USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 96 THR OG1 : rot -36:sc= 0.0621! USER MOD Single : A 98 ASN : amide:sc= -0.0506 K(o=-0.051,f=-1.1) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 18:sc= -3.21! 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 150:sc= 0 USER MOD Single : A 129 SER OG : rot 170:sc= 0.784 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.154 21.153 -20.357 1.00 64.12 N ATOM 2 CA CYS A 93 8.427 20.835 -18.961 1.00 11.51 C ATOM 3 C CYS A 93 9.869 21.172 -18.597 1.00 44.41 C ATOM 4 O CYS A 93 10.632 21.667 -19.428 1.00 53.54 O ATOM 5 CB CYS A 93 8.155 19.353 -18.691 1.00 42.44 C ATOM 6 SG CYS A 93 8.890 18.227 -19.919 1.00 52.22 S ATOM 0 HA CYS A 93 7.764 21.439 -18.341 1.00 11.51 H new ATOM 0 HB2 CYS A 93 8.540 19.098 -17.704 1.00 42.44 H new ATOM 0 HB3 CYS A 93 7.077 19.191 -18.665 1.00 42.44 H new ATOM 11 N VAL A 94 10.239 20.902 -17.349 1.00 71.11 N ATOM 12 CA VAL A 94 11.590 21.176 -16.875 1.00 52.45 C ATOM 13 C VAL A 94 12.556 20.078 -17.306 1.00 45.20 C ATOM 14 O VAL A 94 12.309 18.895 -17.078 1.00 14.12 O ATOM 15 CB VAL A 94 11.631 21.308 -15.342 1.00 5.23 C ATOM 16 CG1 VAL A 94 13.010 20.948 -14.811 1.00 31.23 C ATOM 17 CG2 VAL A 94 11.239 22.715 -14.918 1.00 5.43 C ATOM 0 H VAL A 94 9.621 20.493 -16.648 1.00 71.11 H new ATOM 0 HA VAL A 94 11.897 22.122 -17.321 1.00 52.45 H new ATOM 0 HB VAL A 94 10.910 20.610 -14.916 1.00 5.23 H new ATOM 0 HG11 VAL A 94 13.019 21.047 -13.726 1.00 31.23 H new ATOM 0 HG12 VAL A 94 13.248 19.920 -15.083 1.00 31.23 H new ATOM 0 HG13 VAL A 94 13.753 21.619 -15.243 1.00 31.23 H new ATOM 0 HG21 VAL A 94 11.273 22.790 -13.831 1.00 5.43 H new ATOM 0 HG22 VAL A 94 11.934 23.433 -15.354 1.00 5.43 H new ATOM 0 HG23 VAL A 94 10.229 22.931 -15.265 1.00 5.43 H new ATOM 27 N ALA A 95 13.659 20.479 -17.929 1.00 71.12 N ATOM 28 CA ALA A 95 14.665 19.529 -18.390 1.00 10.21 C ATOM 29 C ALA A 95 15.456 18.956 -17.219 1.00 13.41 C ATOM 30 O ALA A 95 15.358 17.768 -16.911 1.00 14.23 O ATOM 31 CB ALA A 95 15.601 20.195 -19.387 1.00 23.53 C ATOM 0 H ALA A 95 13.879 21.455 -18.126 1.00 71.12 H new ATOM 0 HA ALA A 95 14.152 18.705 -18.885 1.00 10.21 H new ATOM 0 HB1 ALA A 95 16.347 19.475 -19.723 1.00 23.53 H new ATOM 0 HB2 ALA A 95 15.028 20.550 -20.243 1.00 23.53 H new ATOM 0 HB3 ALA A 95 16.100 21.038 -18.910 1.00 23.53 H new ATOM 37 N THR A 96 16.242 19.809 -16.568 1.00 11.01 N ATOM 38 CA THR A 96 17.051 19.387 -15.432 1.00 3.10 C ATOM 39 C THR A 96 17.520 20.586 -14.616 1.00 3.15 C ATOM 40 O THR A 96 17.736 21.670 -15.157 1.00 43.43 O ATOM 41 CB THR A 96 18.280 18.578 -15.887 1.00 10.02 C ATOM 42 OG1 THR A 96 17.916 17.694 -16.953 1.00 43.34 O ATOM 43 CG2 THR A 96 18.858 17.775 -14.732 1.00 35.34 C ATOM 0 H THR A 96 16.335 20.796 -16.809 1.00 11.01 H new ATOM 0 HA THR A 96 16.418 18.753 -14.811 1.00 3.10 H new ATOM 0 HB THR A 96 19.039 19.278 -16.237 1.00 10.02 H new ATOM 0 HG1 THR A 96 17.007 17.360 -16.805 1.00 43.34 H new ATOM 0 HG21 THR A 96 19.725 17.212 -15.078 1.00 35.34 H new ATOM 0 HG22 THR A 96 19.160 18.452 -13.933 1.00 35.34 H new ATOM 0 HG23 THR A 96 18.104 17.084 -14.356 1.00 35.34 H new ATOM 51 N ARG A 97 17.678 20.384 -13.312 1.00 41.50 N ATOM 52 CA ARG A 97 18.121 21.450 -12.421 1.00 22.23 C ATOM 53 C ARG A 97 17.488 22.782 -12.810 1.00 40.31 C ATOM 54 O ARG A 97 18.143 23.822 -12.786 1.00 43.32 O ATOM 55 CB ARG A 97 19.646 21.569 -12.455 1.00 32.21 C ATOM 56 CG ARG A 97 20.187 22.099 -13.772 1.00 74.20 C ATOM 57 CD ARG A 97 20.576 20.967 -14.710 1.00 62.21 C ATOM 58 NE ARG A 97 20.389 21.328 -16.112 1.00 42.44 N ATOM 59 CZ ARG A 97 21.005 20.717 -17.118 1.00 72.52 C ATOM 60 NH1 ARG A 97 21.843 19.718 -16.877 1.00 33.11 N ATOM 61 NH2 ARG A 97 20.784 21.104 -18.367 1.00 55.24 N ATOM 0 H ARG A 97 17.506 19.492 -12.849 1.00 41.50 H new ATOM 0 HA ARG A 97 17.804 21.199 -11.409 1.00 22.23 H new ATOM 0 HB2 ARG A 97 19.968 22.227 -11.648 1.00 32.21 H new ATOM 0 HB3 ARG A 97 20.083 20.589 -12.261 1.00 32.21 H new ATOM 0 HG2 ARG A 97 19.435 22.726 -14.250 1.00 74.20 H new ATOM 0 HG3 ARG A 97 21.055 22.730 -13.582 1.00 