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= 0.0456! USER MOD Single : A 98 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.3) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= 0.0351 (180deg=0.0351) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= -0.337 K(o=-0.34,f=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.754 20.033 -20.147 1.00 0.30 N ATOM 2 CA CYS A 93 9.040 19.896 -18.724 1.00 54.33 C ATOM 3 C CYS A 93 10.450 20.380 -18.403 1.00 2.43 C ATOM 4 O CYS A 93 11.165 20.869 -19.278 1.00 40.03 O ATOM 5 CB CYS A 93 8.878 18.438 -18.288 1.00 53.11 C ATOM 6 SG CYS A 93 9.695 17.238 -19.389 1.00 12.51 S ATOM 0 HA CYS A 93 8.329 20.514 -18.175 1.00 54.33 H new ATOM 0 HB2 CYS A 93 9.280 18.324 -17.281 1.00 53.11 H new ATOM 0 HB3 CYS A 93 7.815 18.202 -18.235 1.00 53.11 H new ATOM 11 N VAL A 94 10.845 20.242 -17.141 1.00 53.42 N ATOM 12 CA VAL A 94 12.170 20.665 -16.704 1.00 42.15 C ATOM 13 C VAL A 94 13.229 19.636 -17.085 1.00 73.44 C ATOM 14 O VAL A 94 13.111 18.457 -16.751 1.00 42.20 O ATOM 15 CB VAL A 94 12.214 20.889 -15.181 1.00 41.34 C ATOM 16 CG1 VAL A 94 13.604 20.597 -14.638 1.00 3.21 C ATOM 17 CG2 VAL A 94 11.787 22.309 -14.840 1.00 21.41 C ATOM 0 H VAL A 94 10.266 19.840 -16.403 1.00 53.42 H new ATOM 0 HA VAL A 94 12.384 21.607 -17.209 1.00 42.15 H new ATOM 0 HB VAL A 94 11.514 20.200 -14.709 1.00 41.34 H new ATOM 0 HG11 VAL A 94 13.615 20.761 -13.560 1.00 3.21 H new ATOM 0 HG12 VAL A 94 13.867 19.561 -14.850 1.00 3.21 H new ATOM 0 HG13 VAL A 94 14.327 21.260 -15.113 1.00 3.21 H new ATOM 0 HG21 VAL A 94 11.824 22.451 -13.760 1.00 21.41 H new ATOM 0 HG22 VAL A 94 12.461 23.017 -15.322 1.00 21.41 H new ATOM 0 HG23 VAL A 94 10.770 22.478 -15.194 1.00 21.41 H new ATOM 27 N ALA A 95 14.262 20.089 -17.787 1.00 51.34 N ATOM 28 CA ALA A 95 15.342 19.209 -18.212 1.00 62.53 C ATOM 29 C ALA A 95 16.126 18.682 -17.014 1.00 12.53 C ATOM 30 O ALA A 95 16.054 17.498 -16.683 1.00 54.01 O ATOM 31 CB ALA A 95 16.271 19.938 -19.172 1.00 73.14 C ATOM 0 H ALA A 95 14.373 21.062 -18.073 1.00 51.34 H new ATOM 0 HA ALA A 95 14.900 18.357 -18.728 1.00 62.53 H new ATOM 0 HB1 ALA A 95 17.073 19.268 -19.481 1.00 73.14 H new ATOM 0 HB2 ALA A 95 15.709 20.260 -20.049 1.00 73.14 H new ATOM 0 HB3 ALA A 95 16.697 20.809 -18.675 1.00 73.14 H new ATOM 37 N THR A 96 16.873 19.570 -16.366 1.00 43.23 N ATOM 38 CA THR A 96 17.671 19.195 -15.205 1.00 62.52 C ATOM 39 C THR A 96 18.098 20.423 -14.411 1.00 43.52 C ATOM 40 O THR A 96 18.354 21.485 -14.980 1.00 70.35 O ATOM 41 CB THR A 96 18.927 18.403 -15.619 1.00 4.43 C ATOM 42 OG1 THR A 96 18.609 17.500 -16.683 1.00 35.44 O ATOM 43 CG2 THR A 96 19.490 17.626 -14.438 1.00 53.34 C ATOM 0 H THR A 96 16.942 20.554 -16.625 1.00 43.23 H new ATOM 0 HA THR A 96 17.041 18.563 -14.579 1.00 62.52 H new ATOM 0 HB THR A 96 19.681 19.113 -15.960 1.00 4.43 H new ATOM 0 HG1 THR A 96 17.708 17.139 -16.548 1.00 35.44 H new ATOM 0 HG21 THR A 96 20.376 17.075 -14.754 1.00 53.34 H new ATOM 0 HG22 THR A 96 19.759 18.319 -13.641 1.00 53.34 H new ATOM 0 HG23 THR A 96 18.739 16.926 -14.072 1.00 53.34 H new ATOM 51 N ARG A 97 18.173 20.274 -13.092 1.00 62.21 N ATOM 52 CA ARG A 97 18.569 21.372 -12.220 1.00 14.52 C ATOM 53 C ARG A 97 17.963 22.689 -12.695 1.00 54.54 C ATOM 54 O ARG A 97 18.615 23.731 -12.663 1.00 45.23 O ATOM 55 CB ARG A 97 20.093 21.489 -12.169 1.00 61.31 C ATOM 56 CG ARG A 97 20.709 21.984 -13.467 1.00 22.13 C ATOM 57 CD ARG A 97 21.168 20.829 -14.343 1.00 23.15 C ATOM 58 NE ARG A 97 21.140 21.172 -15.762 1.00 42.43 N ATOM 59 CZ ARG A 97 22.104 21.852 -16.373 1.00 24.11 C ATOM 60 NH1 ARG A 97 23.168 22.257 -15.693 1.00 3.02 N ATOM 61 NH2 ARG A 97 22.006 22.126 -17.668 1.00 23.13 N ATOM 0 H ARG A 97 17.964 19.403 -12.604 1.00 62.21 H new ATOM 0 HA ARG A 97 18.195 21.159 -11.219 1.00 14.52 H new ATOM 0 HB2 ARG A 97 20.370 22.168 -11.363 1.00 61.31 H new ATOM 0 HB3 ARG A 97 20.516 20.515 -11.924 1.00 61.31 H new ATOM 0 HG2 ARG A 97 19.981 22.586 -14.010 1.00 22.13 H new ATOM 0 HG3 ARG A 97 21.557 22.632 -13.245 1.00 22.13 H new ATOM 0 HD2 ARG A 97 22.180 20.540 -14.060 1.00 23.15 H new ATOM 0 HD3 ARG A 97 20.528 19.964 -14.167 1.00 23.15 H new ATOM 0 HE ARG A 97 20.336 20.873 -16.314 1.00 42.43 H new ATOM 0 HH11 ARG A 97 23.248 22.047 -14.698 1.00 3.02 H new ATOM 0 HH12 ARG A 97 23.907 22.779 -16.165 1.00 3.02 H new ATOM 0 HH21 ARG A 97 21.190 21.814 -18.195 1.00 23.13 H new ATOM 0 HH22 ARG A 97 22.747 22.648 -18.136 1.00 23.13 H new ATOM 75 N ASN A 98 16.710 22.633 -13.137 1.00 2.51 N ATOM 76 CA ASN A 98 16.017 23.822 -13.620 1.00 44.30 C ATOM 77 C ASN A 98 15.009 24.321 -12.589 1.00 63.43 C ATOM 78 O ASN A 98 15.172 25.398 -12.017 1.00 1.21 O ATOM 79 CB ASN A 98 15.306 23.521 -14.941 1.00 24.01 C ATOM 80 CG ASN A 98 15.093 24.766 -15.781 1.00 23.24 C ATOM 81 OD1 ASN A 98 15.278 25.887 -15.306 1.00 54.10 O ATOM 82 ND2 ASN A 98 14.704 24.574 -17.036 1.00 34.12 N ATOM 0 H ASN A 98 16.155 21.778 -13.171 1.00 2.51 H new ATOM 0 HA ASN A 98 16.759 24.604 -13.784 1.00 44.30 H new ATOM 0 HB2 ASN A 98 15.892 22.799 -15.509 1.00 24.01 H new ATOM 0 HB3 ASN A 98 14.342 23.057 -14.734 1.00 24.01 H new ATOM 0 HD21 ASN A 98 14.546 25.374 -17.649 1.00 34.12 H new ATOM 0 HD22 ASN A 98 14.563 23.627 -17.387 1.00 34.12 H new ATOM 89 N SER A 99 13.967 23.529 -12.358 1.00 11.11 N ATOM 90 CA SER A 99 12.930 23.891 -11.398 1.00 51.11 C ATOM 91 C SER A 99 12.208 22.649 -10.884 1.00 33.32 C ATOM 92 O SER A 99 12.009 21.682 -11.621 1.00 13.34 O ATOM 93 CB SER A 99 11.926 24.850 -12.039 1.00 1.42 C ATOM 94 OG SER A 99 11.116 25.471 -11.055 1.00 12.22 O ATOM 0 H SER A 99 13.818 22.633 -12.822 1.00 11.11 H new ATOM 0 HA SER A 99 13.408 24.387 -10.553 1.00 51.11 H new ATOM 0 HB2 SER A 99 12.458 25.611 -12.610 1.00 1.42 H new ATOM 0 HB3 SER A 99 11.296 24.306 -12.743 1.00 1.42 H new ATOM 0 HG SER A 99 10.483 26.081 -11.489 1.00 12.22 H new ATOM 100 N CYS A 100 11.818 22.682 -9.614 1.00 53.55 N ATOM 101 CA CYS A 100 11.118 21.561 -9.000 1.00 25.21 C ATOM 102 C CYS A 100 9.610 21.798 -8.994 1.00 23.25 C ATOM 103 O CYS A 100 8.907 21.416 -9.928 1.00 75.11 O ATOM 104 CB CYS A 100 11.617 21.344 -7.570 1.00 22.45 C ATOM 105 SG CYS A 100 10.782 19.984 -6.689 1.00 44.54 S ATOM 0 H CYS A 100 11.975 23.474 -8.990 1.00 53.55 H new ATOM 0 HA CYS A 100 11.325 20.668 -9.590 1.00 25.21 H new ATOM 0 HB2 CYS A 100 12.688 21.142 -7.597 1.00 22.45 H new ATOM 0 HB3 CYS A 100 11.481 22.266 -7.005 1.00 22.45 H new ATOM 110 N LYS A 101 9.121 22.431 -7.933 1.00 3.35 N ATOM 111 CA LYS A 101 7.698 22.722 -7.803 1.00 23.31 C ATOM 112 C LYS A 101 6.895 21.990 -8.873 1.00 53.13 C ATOM 113 O LYS A 101 6.460 22.575 -9.866 1.00 31.14 O ATOM 114 CB LYS A 101 7.453 24.229 -7.907 1.00 60.23 C ATOM 115 CG LYS A 101 7.621 24.964 -6.589 1.00 31.13 C ATOM 116 CD LYS A 101 9.080 25.284 -6.311 1.00 3.53 C ATOM 117 CE LYS A 101 9.656 24.370 -5.241 1.00 5.01 C ATOM 118 NZ LYS A 101 9.897 25.096 -3.962 1.00 64.34 N ATOM 0 H LYS A 101 9.690 22.753 -7.150 1.00 3.35 H new ATOM 0 HA LYS A 101 7.368 22.374 -6.824 1.00 23.31 H new ATOM 0 HB2 LYS A 101 8.141 24.651 -8.639 1.00 60.23 H new ATOM 0 HB3 LYS A 101 6.444 24.400 -8.283 1.00 60.23 H new ATOM 0 HG2 LYS A 101 7.043 25.888 -6.610 1.00 31.13 H new ATOM 0 HG3 LYS A 101 7.220 24.355 -5.778 1.00 31.13 H new ATOM 0 HD2 LYS A 101 9.658 25.180 -7.229 1.00 3.53 H new ATOM 0 HD3 LYS A 101 9.172 26.322 -5.992 1.00 3.53 H new ATOM 0 HE2 LYS A 101 8.971 23.541 -5.064 1.00 5.01 H new ATOM 0 HE3 LYS A 101 10.592 23.940 -5.596 1.00 5.01 H new ATOM 0 HZ1 LYS A 101 10.274 24.435 -3.253 1.00 64.34 H new ATOM 0 HZ2 LYS A 101 10.583 25.861 -4.121 1.00 64.34 H new ATOM 0 HZ3 LYS A 101 9.002 25.499 -3.618 1.00 64.34 H new ATOM 132 N PRO A 102 6.689 20.681 -8.669 1.00 22.33 N ATOM 133 CA PRO A 102 5.934 19.841 -9.604 1.00 10.11 C ATOM 134 C PRO A 102 4.446 20.174 -9.610 1.00 3.12 C ATOM 135 O PRO A 102 3.618 19.366 -9.191 1.00 25.22 O ATOM 136 CB PRO A 102 6.163 18.424 -9.074 1.00 73.31 C ATOM 137 CG PRO A 102 6.454 18.604 -7.624 1.00 44.21 C ATOM 138 CD PRO A 102 7.178 19.917 -7.507 1.00 14.41 C ATOM 0 HA PRO A 102 6.261 19.983 -10.634 1.00 10.11 H new ATOM 0 HB2 PRO A 102 5.284 17.798 -9.227 1.00 73.31 H new ATOM 0 HB3 PRO A 102 6.993 17.939 -9.587 1.00 73.31 H new ATOM 0 HG2 PRO A 102 5.534 18.612 -7.039 1.00 44.21 H new ATOM 0 HG3 PRO A 102 7.066 17.786 -7.244 1.00 44.21 H new ATOM 0 HD2 PRO A 102 6.947 20.421 -6.569 1.00 14.41 H new ATOM 0 HD3 PRO A 102 8.259 19.784 -7.540 1.00 14.41 H new ATOM 146 N ALA A 103 4.113 21.368 -10.088 1.00 52.45 N ATOM 147 CA ALA A 103 2.724 21.806 -10.150 1.00 72.23 C ATOM 148 C ALA A 103 2.298 22.078 -11.589 1.00 21.41 C ATOM 149 O ALA A 103 1.261 21.593 -12.041 1.00 0.12 O ATOM 150 CB ALA A 103 2.523 23.049 -9.296 1.00 23.32 C ATOM 0 H ALA A 103 4.786 22.050 -10.438 1.00 52.45 H new ATOM 0 HA ALA A 103 2.099 21.004 -9.758 1.00 72.23 H new ATOM 0 HB1 ALA A 103 1.481 23.364 -9.352 1.00 23.32 H new ATOM 0 HB2 ALA A 103 2.779 22.824 -8.261 1.00 23.32 H new ATOM 0 HB3 ALA A 103 3.165 23.850 -9.663 1.00 23.32 H new ATOM 156 N ALA A 104 3.105 22.854 -12.305 1.00 4.14 N ATOM 157 CA ALA A 104 2.812 23.188 -13.692 1.00 55.33 C ATOM 158 C ALA A 104 3.297 22.093 -14.635 1.00 43.11 C ATOM 159 O ALA A 104 3.203 22.223 -15.855 1.00 54.04 O ATOM 160 CB ALA A 104 3.445 24.522 -14.059 1.00 41.21 C ATOM 0 H ALA A 104 3.968 23.263 -11.946 1.00 4.14 H new ATOM 0 HA ALA A 104 1.730 23.270 -13.799 1.00 55.33 H new ATOM 0 HB1 ALA A 104 3.218 24.759 -15.098 1.00 41.21 H new ATOM 0 HB2 ALA A 104 3.046 25.304 -13.413 1.00 41.21 H