD2 LEU A 130 26.162 12.279 -10.274 1.00 23.33 C ATOM 0 H LEU A 130 22.945 10.395 -11.135 1.00 21.30 H new ATOM 0 HA LEU A 130 24.894 10.331 -12.200 1.00 62.42 H new ATOM 0 HB2 LEU A 130 26.071 8.893 -9.806 1.00 14.35 H new ATOM 0 HB3 LEU A 130 26.916 9.877 -10.984 1.00 14.35 H new ATOM 0 HG LEU A 130 24.809 11.055 -9.170 1.00 15.24 H new ATOM 0 HD11 LEU A 130 26.630 11.735 -7.657 1.00 54.05 H new ATOM 0 HD12 LEU A 130 26.467 9.965 -7.740 1.00 54.05 H new ATOM 0 HD13 LEU A 130 27.782 10.779 -8.621 1.00 54.05 H new ATOM 0 HD21 LEU A 130 26.056 13.135 -9.607 1.00 23.33 H new ATOM 0 HD22 LEU A 130 27.185 12.234 -10.647 1.00 23.33 H new ATOM 0 HD23 LEU A 130 25.474 12.386 -11.113 1.00 23.33 H new ATOM 543 N ASN A 131 23.878 7.588 -12.456 1.00 33.04 N ATOM 544 CA ASN A 131 23.889 6.282 -13.105 1.00 25.22 C ATOM 545 C ASN A 131 23.194 6.343 -14.461 1.00 72.34 C ATOM 546 O ASN A 131 23.592 5.663 -15.407 1.00 24.31 O ATOM 547 CB ASN A 131 23.207 5.241 -12.215 1.00 63.21 C ATOM 548 CG ASN A 131 24.150 4.657 -11.182 1.00 21.02 C ATOM 549 OD1 ASN A 131 25.185 4.084 -11.523 1.00 3.40 O ATOM 550 ND2 ASN A 131 23.795 4.799 -9.910 1.00 12.00 N ATOM 0 H ASN A 131 22.947 7.977 -12.307 1.00 33.04 H new ATOM 0 HA ASN A 131 24.928 5.991 -13.262 1.00 25.22 H new ATOM 0 HB2 ASN A 131 22.358 5.700 -11.709 1.00 63.21 H new ATOM 0 HB3 ASN A 131 22.812 4.438 -12.837 1.00 63.21 H new ATOM 0 HD21 ASN A 131 24.389 4.426 -9.170 1.00 12.00 H new ATOM 0 HD22 ASN A 131 22.928 5.281 -9.673 1.00 12.00 H new ATOM 557 N CYS A 132 22.152 7.163 -14.549 1.00 11.21 N ATOM 558 CA CYS A 132 21.400 7.314 -15.789 1.00 12.15 C ATOM 559 C CYS A 132 22.298 7.826 -16.912 1.00 22.53 C ATOM 560 O CYS A 132 21.881 8.649 -17.727 1.00 3.14 O ATOM 561 CB CYS A 132 20.226 8.274 -15.584 1.00 33.11 C ATOM 562 SG CYS A 132 18.897 8.097 -16.817 1.00 54.43 S ATOM 0 H CYS A 132 21.809 7.733 -13.776 1.00 11.21 H new ATOM 0 HA CYS A 132 21.016 6.334 -16.073 1.00 12.15 H new ATOM 0 HB2 CYS A 132 19.809 8.113 -14.590 1.00 33.11 H new ATOM 0 HB3 CYS A 132 20.599 9.298 -15.612 1.00 33.11 H new TER 567 CYS A 132