74.20 H new ATOM 0 HD2 ARG A 97 21.619 20.699 -14.541 1.00 62.21 H new ATOM 0 HD3 ARG A 97 19.979 20.085 -14.480 1.00 62.21 H new ATOM 0 HE ARG A 97 19.750 22.092 -16.331 1.00 42.44 H new ATOM 0 HH11 ARG A 97 22.016 19.417 -15.918 1.00 33.11 H new ATOM 0 HH12 ARG A 97 22.315 19.250 -17.651 1.00 33.11 H new ATOM 0 HH21 ARG A 97 20.140 21.872 -18.557 1.00 55.24 H new ATOM 0 HH22 ARG A 97 21.258 20.634 -19.138 1.00 55.24 H new ATOM 75 N ASN A 98 16.208 22.741 -13.168 1.00 32.23 N ATOM 76 CA ASN A 98 15.486 23.944 -13.562 1.00 42.55 C ATOM 77 C ASN A 98 14.519 24.383 -12.466 1.00 42.24 C ATOM 78 O ASN A 98 14.570 25.521 -11.998 1.00 62.44 O ATOM 79 CB ASN A 98 14.721 23.702 -14.866 1.00 10.04 C ATOM 80 CG ASN A 98 14.697 24.927 -15.759 1.00 31.24 C ATOM 81 OD1 ASN A 98 14.958 26.042 -15.308 1.00 2.12 O ATOM 82 ND2 ASN A 98 14.382 24.724 -17.033 1.00 15.42 N ATOM 0 H ASN A 98 15.650 21.887 -13.193 1.00 32.23 H new ATOM 0 HA ASN A 98 16.215 24.739 -13.718 1.00 42.55 H new ATOM 0 HB2 ASN A 98 15.180 22.873 -15.404 1.00 10.04 H new ATOM 0 HB3 ASN A 98 13.698 23.405 -14.634 1.00 10.04 H new ATOM 0 HD21 ASN A 98 14.349 25.510 -17.682 1.00 15.42 H new ATOM 0 HD22 ASN A 98 14.173 23.782 -17.363 1.00 15.42 H new ATOM 89 N SER A 99 13.639 23.472 -12.062 1.00 5.22 N ATOM 90 CA SER A 99 12.658 23.766 -11.023 1.00 63.11 C ATOM 91 C SER A 99 11.935 22.496 -10.586 1.00 33.32 C ATOM 92 O SER A 99 11.712 21.587 -11.387 1.00 1.51 O ATOM 93 CB SER A 99 11.646 24.796 -11.525 1.00 52.22 C ATOM 94 OG SER A 99 10.935 25.379 -10.447 1.00 52.32 O ATOM 0 H SER A 99 13.585 22.525 -12.438 1.00 5.22 H new ATOM 0 HA SER A 99 13.187 24.177 -10.163 1.00 63.11 H new ATOM 0 HB2 SER A 99 12.163 25.574 -12.087 1.00 52.22 H new ATOM 0 HB3 SER A 99 10.946 24.319 -12.211 1.00 52.22 H new ATOM 0 HG SER A 99 10.295 26.035 -10.794 1.00 52.32 H new ATOM 100 N CYS A 100 11.570 22.441 -9.310 1.00 31.35 N ATOM 101 CA CYS A 100 10.871 21.284 -8.763 1.00 61.22 C ATOM 102 C CYS A 100 9.382 21.573 -8.603 1.00 34.14 C ATOM 103 O CYS A 100 8.846 22.493 -9.222 1.00 72.21 O ATOM 104 CB CYS A 100 11.474 20.889 -7.413 1.00 74.34 C ATOM 105 SG CYS A 100 11.751 19.099 -7.218 1.00 4.13 S ATOM 0 H CYS A 100 11.747 23.185 -8.635 1.00 31.35 H new ATOM 0 HA CYS A 100 10.989 20.456 -9.462 1.00 61.22 H new ATOM 0 HB2 CYS A 100 12.423 21.409 -7.285 1.00 74.34 H new ATOM 0 HB3 CYS A 100 10.813 21.232 -6.617 1.00 74.34 H new ATOM 110 N LYS A 101 8.718 20.783 -7.767 1.00 33.45 N ATOM 111 CA LYS A 101 7.291 20.952 -7.521 1.00 50.04 C ATOM 112 C LYS A 101 6.485 20.679 -8.787 1.00 61.14 C ATOM 113 O LYS A 101 6.065 21.596 -9.495 1.00 33.13 O ATOM 114 CB LYS A 101 7.004 22.370 -7.018 1.00 34.43 C ATOM 115 CG LYS A 101 6.816 22.453 -5.513 1.00 42.54 C ATOM 116 CD LYS A 101 8.141 22.335 -4.778 1.00 73.30 C ATOM 117 CE LYS A 101 8.414 20.902 -4.348 1.00 60.44 C ATOM 118 NZ LYS A 101 8.164 20.702 -2.894 1.00 32.41 N ATOM 0 H LYS A 101 9.147 20.017 -7.247 1.00 33.45 H new ATOM 0 HA LYS A 101 6.991 20.234 -6.758 1.00 50.04 H new ATOM 0 HB2 LYS A 101 7.826 23.024 -7.310 1.00 34.43 H new ATOM 0 HB3 LYS A 101 6.107 22.747 -7.509 1.00 34.43 H new ATOM 0 HG2 LYS A 101 6.340 23.399 -5.257 1.00 42.54 H new ATOM 0 HG3 LYS A 101 6.145 21.659 -5.185 1.00 42.54 H new ATOM 0 HD2 LYS A 101 8.948 22.683 -5.423 1.00 73.30 H new ATOM 0 HD3 LYS A 101 8.131 22.983 -3.902 1.00 73.30 H new ATOM 0 HE2 LYS A 101 7.782 20.224 -4.922 1.00 60.44 H new ATOM 0 HE3 LYS A 101 9.448 20.645 -4.577 1.00 60.44 H new ATOM 0 HZ1 LYS A 101 8.361 19.713 -2.641 1.00 32.41 H new ATOM 0 HZ2 LYS A 101 8.785 21.330 -2.345 1.00 32.41 H new ATOM 0 HZ3 LYS A 101 7.171 20.923 -2.679 1.00 32.41 H new ATOM 132 N PRO A 102 6.262 19.389 -9.082 1.00 43.21 N ATOM 133 CA PRO A 102 5.503 18.966 -10.262 1.00 45.23 C ATOM 134 C PRO A 102 4.019 19.298 -10.147 1.00 63.15 C ATOM 135 O PRO A 102 3.189 18.410 -9.960 1.00 20.10 O ATOM 136 CB PRO A 102 5.713 17.450 -10.294 1.00 54.31 C ATOM 137 CG PRO A 102 5.996 17.078 -8.879 1.00 53.24 C ATOM 138 CD PRO A 102 6.734 18.245 -8.284 1.00 51.50 C ATOM 0 HA PRO A 102 5.837 19.475 -11.166 