new ATOM 0 HB3 ALA A 104 4.525 24.460 -13.929 1.00 41.21 H new ATOM 166 N ALA A 105 3.819 21.014 -14.061 1.00 62.45 N ATOM 167 CA ALA A 105 4.318 19.895 -14.851 1.00 64.50 C ATOM 168 C ALA A 105 5.698 20.201 -15.425 1.00 33.44 C ATOM 169 O ALA A 105 5.911 20.113 -16.634 1.00 32.42 O ATOM 170 CB ALA A 105 3.342 19.559 -15.968 1.00 72.12 C ATOM 0 H ALA A 105 3.907 20.891 -13.052 1.00 62.45 H new ATOM 0 HA ALA A 105 4.410 19.031 -14.193 1.00 64.50 H new ATOM 0 HB1 ALA A 105 3.728 18.722 -16.549 1.00 72.12 H new ATOM 0 HB2 ALA A 105 2.377 19.289 -15.539 1.00 72.12 H new ATOM 0 HB3 ALA A 105 3.220 20.426 -16.618 1.00 72.12 H new ATOM 176 N ALA A 106 6.631 20.560 -14.550 1.00 71.12 N ATOM 177 CA ALA A 106 7.991 20.877 -14.970 1.00 13.32 C ATOM 178 C ALA A 106 9.016 20.149 -14.108 1.00 24.10 C ATOM 179 O ALA A 106 9.778 20.775 -13.370 1.00 2.12 O ATOM 180 CB ALA A 106 8.222 22.380 -14.914 1.00 43.05 C ATOM 0 H ALA A 106 6.470 20.639 -13.546 1.00 71.12 H new ATOM 0 HA ALA A 106 8.116 20.539 -15.999 1.00 13.32 H new ATOM 0 HB1 ALA A 106 9.241 22.604 -15.230 1.00 43.05 H new ATOM 0 HB2 ALA A 106 7.518 22.881 -15.578 1.00 43.05 H new ATOM 0 HB3 ALA A 106 8.073 22.733 -13.894 1.00 43.05 H new ATOM 186 N CYS A 107 9.029 18.824 -14.204 1.00 3.24 N ATOM 187 CA CYS A 107 9.960 18.010 -13.432 1.00 11.12 C ATOM 188 C CYS A 107 9.939 16.560 -13.908 1.00 73.00 C ATOM 189 O CYS A 107 10.104 15.632 -13.115 1.00 75.23 O ATOM 190 CB CYS A 107 9.613 18.075 -11.943 1.00 63.30 C ATOM 191 SG CYS A 107 11.062 18.218 -10.848 1.00 23.34 S ATOM 0 H CYS A 107 8.405 18.291 -14.809 1.00 3.24 H new ATOM 0 HA CYS A 107 10.963 18.409 -13.582 1.00 11.12 H new ATOM 0 HB2 CYS A 107 8.955 18.927 -11.771 1.00 63.30 H new ATOM 0 HB3 CYS A 107 9.053 17.180 -11.672 1.00 63.30 H new ATOM 196 N CYS A 108 9.735 16.373 -15.207 1.00 53.12 N ATOM 197 CA CYS A 108 9.691 15.037 -15.791 1.00 33.11 C ATOM 198 C CYS A 108 11.022 14.316 -15.598 1.00 2.31 C ATOM 199 O CYS A 108 11.864 14.746 -14.810 1.00 22.04 O ATOM 200 CB CYS A 108 9.354 15.120 -17.281 1.00 60.31 C ATOM 201 SG CYS A 108 10.662 15.877 -18.298 1.00 63.55 S ATOM 0 H CYS A 108 9.597 17.130 -15.876 1.00 53.12 H new ATOM 0 HA CYS A 108 8.913 14.469 -15.281 1.00 33.11 H new ATOM 0 HB2 CYS A 108 9.154 14.115 -17.654 1.00 60.31 H new ATOM 0 HB3 CYS A 108 8.435 15.694 -17.403 1.00 60.31 H new ATOM 206 N ASP A 109 11.204 13.218 -16.323 1.00 51.33 N ATOM 207 CA ASP A 109 12.432 12.438 -16.233 1.00 72.54 C ATOM 208 C ASP A 109 12.527 11.725 -14.888 1.00 1.34 C ATOM 209 O ASP A 109 12.894 12.315 -13.870 1.00 73.31 O ATOM 210 CB ASP A 109 13.651 13.340 -16.434 1.00 30.41 C ATOM 211 CG ASP A 109 14.754 12.656 -17.218 1.00 33.31 C ATOM 212 OD1 ASP A 109 14.470 12.153 -18.325 1.00 24.43 O ATOM 213 OD2 ASP A 109 15.901 12.625 -16.725 1.00 62.41 O ATOM 0 H ASP A 109 10.517 12.848 -16.980 1.00 51.33 H new ATOM 0 HA ASP A 109 12.413 11.686 -17.021 1.00 72.54 H new ATOM 0 HB2 ASP A 109 13.346 14.247 -16.957 1.00 30.41 H new ATOM 0 HB3 ASP A 109 14.037 13.647 -15.462 1.00 30.41 H new ATOM 218 N PRO A 110 12.186 10.428 -14.878 1.00 45.32 N ATOM 219 CA PRO A 110 12.224 9.608 -13.664 1.00 31.14 C ATOM 220 C PRO A 110 13.648 9.339 -13.191 1.00 22.12 C ATOM 221 O PRO A 110 13.860 8.766 -12.122 1.00 23.13 O ATOM 222 CB PRO A 110 11.549 8.304 -14.095 1.00 15.20 C ATOM 223 CG PRO A 110 11.757 8.239 -15.568 1.00 64.34 C ATOM 224 CD PRO A 110 11.739 9.661 -16.054 1.00 13.22 C ATOM 0 HA PRO A 110 11.734 10.100 -12.824 1.00 31.14 H new ATOM 0 HB2 PRO A 110 11.993 7.444 -13.594 1.00 15.20 H new ATOM 0 HB3 PRO A 110 10.488 8.306 -13.845 1.00 15.20 H new ATOM 0 HG2 PRO A 110 12.705 7.757 -15.807 1.00 64.34 H new ATOM 0 HG3 PRO A 110 10.972 7.653 -16.047 1.00 64.34 H new ATOM 0 HD2 PRO A 110 12.406 9.804 -16.904 1.00 13.22 H new ATOM 0 HD3 PRO A 110 10.743 9.963 -16.376 1.00 13.22 H new ATOM 232 N CYS A 111 14.623 9.756 -13.992 1.00 74.32 N ATOM 233 CA CYS A 111 16.027 9.560 -13.656 1.00 3.11 C ATOM 234 C CYS A 111 16.534 10.685 -12.757 1.00 33.14 C ATOM 235 O CYS A 111 17.628 10.603 -12.200 1.00 53.42 O ATOM 236 CB CYS A 111 16.873 9.490 -14.929 1.00 2.31 C ATOM 237 SG CYS A 111 17.295 7.795 -15.449 1.00 3.43 S ATOM 0 H CYS A 111 14.465 10.233 -14.880 1.00 74.32 H new ATOM 0 HA CYS A 111 16.117 8.618 -13.115 1.00 3.11 H new ATOM 0 HB2 CYS A 111 16.334 9.983 -15.738 1.00 2.31 H new ATOM 0 HB3 CYS A 111 17.795 10.050 -14.771 1.00 2.31 H new ATOM 242 N ALA A 112 15.728 11.734 -12.621 1.00 22.32 N ATOM 243 CA ALA A 112 16.093 12.873 -11.788 1.00 70.11 C ATOM 244 C ALA A 112 15.169 12.988 -10.580 1.00 63.15 C ATOM 245 O ALA A 112 14.050 12.476 -10.591 1.00 72.43 O ATOM 246 CB ALA A 112 16.058 14.156 -12.606 1.00 12.34 C ATOM 0 H ALA A 112 14.819 11.818 -13.077 1.00 22.32 H new ATOM 0 HA ALA A 112 17.108 12.715 -11.422 1.00 70.11 H new ATOM 0 HB1 ALA A 112 16.333 14.999 -11.972 1.00 12.34 H new ATOM 0 HB2 ALA A 112 16.763 14.079 -13.433 1.00 12.34 H new ATOM 0 HB3 ALA A 112 15.053 14.310 -12.999 1.00 12.34 H new ATOM 252 N SER A 113 15.646 13.663 -9.539 1.00 72.12 N ATOM 253 CA SER A 113 14.865 13.841 -8.321 1.00 2.00 C ATOM 254 C SER A 113 14.874 15.301 -7.878 1.00 22.13 C ATOM 255 O SER A 113 15.848 16.023 -8.097 1.00 32.44 O ATOM 256 CB SER A 113 15.416 12.954 -7.202 1.00 32.21 C ATOM 257 OG SER A 113 14.426 12.700 -6.219 1.00 45.22 O ATOM 0 H SER A 113 16.569 14.095 -9.515 1.00 72.12 H new ATOM 0 HA SER A 113 13.836 13.550 -8.533 1.00 2.00 H new ATOM 0 HB2 SER A 113 15.768 12.011 -7.621 1.00 32.21 H new ATOM 0 HB3 SER A 113 16.276 13.438 -6.740 1.00 32.21 H new ATOM 0 HG SER A 113 14.802 12.130 -5.516 1.00 45.22 H new ATOM 263 N CYS A 114 13.782 15.730 -7.254 1.00 4.34 N ATOM 264 CA CYS A 114 13.661 17.103 -6.779 1.00 5.11 C ATOM 265 C CYS A 114 14.635 17.370 -5.635 1.00 13.53 C ATOM 266 O CYS A 114 14.355 17.049 -4.480 1.00 31.51 O ATOM 267 CB CYS A 114 12.229 17.383 -6.321 1.00 71.32 C ATOM 268 SG CYS A 114 12.008 19.002 -5.517 1.00 0.13 S ATOM 0 H CYS A 114 12.967 15.146 -7.065 1.00 4.34 H new ATOM 0 HA CYS A 114 13.907 17.770 -7.605 1.00 5.11 H new ATOM 0 HB2 CYS A 114 11.565 17.324 -7.184 1.00 71.32 H new ATOM 0 HB3 CYS A 114 11.921 16.600 -5.628 1.00 71.32 H new ATOM 273 N TYR A 115 15.778 17.962 -5.963 1.00 53.51 N ATOM 274 CA TYR A 115 16.793 18.272 -4.963 1.00 62.13 C ATOM 275 C TYR A 115 16.732 19.743 -4.562 1.00 2.11 C ATOM 276 O TYR A 115 