1.00 45.23 H new ATOM 0 HB2 PRO A 102 4.829 16.935 -10.670 1.00 54.31 H new ATOM 0 HB3 PRO A 102 6.542 17.179 -10.948 1.00 54.31 H new ATOM 0 HG2 PRO A 102 5.072 16.882 -8.335 1.00 53.24 H new ATOM 0 HG3 PRO A 102 6.596 16.169 -8.827 1.00 53.24 H new ATOM 0 HD2 PRO A 102 6.502 18.370 -7.226 1.00 51.50 H new ATOM 0 HD3 PRO A 102 7.814 18.119 -8.361 1.00 51.50 H new ATOM 146 N ALA A 103 3.695 20.581 -10.262 1.00 54.22 N ATOM 147 CA ALA A 103 2.309 21.029 -10.173 1.00 23.12 C ATOM 148 C ALA A 103 1.826 21.584 -11.509 1.00 11.31 C ATOM 149 O ALA A 103 0.695 21.333 -11.924 1.00 31.55 O ATOM 150 CB ALA A 103 2.162 22.076 -9.080 1.00 4.25 C ATOM 0 H ALA A 103 4.371 21.329 -10.417 1.00 54.22 H new ATOM 0 HA ALA A 103 1.690 20.168 -9.921 1.00 23.12 H new ATOM 0 HB1 ALA A 103 1.123 22.401 -9.025 1.00 4.25 H new ATOM 0 HB2 ALA A 103 2.459 21.647 -8.123 1.00 4.25 H new ATOM 0 HB3 ALA A 103 2.798 22.931 -9.308 1.00 4.25 H new ATOM 156 N ALA A 104 2.689 22.343 -12.176 1.00 72.50 N ATOM 157 CA ALA A 104 2.350 22.933 -13.466 1.00 11.14 C ATOM 158 C ALA A 104 2.814 22.045 -14.615 1.00 4.20 C ATOM 159 O ALA A 104 2.677 22.405 -15.784 1.00 32.13 O ATOM 160 CB ALA A 104 2.961 24.321 -13.587 1.00 74.00 C ATOM 0 H ALA A 104 3.628 22.564 -11.845 1.00 72.50 H new ATOM 0 HA ALA A 104 1.265 23.019 -13.525 1.00 11.14 H new ATOM 0 HB1 ALA A 104 2.700 24.750 -14.554 1.00 74.00 H new ATOM 0 HB2 ALA A 104 2.576 24.959 -12.791 1.00 74.00 H new ATOM 0 HB3 ALA A 104 4.045 24.250 -13.502 1.00 74.00 H new ATOM 166 N ALA A 105 3.366 20.885 -14.275 1.00 34.11 N ATOM 167 CA ALA A 105 3.849 19.945 -15.279 1.00 62.12 C ATOM 168 C ALA A 105 5.213 20.368 -15.815 1.00 13.21 C ATOM 169 O ALA A 105 5.391 20.537 -17.020 1.00 64.53 O ATOM 170 CB ALA A 105 2.846 19.827 -16.417 1.00 61.04 C ATOM 0 H ALA A 105 3.490 20.574 -13.312 1.00 34.11 H new ATOM 0 HA ALA A 105 3.960 18.970 -14.805 1.00 62.12 H new ATOM 0 HB1 ALA A 105 3.220 19.122 -17.160 1.00 61.04 H new ATOM 0 HB2 ALA A 105 1.893 19.471 -16.026 1.00 61.04 H new ATOM 0 HB3 ALA A 105 2.706 20.803 -16.882 1.00 61.04 H new ATOM 176 N ALA A 106 6.172 20.538 -14.911 1.00 32.25 N ATOM 177 CA ALA A 106 7.519 20.940 -15.293 1.00 23.04 C ATOM 178 C ALA A 106 8.565 20.264 -14.411 1.00 75.03 C ATOM 179 O ALA A 106 8.998 20.825 -13.404 1.00 61.32 O ATOM 180 CB ALA A 106 7.661 22.453 -15.217 1.00 61.33 C ATOM 0 H ALA A 106 6.040 20.403 -13.909 1.00 32.25 H new ATOM 0 HA ALA A 106 7.688 20.622 -16.322 1.00 23.04 H new ATOM 0 HB1 ALA A 106 8.673 22.738 -15.505 1.00 61.33 H new ATOM 0 HB2 ALA A 106 6.945 22.920 -15.894 1.00 61.33 H new ATOM 0 HB3 ALA A 106 7.467 22.786 -14.197 1.00 61.33 H new ATOM 186 N CYS A 107 8.965 19.056 -14.795 1.00 44.35 N ATOM 187 CA CYS A 107 9.958 18.304 -14.039 1.00 61.00 C ATOM 188 C CYS A 107 10.231 16.953 -14.695 1.00 62.22 C ATOM 189 O CYS A 107 10.493 15.961 -14.014 1.00 13.32 O ATOM 190 CB CYS A 107 9.485 18.098 -12.599 1.00 21.54 C ATOM 191 SG CYS A 107 10.770 18.400 -11.343 1.00 54.54 S ATOM 0 H CYS A 107 8.616 18.578 -15.626 1.00 44.35 H new ATOM 0 HA CYS A 107 10.884 18.879 -14.031 1.00 61.00 H new ATOM 0 HB2 CYS A 107 8.641 18.761 -12.407 1.00 21.54 H new ATOM 0 HB3 CYS A 107 9.119 17.077 -12.491 1.00 21.54 H new ATOM 196 N CYS A 108 10.171 16.923 -16.022 1.00 14.11 N ATOM 197 CA CYS A 108 10.410 15.696 -16.771 1.00 63.14 C ATOM 198 C CYS A 108 11.902 15.380 -16.834 1.00 24.31 C ATOM 199 O CYS A 108 12.685 16.140 -17.404 1.00 50.23 O ATOM 200 CB CYS A 108 9.844 15.819 -18.188 1.00 3.22 C ATOM 201 SG CYS A 108 10.442 17.276 -19.103 1.00 14.33 S ATOM 0 H CYS A 108 9.959 17.735 -16.601 1.00 14.11 H new ATOM 0 HA CYS A 108 9.904 14.880 -16.254 1.00 63.14 H new ATOM 0 HB2 CYS A 108 10.100 14.920 -18.749 1.00 3.22 H new ATOM 0 HB3 CYS A 108 8.756 15.860 -18.131 1.00 3.22 H new ATOM 206 N ASP A 109 12.288 14.253 -16.244 1.00 52.44 N ATOM 207 CA ASP A 109 13.685 13.836 -16.234 1.00 22.24 C ATOM 208 C ASP A 109 13.831 12.442 -15.632 1.00 30.45 C ATOM 209 O ASP A 109 13.524 12.209 -14.462 1.00 3.33 O ATOM 210 CB ASP A 109 14.533 14.836 -15.446 1.00 45.33 C ATOM 211 CG ASP A 109 16.015 14.527 -15.525 1.00 21.44 C ATOM 212 OD1 ASP A 109 16.374 13.492 -16.125 1.00 23.04 O ATOM 213 OD2 ASP A 109 16.816 15.319 -14.985 1.00 52.05 O ATOM 0 H ASP A 109 11.653 13.613 -15.767 1.00 52.44 H new ATOM 0 HA ASP A 109 14.037 13.806 -17.265 1.00 22.24 H new ATOM 0 HB2 ASP A 109 14.353 15.841 -15.828 1.00 45.33 H new ATOM 0 HB3 ASP A 109 14.219 14.831 -14.402 1.00 45.33 H new ATOM 218 N PRO A 110 14.309 11.492 -16.447 1.00 74.54 N ATOM 219 CA PRO A 110 14.505 10.104 -16.017 1.00 64.50 C ATOM 220 C PRO A 110 15.651 9.963 -15.021 1.00 61.30 C ATOM 221 O PRO A 110 16.725 10.535 -15.209 1.00 72.15 O ATOM 222 CB PRO A 110 14.837 9.372 -17.321 1.00 52.21 C ATOM 223 CG PRO A 110 15.406 10.422 -18.210 1.00 73.35 C ATOM 224 CD PRO A 110 14.695 11.697 -17.854 1.00 43.31 C ATOM 0 HA PRO A 110 13.629 9.709 -15.502 1.00 64.50 H new ATOM 0 HB2 PRO A 110 15.552 8.566 -17.152 1.00 52.21 H new ATOM 0 HB3 PRO A 110 13.947 8.921 -17.760 1.00 52.21 H new ATOM 0 HG2 PRO A 110 16.481 10.520 -18.059 1.00 73.35 H new ATOM 0 HG3 PRO A 110 15.253 10.170 -19.259 1.00 73.35 H new ATOM 0 HD2 PRO A 110 15.344 12.565 -17.970 1.00 43.31 H new ATOM 0 HD3 PRO A 110 13.825 11.863 -18.489 1.00 43.31 H new ATOM 232 N CYS A 111 15.417 9.196 -13.961 1.00 73.12 N ATOM 233 CA CYS A 111 16.429 8.978 -12.935 1.00 45.53 C ATOM 234 C CYS A 111 16.711 10.268 -12.169 1.00 21.33 C ATOM 235 O CYS A 111 17.707 10.371 -11.452 1.00 71.43 O ATOM 236 CB CYS A 111 17.720 8.455 -13.566 1.00 24.40 C ATOM 237 SG CYS A 111 18.781 7.516 -12.419 1.00 54.13 S ATOM 0 H CYS A 111 14.534 8.715 -13.791 1.00 73.12 H new ATOM 0 HA CYS A 111 16.048 8.235 -12.235 1.00 45.53 H new ATOM 0 HB2 CYS A 111 17.466 7.818 -14.413 1.00 24.40 H new ATOM 0 HB3 CYS A 111 18.287 9.298 -13.960 1.00 24.40 H new ATOM 242 N ALA A 112 15.827 11.247 -12.324 1.00 4.30 N ATOM 243 CA ALA A 112 15.980 12.528 -11.646 1.00 1.41 C ATOM 244 C ALA A 112 15.311 12.506 -10.275 1.00 52.44 C ATOM 245 O ALA A 112 14.497 11.629 -9.985 1.00 51.35 O ATOM 246 CB ALA A 112 15.405 13.650 -12.499 1.00 14.21 C ATOM 0 H ALA A 112 14.997 11.178 -12.913 1.00 4.30 H new ATOM 0 HA ALA A 112 17.045 12.709 -11.499 1.00 1.41 H new ATOM 0 HB1 ALA A 112 15.526 14.601 -11.980 1.00 14.21 H new ATOM 0 HB2 ALA A 112 15.931 13.688 -13.453 1.00 14.21 H new ATOM 0 HB3 ALA A 112 14.345 13.466 -12.676 1.00 14.21 H new ATOM 252 N SER A 113 15.659 13.477 -9.436 1.00 55.12 N ATOM 253 CA SER A 113 15.094 13.567 -8.095 1.00 13.11 C ATOM 254 C SER A 113 15.076 15.012 -7.608 1.00 51.54 C ATOM 255 O SER A 113 15.947 15.809 -7.959 1.00 0.24 O ATOM 256 CB SER A 113 15.895 12.699 -7.123 1.00 12.01 C ATOM 257 OG SER A 113 17.288 12.889 -7.300 1.00 31.55 O ATOM 0 H SER A 113 16.329 14.212 -9.662 1.00 55.12 H new ATOM 0 HA SER A 113 14.067 13.204 -8.135 1.00 13.11 H new ATOM 0 HB2 SER A 113 15.618 12.945 -6.098 1.00 12.01 H new ATOM 0 HB3 SER A 113 15.645 11.649 -7.277 1.00 12.01 H new ATOM 0 HG SER A 113 17.444 13.720 -7.796 1.00 31.55 H new ATOM 263 N CYS A 114 14.076 15.345 -6.798 1.00 64.22 N ATOM 264 CA CYS A 114 13.942 16.694 -6.262 1.00 72.44 C ATOM 265 C CYS A 114 15.108 17.030 -5.337 1.00 12.13 C ATOM 266 O CYS A 114 15.178 16.543 -4.208 1.00 15.13 O ATOM 267 CB CYS A 114 12.619 16.836 -5.507 1.00 1.31 C ATOM 268 SG CYS A 114 12.032 18.554 -5.353 1.00 22.13 S ATOM 0 H CYS A 114 13.346 14.698 -6.499 1.00 64.22 H new ATOM 0 HA CYS A 114 13.952 17.393 -7.098 1.00 72.44 H new ATOM 0 HB2 CYS A 114 11.857 16.247 -6.017 1.00 1.31 H new ATOM 0 HB3 CYS A 114 12.735 16.412 -4.510 1.00 1.31 H new ATOM 273 N TYR A 115 16.019 17.865 -5.822 1.00 25.23 N ATOM 274 CA TYR A 115 17.183 18.264 -5.039 1.00 65.34 C ATOM 275 C TYR A 115 17.092 19.734 -4.639 1.00 64.22 C ATOM 276 O TYR A 115 16.571 20.562 -5.385 1.00 71.33 O ATOM 277 CB TYR A 115 18.467 18.020 -5.834 1.00 71.33 C ATOM 278 CG TYR A 115 19.659 18.788 -5.310 1.00 64.12 C ATOM 279 CD1 TYR A 115 20.371 18.336 -4.206 1.00 62.42 C ATOM 280 CD2 TYR A 115 20.073 19.966 -5.920 1.00 5.33 C ATOM 281 CE1 TYR A 115 21.460 19.036 -3.723 1.00 22.53 C ATOM 282 CE2 TYR A 115 21.163 