16.455 20.613 -5.388 1.00 23.21 O ATOM 277 CB TYR A 115 18.186 17.935 -5.500 1.00 14.32 C ATOM 278 CG TYR A 115 19.304 18.639 -4.765 1.00 20.54 C ATOM 279 CD1 TYR A 115 19.795 18.139 -3.565 1.00 32.24 C ATOM 280 CD2 TYR A 115 19.869 19.804 -5.269 1.00 22.54 C ATOM 281 CE1 TYR A 115 20.816 18.778 -2.888 1.00 41.43 C ATOM 282 CE2 TYR A 115 20.891 20.449 -4.600 1.00 64.01 C ATOM 283 CZ TYR A 115 21.361 19.932 -3.411 1.00 21.14 C ATOM 284 OH TYR A 115 22.379 20.573 -2.741 1.00 51.34 O ATOM 0 H TYR A 115 16.025 18.237 -6.914 1.00 53.51 H new ATOM 0 HA TYR A 115 16.594 17.665 -4.079 1.00 62.13 H new ATOM 0 HB2 TYR A 115 18.341 16.858 -5.434 1.00 14.32 H new ATOM 0 HB3 TYR A 115 18.233 18.200 -6.556 1.00 14.32 H new ATOM 0 HD1 TYR A 115 19.371 17.235 -3.154 1.00 32.24 H new ATOM 0 HD2 TYR A 115 19.503 20.212 -6.200 1.00 22.54 H new ATOM 0 HE1 TYR A 115 21.185 18.377 -1.956 1.00 41.43 H new ATOM 0 HE2 TYR A 115 21.320 21.353 -5.006 1.00 64.01 H new ATOM 0 HH TYR A 115 22.651 21.369 -3.244 1.00 51.34 H new ATOM 294 N CYS A 116 16.993 20.013 -3.287 1.00 64.44 N ATOM 295 CA CYS A 116 16.970 21.376 -2.773 1.00 55.15 C ATOM 296 C CYS A 116 18.335 21.774 -2.222 1.00 11.10 C ATOM 297 O CYS A 116 19.141 20.918 -1.856 1.00 63.13 O ATOM 298 CB CYS A 116 15.907 21.514 -1.682 1.00 34.54 C ATOM 299 SG CYS A 116 14.238 20.995 -2.199 1.00 40.32 S ATOM 0 H CYS A 116 17.223 19.304 -2.591 1.00 64.44 H new ATOM 0 HA CYS A 116 16.723 22.044 -3.598 1.00 55.15 H new ATOM 0 HB2 CYS A 116 16.209 20.921 -0.819 1.00 34.54 H new ATOM 0 HB3 CYS A 116 15.868 22.554 -1.357 1.00 34.54 H new ATOM 304 N ARG A 117 18.588 23.078 -2.164 1.00 74.34 N ATOM 305 CA ARG A 117 19.855 23.589 -1.657 1.00 63.34 C ATOM 306 C ARG A 117 19.647 24.384 -0.371 1.00 71.55 C ATOM 307 O ARG A 117 18.551 24.400 0.189 1.00 53.20 O ATOM 308 CB ARG A 117 20.532 24.469 -2.710 1.00 54.15 C ATOM 309 CG ARG A 117 19.551 25.197 -3.615 1.00 2.53 C ATOM 310 CD ARG A 117 18.707 26.193 -2.835 1.00 71.15 C ATOM 311 NE ARG A 117 18.340 27.353 -3.644 1.00 4.13 N ATOM 312 CZ ARG A 117 19.197 28.307 -3.991 1.00 63.53 C ATOM 313 NH1 ARG A 117 20.463 28.239 -3.603 1.00 31.03 N ATOM 314 NH2 ARG A 117 18.787 29.330 -4.730 1.00 5.13 N ATOM 0 H ARG A 117 17.932 23.799 -2.462 1.00 74.34 H new ATOM 0 HA ARG A 117 20.499 22.737 -1.436 1.00 63.34 H new ATOM 0 HB2 ARG A 117 21.163 25.202 -2.208 1.00 54.15 H new ATOM 0 HB3 ARG A 117 21.188 23.850 -3.322 1.00 54.15 H new ATOM 0 HG2 ARG A 117 20.097 25.718 -4.401 1.00 2.53 H new ATOM 0 HG3 ARG A 117 18.901 24.473 -4.106 1.00 2.53 H new ATOM 0 HD2 ARG A 117 17.803 25.700 -2.477 1.00 71.15 H new ATOM 0 HD3 ARG A 117 19.259 26.525 -1.955 1.00 71.15 H new ATOM 0 HE ARG A 117 17.373 27.435 -3.959 1.00 4.13 H new ATOM 0 HH11 ARG A 117 20.781 27.453 -3.037 1.00 31.03 H new ATOM 0 HH12 ARG A 117 21.119 28.973 -3.871 1.00 31.03 H new ATOM 0 HH21 ARG A 117 17.814 29.384 -5.031 1.00 5.13 H new ATOM 0 HH22 ARG A 117 19.445 30.063 -4.997 1.00 5.13 H new ATOM 328 N PHE A 118 20.706 25.040 0.090 1.00 11.13 N ATOM 329 CA PHE A 118 20.639 25.836 1.311 1.00 73.45 C ATOM 330 C PHE A 118 19.334 26.625 1.375 1.00 62.42 C ATOM 331 O PHE A 118 18.569 26.503 2.330 1.00 12.25 O ATOM 