20.670 -5.444 1.00 42.33 C ATOM 283 CZ TYR A 115 21.853 20.201 -4.346 1.00 40.15 C ATOM 284 OH TYR A 115 22.938 20.902 -3.869 1.00 72.43 O ATOM 0 H TYR A 115 15.975 18.279 -6.753 1.00 25.23 H new ATOM 0 HA TYR A 115 17.204 17.659 -4.132 1.00 65.34 H new ATOM 0 HB2 TYR A 115 18.697 16.955 -5.819 1.00 71.33 H new ATOM 0 HB3 TYR A 115 18.297 18.295 -6.875 1.00 71.33 H new ATOM 0 HD1 TYR A 115 20.068 17.422 -3.717 1.00 62.42 H new ATOM 0 HD2 TYR A 115 19.535 20.337 -6.779 1.00 5.33 H new ATOM 0 HE1 TYR A 115 22.001 18.672 -2.862 1.00 22.53 H new ATOM 0 HE2 TYR A 115 21.473 21.583 -5.930 1.00 42.33 H new ATOM 0 HH TYR A 115 23.082 21.698 -4.422 1.00 72.43 H new ATOM 294 N CYS A 116 17.604 20.050 -3.454 1.00 11.14 N ATOM 295 CA CYS A 116 17.581 21.419 -2.952 1.00 24.34 C ATOM 296 C CYS A 116 18.994 21.906 -2.640 1.00 11.25 C ATOM 297 O CYS A 116 19.902 21.107 -2.414 1.00 61.10 O ATOM 298 CB CYS A 116 16.711 21.509 -1.697 1.00 54.53 C ATOM 299 SG CYS A 116 15.009 20.902 -1.929 1.00 51.30 S ATOM 0 H CYS A 116 18.040 19.377 -2.824 1.00 11.14 H new ATOM 0 HA CYS A 116 17.157 22.058 -3.727 1.00 24.34 H new ATOM 0 HB2 CYS A 116 17.184 20.938 -0.898 1.00 54.53 H new ATOM 0 HB3 CYS A 116 16.674 22.547 -1.367 1.00 54.53 H new ATOM 304 N ARG A 117 19.170 23.224 -2.629 1.00 15.01 N ATOM 305 CA ARG A 117 20.470 23.819 -2.346 1.00 34.32 C ATOM 306 C ARG A 117 20.428 24.630 -1.054 1.00 32.51 C ATOM 307 O ARG A 117 19.441 24.592 -0.317 1.00 44.25 O ATOM 308 CB ARG A 117 20.909 24.712 -3.508 1.00 31.13 C ATOM 309 CG ARG A 117 19.751 25.354 -4.254 1.00 3.44 C ATOM 310 CD ARG A 117 18.978 26.313 -3.363 1.00 10.35 C ATOM 311 NE ARG A 117 18.444 27.447 -4.112 1.00 13.43 N ATOM 312 CZ ARG A 117 19.202 28.400 -4.642 1.00 22.21 C ATOM 313 NH1 ARG A 117 20.520 28.355 -4.506 1.00 21.11 N ATOM 314 NH2 ARG A 117 18.642 29.400 -5.310 1.00 63.21 N ATOM 0 H ARG A 117 18.428 23.899 -2.813 1.00 15.01 H new ATOM 0 HA ARG A 117 21.192 23.012 -2.224 1.00 34.32 H new ATOM 0 HB2 ARG A 117 21.563 25.496 -3.126 1.00 31.13 H new ATOM 0 HB3 ARG A 117 21.497 24.119 -4.208 1.00 31.13 H new ATOM 0 HG2 ARG A 117 20.130 25.890 -5.125 1.00 3.44 H new ATOM 0 HG3 ARG A 117 19.080 24.578 -4.624 1.00 3.44 H new ATOM 0 HD2 ARG A 117 18.159 25.779 -2.881 1.00 10.35 H new ATOM 0 HD3 ARG A 117 19.631 26.678 -2.570 1.00 10.35 H new ATOM 0 HE ARG A 117 17.433 27.511 -4.235 1.00 13.43 H new ATOM 0 HH11 ARG A 117 20.954 27.587 -3.993 1.00 21.11 H new ATOM 0 HH12 ARG A 117 21.100 29.088 -4.914 1.00 21.11 H new ATOM 0 HH21 ARG A 117 17.628 29.437 -5.417 1.00 63.21 H new ATOM 0 HH22 ARG A 117 19.225 30.131 -5.717 1.00 63.21 H new ATOM 328 N PHE A 118 21.504 25.361 -0.785 1.00 20.22 N ATOM 329 CA PHE A 118 21.590 26.179 0.419 1.00 23.54 C ATOM 330 C PHE A 118 20.267 26.885 0.692 1.00 13.22 C ATOM 331 O PHE A 118 19.686 26.746 1.770 1.00 70.55 O ATOM 332 CB PHE A 118 22.713 27.211 0.280 1.00 33.33 C ATOM 333 CG PHE A 118 24.088 26.607 0.308 1.00 74.24 C ATOM 334 CD1 PHE A 118 24.654 26.193 1.503 1.00 53.04 C ATOM 335 CD2 PHE A 118 24.815 26.453 -0.862 1.00 52.03 C ATOM 336 CE1 PHE A 118 25.920 25.639 1.530 1.00 12.12 C ATOM 337 CE2 PHE A 118 26.081 25.899 -0.842 1.00 14.43 C ATOM 338 CZ PHE A 118 26.634 25.490 0.357 1.00 73.00 C ATOM 0 H PHE A 118 22.328 25.404 -1.384 1.00 20.22 H new ATOM 0 HA PHE A 118 21.811 25.522 1.260 1.00 23.54 H new ATOM 0 HB2 PHE A 118 22.582 27.755 -0.656 1.00 33.33 H new ATOM 0 HB3 PHE A 118 22.628 27.940 1.086 1.00 33.33 H new ATOM 0 HD1 PHE A 118 24.100 26.304 2.423 1.00 53.04 H new ATOM 0 HD2 PHE A 118 24.387 26.770 -1.801 1.00 52.03 H new ATOM 0 HE1 PHE A 118 26.351 25.323 2.468 1.00 12.12 H new ATOM 0 HE2 PHE A 118 26.637 25.786 -1.761 1.00 14.43 H new ATOM 0 HZ PHE A 118 27.622 25.055 0.377 1.00 73.00 H new ATOM 348 N PHE A 119 19.793 27.645 -0.290 1.00 25.54 N ATOM 349 CA PHE A 119 18.538 28.376 -0.156 1.00 22.53 C ATOM 350 C PHE A 119 17.435 27.467 0.378 1.00 30.20 C ATOM 351 O PHE A 119 16.694 27.841 1.286 1.00 74.11 O ATOM 352 CB PHE A 119 18.121 28.966 -1.504 1.00 21.04 C ATOM 353 CG PHE A 119 17.437 30.298 -1.388 1.00 74.42 C