332 CB PHE A 118 21.831 26.792 1.386 1.00 3.43 C ATOM 333 CG PHE A 118 23.149 26.095 1.565 1.00 25.31 C ATOM 334 CD1 PHE A 118 23.455 25.458 2.757 1.00 2.24 C ATOM 335 CD2 PHE A 118 24.081 26.074 0.540 1.00 21.30 C ATOM 336 CE1 PHE A 118 24.667 24.816 2.924 1.00 1.33 C ATOM 337 CE2 PHE A 118 25.296 25.433 0.702 1.00 51.01 C ATOM 338 CZ PHE A 118 25.588 24.803 1.894 1.00 21.34 C ATOM 0 H PHE A 118 21.620 25.037 -0.362 1.00 11.13 H new ATOM 0 HA PHE A 118 20.673 25.156 2.162 1.00 73.45 H new ATOM 0 HB2 PHE A 118 21.866 27.389 0.474 1.00 3.43 H new ATOM 0 HB3 PHE A 118 21.680 27.484 2.214 1.00 3.43 H new ATOM 0 HD1 PHE A 118 22.738 25.463 3.565 1.00 2.24 H new ATOM 0 HD2 PHE A 118 23.856 26.564 -0.396 1.00 21.30 H new ATOM 0 HE1 PHE A 118 24.894 24.325 3.859 1.00 1.33 H new ATOM 0 HE2 PHE A 118 26.015 25.426 -0.104 1.00 51.01 H new ATOM 0 HZ PHE A 118 26.535 24.300 2.022 1.00 21.34 H new ATOM 348 N PHE A 119 19.089 27.436 0.350 1.00 33.51 N ATOM 349 CA PHE A 119 17.878 28.246 0.290 1.00 2.21 C ATOM 350 C PHE A 119 16.644 27.404 0.599 1.00 72.13 C ATOM 351 O PHE A 119 15.781 27.811 1.377 1.00 23.25 O ATOM 352 CB PHE A 119 17.739 28.890 -1.091 1.00 13.12 C ATOM 353 CG PHE A 119 17.099 30.249 -1.057 1.00 23.24 C ATOM 354 CD1 PHE A 119 17.615 31.252 -0.251 1.00 64.44 C ATOM 355 CD2 PHE A 119 15.983 30.524 -1.831 1.00 24.43 C ATOM 356 CE1 PHE A 119 17.028 32.502 -0.218 1.00 12.24 C ATOM 357 CE2 PHE A 119 15.393 31.773 -1.801 1.00 15.20 C ATOM 358 CZ PHE A 119 15.916 32.764 -0.994 1.00 41.22 C ATOM 0 H PHE A 119 19.713 27.549 -0.449 1.00 33.51 H new ATOM 0 HA PHE A 119 17.957 29.030 1.043 1.00 2.21 H new ATOM 0 HB2 PHE A 119 18.726 28.973 -1.545 1.00 13.12 H new ATOM 0 HB3 PHE A 119 17.148 28.235 -1.731 1.00 13.12 H new ATOM 0 HD1 PHE A 119 18.485 31.054 0.357 1.00 64.44 H new ATOM 0 HD2 PHE A 119 15.570 29.753 -2.465 1.00 24.43 H new ATOM 0 HE1 PHE A 119 17.439 33.275 0.415 1.00 12.24 H new ATOM 0 HE2 PHE A 119 14.523 31.974 -2.409 1.00 15.20 H new ATOM 0 HZ PHE A 119 15.457 33.741 -0.970 1.00 41.22 H new ATOM 368 N ARG A 120 16.568 26.229 -0.017 1.00 72.15 N ATOM 369 CA ARG A 120 15.439 25.330 0.189 1.00 33.01 C ATOM 370 C ARG A 120 14.141 25.964 -0.306 1.00 70.23 C ATOM 371 O ARG A 120 13.049 25.536 0.066 1.00 51.03 O ATOM 372 CB ARG A 120 15.309 24.971 1.671 1.00 64.42 C ATOM 373 CG ARG A 120 15.778 23.562 1.999 1.00 35.01 C ATOM 374 CD ARG A 120 14.876 22.514 1.364 1.00 44.44 C ATOM 375 NE ARG A 120 13.871 22.019 2.299 1.00 35.11 N ATOM 376 CZ ARG A 120 14.115 21.092 3.219 1.00 75.23 C ATOM 377 NH1 ARG A 120 15.326 20.564 3.326 1.00 34.13 N ATOM 378 NH2 ARG A 120 13.146 20.693 4.033 1.00 3.34 N ATOM 0 H ARG A 120 17.275 25.877 -0.663 1.00 72.15 H new ATOM 0 HA ARG A 120 15.622 24.421 -0.384 1.00 33.01 H new ATOM 0 HB2 ARG A 120 15.886 25.684 2.261 1.00 64.42 H new ATOM 0 HB3 ARG A 120 14.267 25.077 1.972 1.00 64.42 H new ATOM 0 HG2 ARG A 120 16.800 23.426 1.646 1.00 35.01 H new ATOM 0 HG3 ARG A 120 15.793 23.424 3.080 1.00 35.01 H new ATOM 0 HD2 ARG A 120 14.381 22.942 0.492 1.00 44.44 H new ATOM 0 HD3 ARG A 120 15.482 21.681 1.009 1.00 44.44 H new ATOM 0 HE ARG A 120 12.929 22.406 2.243 1.00 35.11 H new ATOM 0 HH11 