ATOM 354 CD1 PHE A 119 18.049 31.352 -0.730 1.00 31.21 C ATOM 355 CD2 PHE A 119 16.179 30.496 -1.938 1.00 22.10 C ATOM 356 CE1 PHE A 119 17.422 32.579 -0.622 1.00 53.34 C ATOM 357 CE2 PHE A 119 15.548 31.721 -1.834 1.00 21.22 C ATOM 358 CZ PHE A 119 16.170 32.763 -1.174 1.00 53.24 C ATOM 0 H PHE A 119 20.260 27.771 -1.188 1.00 25.54 H new ATOM 0 HA PHE A 119 18.692 29.187 0.555 1.00 22.53 H new ATOM 0 HB2 PHE A 119 19.004 29.073 -2.134 1.00 21.04 H new ATOM 0 HB3 PHE A 119 17.454 28.266 -2.007 1.00 21.04 H new ATOM 0 HD1 PHE A 119 19.028 31.213 -0.296 1.00 31.21 H new ATOM 0 HD2 PHE A 119 15.687 29.684 -2.453 1.00 22.10 H new ATOM 0 HE1 PHE A 119 17.911 33.393 -0.107 1.00 53.34 H new ATOM 0 HE2 PHE A 119 14.570 31.864 -2.268 1.00 21.22 H new ATOM 0 HZ PHE A 119 15.677 33.720 -1.090 1.00 53.24 H new ATOM 368 N ARG A 120 17.334 26.271 -0.194 1.00 54.12 N ATOM 369 CA ARG A 120 16.320 25.309 0.222 1.00 55.51 C ATOM 370 C ARG A 120 14.918 25.840 -0.061 1.00 12.23 C ATOM 371 O ARG A 120 13.931 25.329 0.468 1.00 34.43 O ATOM 372 CB ARG A 120 16.466 24.994 1.712 1.00 3.43 C ATOM 373 CG ARG A 120 15.822 23.680 2.123 1.00 65.02 C ATOM 374 CD ARG A 120 16.812 22.528 2.051 1.00 21.11 C ATOM 375 NE ARG A 120 16.250 21.289 2.584 1.00 42.23 N ATOM 376 CZ ARG A 120 16.946 20.166 2.720 1.00 52.34 C ATOM 377 NH1 ARG A 120 18.223 20.125 2.365 1.00 51.45 N ATOM 378 NH2 ARG A 120 16.364 19.080 3.213 1.00 41.13 N ATOM 0 H ARG A 120 17.941 25.945 -0.946 1.00 54.12 H new ATOM 0 HA ARG A 120 16.466 24.394 -0.352 1.00 55.51 H new ATOM 0 HB2 ARG A 120 17.526 24.965 1.966 1.00 3.43 H new ATOM 0 HB3 ARG A 120 16.021 25.803 2.291 1.00 3.43 H new ATOM 0 HG2 ARG A 120 15.435 23.765 3.138 1.00 65.02 H new ATOM 0 HG3 ARG A 120 14.972 23.472 1.474 1.00 65.02 H new ATOM 0 HD2 ARG A 120 17.113 22.373 1.015 1.00 21.11 H new ATOM 0 HD3 ARG A 120 17.712 22.788 2.609 1.00 21.11 H new ATOM 0 HE ARG A 120 15.270 21.286 2.867 1.00 42.23 H new ATOM 0 HH11 ARG A 120 18.674 20.958 1.986 1.00 51.45 H new ATOM 0 HH12 ARG A 120 18.754 19.261 2.471 1.00 51.45 H new ATOM 0 HH21 ARG A 120 15.382 19.108 3.488 1.00 41.13 H new ATOM 0 HH22 ARG A 120 16.899 18.218 3.317 1.00 41.13 H new ATOM 392 N SER A 121 14.838 26.870 -0.898 1.00 30.22 N ATOM 393 CA SER A 121 13.558 27.473 -1.248 1.00 53.40 C ATOM 394 C SER A 121 13.312 27.394 -2.751 1.00 64.32 C ATOM 395 O SER A 121 12.206 27.650 -3.225 1.00 12.10 O ATOM 396 CB SER A 121 13.514 28.931 -0.789 1.00 4.54 C ATOM 397 OG SER A 121 12.580 29.109 0.262 1.00 23.34 O ATOM 0 H SER A 121 15.645 27.304 -1.346 1.00 30.22 H new ATOM 0 HA SER A 121 12.772 26.915 -0.739 1.00 53.40 H new ATOM 0 HB2 SER A 121 14.505 29.240 -0.455 1.00 4.54 H new ATOM 0 HB3 SER A 121 13.247 29.572 -1.629 1.00 4.54 H new ATOM 0 HG SER A 121 12.573 30.049 0.538 1.00 23.34 H new ATOM 403 N ALA A 122 14.354 27.037 -3.496 1.00 31.03 N ATOM 404 CA ALA A 122 14.252 26.922 -4.946 1.00 22.43 C ATOM 405 C ALA A 122 14.829 25.596 -5.433 1.00 10.12 C ATOM 406 O ALA A 122 15.838 25.568 -6.138 1.00 52.04 O ATOM 407 CB ALA A 122 14.962 28.087 -5.619 1.00 51.32 C ATOM 0 H ALA A 122 15.277 26.823 -3.119 1.00 31.03 H new ATOM 0 HA ALA A 122 13.196 26.950 -5.215 1.00 22.43 H new ATOM 0 HB1 ALA A 122 14.878 27.988 -6.701 1.00 51.32 H new ATOM 0 HB2 ALA A 122 14.503 29.024 -5.303 1.00 51.32 H new ATOM 0 HB3 ALA A 122 16.014 28.085 -5.335 1.00 51.32 H new ATOM 413 N CYS A 123 14.182 24.500 -5.051 1.00 72.15 N ATOM 414 CA CYS A 123 14.631 23.171 -5.448 1.00 11.14 C ATOM 415 C CYS A 123 14.332 22.913 -6.921 1.00 35.32 C ATOM 416 O CYS A 123 13.434 23.524 -7.500 1.00 12.23 O ATOM 417 CB CYS A 123 13.955 22.104 -4.584 1.00 21.51 C ATOM 418 SG CYS A 123 13.982 22.464 -2.799 1.00 50.43 S ATOM 0 H CYS A 123 13.346 24.506 -4.467 1.00 72.15 H new ATOM 0 HA CYS A 123 15.710 23.119 -5.301 1.00 11.14 H new ATOM 0 HB2 CYS A 123 12.919 21.994 -4.906 1.00 21.51 H new ATOM 0 HB3 CYS A 123 14.446 21.147 -4.758 1.00 21.51 H new ATOM 423 N TYR A 124 15.090 22.002 -7.523 1.00 2.43 N ATOM 424 CA TYR A 124 14.909 21.665 -8.929 1.00 53.31 C ATOM 425 C TYR A 124 15.128 20.173 -9.164 1.00 11.44 C ATOM 426 O TYR A 124 15.721 19.483 -8.335 1.00 34.14 O ATOM 427 CB TYR A 124 15.870 22.477 -9.799 1.00 32.53 C ATOM 428 CG TYR A 124 17.141 22.876 -9.084 1.00 63.20 C ATOM 429 CD1 TYR A 124 18.220 22.004 -9.003 1.00 44.31 C ATOM 430 CD2 TYR A 124 17.265 24.127 -8.492 1.00 11.44 C ATOM 431 CE1 TYR A 124 19.383 22.365 -8.351 1.00 34.04 C ATOM 432 CE2 TYR A 124 18.424 24.497 -7.838 1.00 21.40 C ATOM 433 CZ TYR A 124 19.480 23.613 -7.770 1.00 64.11 C ATOM 434 OH TYR A 124 20.637 23.976 -7.121 1.00 3.13 O ATOM 0 H TYR A 124 15.836 21.484 -7.058 1.00 2.43 H new ATOM 0 HA TYR A 124 13.884 21.911 -9.206 1.00 53.31 H new ATOM 0 HB2 TYR A 124 16.128 21.894 -10.683 1.00 32.53 H new ATOM 0 HB3 TYR A 124 15.361 23.376 -10.147 1.00 32.53 H new ATOM 0 HD1 TYR A 124 18.148 21.027 -9.458 1.00 44.31 H new ATOM 0 HD2 TYR A 124 16.440 24.822 -8.544 1.00 11.44 H new ATOM 0 HE1 TYR A 124 20.212 21.675 -8.296 1.00 34.04 H new ATOM 0 HE2 TYR A 124 18.503 25.473 -7.383 1.00 21.40 H new ATOM 0 HH TYR A 124 20.760 24.946 -7.190 1.00 3.13 H new ATOM 444 N CYS A 125 14.645 19.683 -10.301 1.00 51.11 N ATOM 445 CA CYS A 125 14.787 18.274 -10.647 1.00 60.43 C ATOM 446 C CYS A 125 16.233 17.945 -11.006 1.00 4.42 C ATOM 447 O CYS A 125 16.657 18.122 -12.149 1.00 50.50 O ATOM 448 CB CYS A 125 13.867 17.920 -11.818 1.00 0.01 C ATOM 449 SG CYS A 125 12.287 17.164 -11.319 1.00 1.40 S ATOM 0 H CYS A 125 14.152 20.241 -10.998 1.00 51.11 H new ATOM 0 HA CYS A 125 14.503 17.682 -9.777 1.00 60.43 H new ATOM 0 HB2 CYS A 125 13.660 18.824 -12.390 1.00 0.01 H new ATOM 0 HB3 CYS A 125 14.391 17.235 -12.484 1.00 0.01 H new ATOM 454 N ARG A 126 16.987 17.465 -10.022 1.00 75.34 N ATOM 455 CA ARG A 126 18.385 17.112 -10.233 1.00 31.43 C ATOM 456 C ARG A 126 18.599 15.611 -10.064 1.00 32.41 C ATOM 457 O ARG A 126 18.121 15.009 -9.102 1.00 2.45 O ATOM 458 CB ARG A 126 19.279 17.878 -9.256 1.00 63.23 C ATOM 459 CG ARG A 126 20.727 17.981 -9.708 1.00 43.23 C ATOM 460 CD ARG A 126 21.444 19.134 -9.024 1.00 55.43 C ATOM 461 NE ARG A 126 22.538 18.672 -8.175 1.00 64.24 N ATOM 462 CZ ARG A 126 23.727 18.306 -8.643 1.00 75.12 C ATOM 463 NH1 ARG A 126 23.972 18.348 -9.945 1.00 14.21 N ATOM 464 NH2 ARG A 126 24.672 17.896 -7.808 1.00 3.42 N ATOM 0 H ARG A 126 16.652 17.312 -9.071 1.00 75.34 H new ATOM 0 HA ARG A 126 18.653 17.387 -11.253 1.00 31.43 H new ATOM 0 HB2 ARG A 126 18.877 18.882 -9.120 1.00 63.23 H new ATOM 0 HB3 ARG A 126 19.245 17.387 -8.284 1.00 63.23 H new ATOM 0 HG2 ARG A 126 21.245 17.047 -9.488 1.00 43.23 H new ATOM 0 HG3 ARG A 126 20.763 18.119 -10.789 1.00 43.23 H new ATOM 0 HD2 ARG A 126 21.834 19.817 -9.779 1.00 55.43 H new ATOM 0 HD3 ARG A 126 20.731 19.698 -8.422 1.00 55.43 H new ATOM 0 HE ARG A 126 22.381 18.628 -7.168 1.00 64.24 H new ATOM 0 HH11 ARG A 126 23.247 18.662 -10.590 1.00 14.21 H new ATOM 0 HH12 ARG A 126 24.885 18.067 -10.301 1.00 14.21 H new ATOM 0 HH21 ARG A 126 24.487 17.861 -6.806 1.00 3.42 H new ATOM 0 HH22 ARG A 126 25.584 17.615 -8.168 1.00 3.42 H new ATOM 478 N VAL A 127 19.319 15.010 -11.006 1.00 41.22 N ATOM 479 CA VAL A 127 19.596 13.580 -10.963 1.00 0.14 C ATOM 480 C VAL A 127 20.662 13.259 -9.920 1.00 64.44 C ATOM 481 O VAL A 127 21.860 13.388 -10.182 1.00 33.44 O ATOM 482 CB VAL A 127 20.060 13.055 -12.334 1.00 42.43 C ATOM 483 CG1 VAL A 127 18.885 12.965 -13.296 1.00 11.22 C ATOM 484 CG2 VAL A 127 21.158 13.943 -12.901 1.00 54.24 C ATOM 0 H VAL A 127 19.721 15.493 -11.809 1.00 41.22 H new ATOM 0 HA VAL A 127 18.664 13.085 -10.691 1.00 0.14 H new ATOM 0 HB VAL A 127 20.468 12.053 -12.201 1.00 42.43 H new ATOM 0 HG11 VAL A 127 19.232 12.592 -14.260 1.00 11.22 H new ATOM 0 HG12 VAL A 127 18.135 12.285 -12.892 1.00 11.22 H new ATOM 0 HG13 VAL A 127 18.445 13.954 -13.426 1.00 11.22 H new ATOM 0 HG21 VAL A 127 21.474 13.557 -13.870 1.00 54.24 H new ATOM 0 HG22 VAL A 127 20.780 14.958 -13.021 1.00 54.24 H new ATOM 0 HG23 VAL A 127 22.008 13.951 -12.219 1.00 54.24 H new ATOM 494 N LEU A 128 20.221 12.839 -8.740 1.00 4.22 N ATOM 495 CA LEU A 128 21.138 12.499 -7.658 1.00 12.15 C ATOM 496 C LEU A 128 21.470 11.010 -7.673 1.00 75.33 C ATOM 497 O LEU A 128 21.570 10.376 -6.624 1.00 31.45 O ATOM 498 CB LEU A 128 20.530 12.883 -6.308 1.00 53.40 C ATOM 499 CG LEU A 128 20.077 14.336 -6.166 1.00 10.42 C ATOM 500 CD1 LEU A 128 18.786 14.418 -5.364 1.00 0.32 C ATOM 501 CD2 LEU A 128 21.166 15.174 -5.511 1.00 23.42 C ATOM 0 H LEU A 128 19.234 12.726 -8.508 1.00 4.22 H new ATOM 0 HA LEU A 128 22.060 13.060 -7.807 1.00 12.15 H new ATOM 0 HB2 LEU A 128 19.673 12.236 -6.121 1.00 53.40 H new ATOM 0 HB3 LEU A 128 21.263 12.674 -5.529 1.00 53.40 H new ATOM 0 HG LEU A 128 19.888 14.735 -7.163 1.00 10.42 H new ATOM 0 HD11 LEU A 128 18.479 15.460 -5.274 1.00 0.32 H new ATOM 0 HD12 LEU A 128 18.005 13.853 -5.873 1.00 0.32 H new ATOM 0 HD13 LEU A 128 18.948 14.000 -4.370 1.00 0.32 H new ATOM 0 HD21 LEU A 128 20.825 16.205 -5.418 1.00 23.42 H new ATOM 0 HD22 LEU A 128 21.387 14.774 -4.521 1.00 23.42 H new ATOM 0 HD23 LEU A 128 22.067 15.143 -6.124 1.00 23.42 H new ATOM 513 N SER A 129 21.640 10.459 -8.871 1.00 72.15 N ATOM 514 CA SER A 129 21.959 9.044 -9.024 1.00 53.42 C ATOM 515 C SER A 129 23.407 8.859 -9.468 1.00 13.25 C ATOM 516 O SER A 129 24.106 7.967 -8.984 1.00 45.14 O ATOM 517 CB SER A 129 21.016 8.394 -10.038 1.00 32.24 C ATOM 518 OG SER A 129 19.795 8.013 -9.427 1.00 51.23 O ATOM 0 H SER A 129 21.562 10.971 -9.750 1.00 72.15 H new ATOM 0 HA SER A 129 21.829 8.560 -8.056 1.00 53.42 H new ATOM 0 HB2 SER A 129 20.817 9.090 -10.853 1.00 32.24 H new ATOM 0 HB3 SER A 129 21.496 7.519 -10.477 1.00 32.24 H new ATOM 0 HG SER A 129 19.153 7.745 -10.118 1.00 51.23 H new ATOM 524 N LEU A 130 23.850 9.707 -10.388 1.00 72.33 N ATOM 525 CA LEU A 130 25.215 9.637 -10.899 1.00 43.33 C ATOM 526 C LEU A 130 25.463 8.313 -11.613 1.00 34.24 C ATOM 527 O LEU A 130 26.608 7.926 -11.844 1.00 54.13 O ATOM 528 CB LEU A 130 26.217 9.810 -9.755 1.00 71.24 C ATOM 529 CG LEU A 130 25.970 10.994 -8.819 1.00 71.43 C ATOM 530 CD1 LEU A 130 26.537 10.708 -7.438 1.00 30.11 C ATOM 531 CD2 LEU A 130 26.578 12.264 -9.395 1.00 74.25 C ATOM 0 H LEU A 130 23.285 10.451 -10.796 1.00 72.33 H new ATOM 0 HA LEU A 130 25.350 10.445 -11.618 1.00 43.33 H new ATOM 0 HB2 LEU A 130 26.220 8.897 -9.160 1.00 71.24 H new ATOM 0 HB3 LEU A 130 27.214 9.914 -10.184 1.00 71.24 H new ATOM 0 HG LEU A 130 24.894 11.141 -8.724 1.00 71.43 H new ATOM 0 HD11 LEU A 130 26.352 11.561 -6.785 1.00 30.11 H new ATOM 0 HD12 LEU A 130 26.055 9.823 -7.023 1.00 30.11 H new ATOM 0 HD13 LEU A 130 27.611 10.535 -7.514 1.00 30.11 H new ATOM 0 HD21 LEU A 130 26.393 13.096 -8.716 1.00 74.25 H new ATOM 0 HD22 LEU A 130 27.652 12.129 -9.519 1.00 74.25 H new ATOM 0 HD23 LEU A 130 26.125 12.478 -10.363 1.00 74.25 H new ATOM 543 N ASN A 131 24.381 7.622 -11.960 1.00 25.35 N ATOM 544 CA ASN A 131 24.483 6.341 -12.649 1.00 33.11 C ATOM 545 C ASN A 131 23.768 6.390 -13.997 1.00 32.12 C ATOM 546 O ASN A 131 24.168 5.720 -14.949 1.00 71.21 O ATOM 547 CB ASN A 131 23.889 5.226 -11.786 1.00 23.40 C ATOM 548 CG ASN A 131 24.099 3.851 -12.392 1.00 4.22 C ATOM 549 OD1 ASN A 131 25.166 3.252 -12.245 1.00 15.31 O ATOM 550 ND2 ASN A 131 23.081 3.345 -13.077 1.00 42.12 N ATOM 0 H ASN A 131 23.425 7.928 -11.775 1.00 25.35 H new ATOM 0 HA ASN A 131 25.539 6.134 -12.824 1.00 33.11 H new ATOM 0 HB2 ASN A 131 24.343 5.256 -10.795 1.00 23.40 H new ATOM 0 HB3 ASN A 131 22.822 5.402 -11.654 1.00 23.40 H new ATOM 0 HD21 ASN A 131 23.164 2.424 -13.508 1.00 42.12 H new ATOM 0 HD22 ASN A 131 22.216 3.877 -13.173 1.00 42.12 H new ATOM 557 N CYS A 132 22.709 7.189 -14.069 1.00 54.53 N ATOM 558 CA CYS A 132 21.938 7.328 -15.299 1.00 32.33 C ATOM 559 C CYS A 132 22.448 8.500 -16.132 1.00 31.14 C ATOM 560 O CYS A 132 22.890 9.513 -15.589 1.00 42.11 O ATOM 561 CB CYS A 132 20.455 7.524 -14.976 1.00 50.31 C ATOM 562 SG CYS A 132 19.778 6.297 -13.812 1.00 63.43 S ATOM 0 H CYS A 132 22.365 7.750 -13.290 1.00 54.53 H new ATOM 0 HA CYS A 132 22.059 6.413 -15.880 1.00 32.33 H new ATOM 0 HB2 CYS A 132 20.314 8.521 -14.559 1.00 50.31 H new ATOM 0 HB3 CYS A 132 19.884 7.483 -15.903 1.00 50.31 H new TER 567 CYS A 132