ARG A 120 16.072 20.869 2.701 1.00 34.13 H new ATOM 0 HH12 ARG A 120 15.511 19.852 4.033 1.00 34.13 H new ATOM 0 HH21 ARG A 120 12.213 21.098 3.953 1.00 3.34 H new ATOM 0 HH22 ARG A 120 13.334 19.981 4.739 1.00 3.34 H new ATOM 392 N SER A 121 14.271 26.986 -1.146 1.00 2.23 N ATOM 393 CA SER A 121 13.109 27.681 -1.688 1.00 45.13 C ATOM 394 C SER A 121 13.059 27.549 -3.207 1.00 52.13 C ATOM 395 O SER A 121 11.993 27.652 -3.815 1.00 21.34 O ATOM 396 CB SER A 121 13.144 29.159 -1.295 1.00 0.12 C ATOM 397 OG SER A 121 11.937 29.545 -0.658 1.00 42.32 O ATOM 0 H SER A 121 15.168 27.351 -1.466 1.00 2.23 H new ATOM 0 HA SER A 121 12.213 27.222 -1.270 1.00 45.13 H new ATOM 0 HB2 SER A 121 13.986 29.341 -0.627 1.00 0.12 H new ATOM 0 HB3 SER A 121 13.303 29.771 -2.183 1.00 0.12 H new ATOM 0 HG SER A 121 11.984 30.493 -0.415 1.00 42.32 H new ATOM 403 N ALA A 122 14.219 27.320 -3.814 1.00 54.35 N ATOM 404 CA ALA A 122 14.306 27.172 -5.262 1.00 63.35 C ATOM 405 C ALA A 122 14.875 25.808 -5.640 1.00 71.13 C ATOM 406 O ALA A 122 15.982 25.710 -6.171 1.00 53.32 O ATOM 407 CB ALA A 122 15.159 28.283 -5.855 1.00 54.41 C ATOM 0 H ALA A 122 15.111 27.233 -3.326 1.00 54.35 H new ATOM 0 HA ALA A 122 13.298 27.244 -5.672 1.00 63.35 H new ATOM 0 HB1 ALA A 122 15.216 28.160 -6.937 1.00 54.41 H new ATOM 0 HB2 ALA A 122 14.711 29.249 -5.622 1.00 54.41 H new ATOM 0 HB3 ALA A 122 16.162 28.237 -5.432 1.00 54.41 H new ATOM 413 N CYS A 123 14.110 24.757 -5.364 1.00 31.42 N ATOM 414 CA CYS A 123 14.537 23.398 -5.674 1.00 64.30 C ATOM 415 C CYS A 123 14.398 23.111 -7.166 1.00 41.53 C ATOM 416 O CYS A 123 13.629 23.769 -7.867 1.00 30.45 O ATOM 417 CB CYS A 123 13.716 22.387 -4.871 1.00 62.01 C ATOM 418 SG CYS A 123 13.582 22.779 -3.097 1.00 4.51 S ATOM 0 H CYS A 123 13.191 24.821 -4.926 1.00 31.42 H new ATOM 0 HA CYS A 123 15.588 23.303 -5.400 1.00 64.30 H new ATOM 0 HB2 CYS A 123 12.714 22.329 -5.296 1.00 62.01 H new ATOM 0 HB3 CYS A 123 14.166 21.400 -4.981 1.00 62.01 H new ATOM 423 N TYR A 124 15.149 22.126 -7.646 1.00 34.33 N ATOM 424 CA TYR A 124 15.112 21.752 -9.054 1.00 51.43 C ATOM 425 C TYR A 124 15.329 20.253 -9.228 1.00 32.35 C ATOM 426 O TYR A 124 15.890 19.589 -8.354 1.00 15.42 O ATOM 427 CB TYR A 124 16.174 22.527 -9.836 1.00 64.34 C ATOM 428 CG TYR A 124 17.426 22.813 -9.037 1.00 30.32 C ATOM 429 CD1 TYR A 124 18.326 21.799 -8.732 1.00 44.15 C ATOM 430 CD2 TYR A 124 17.708 24.096 -8.587 1.00 53.13 C ATOM 431 CE1 TYR A 124 19.470 22.057 -8.002 1.00 25.21 C ATOM 432 CE2 TYR A 124 18.850 24.363 -7.857 1.00 42.21 C ATOM 433 CZ TYR A 124 19.728 23.340 -7.567 1.00 32.12 C ATOM 434 OH TYR A 124 20.867 23.599 -6.839 1.00 54.45 O ATOM 0 H TYR A 124 15.791 21.572 -7.080 1.00 34.33 H new ATOM 0 HA TYR A 124 14.126 22.004 -9.444 1.00 51.43 H new ATOM 0 HB2 TYR A 124 16.443 21.960 -10.727 1.00 64.34 H new ATOM 0 HB3 TYR A 124 15.747 23.470 -10.176 1.00 64.34 H new ATOM 0 HD1 TYR A 124 18.128 20.793 -9.071 1.00 44.15 H new ATOM 0 HD2 TYR A 124 17.022 24.900 -8.812 1.00 53.13 H new ATOM 0 HE1 TYR A 124 20.159 21.258 -7.773 1.00 25.21 H new ATOM 0 HE2 TYR A 124 19.054 25.367 -7.515 1.00 42.21 H new ATOM 0 HH TYR A 124 20.900 24.551 -6.611 1.00 54.45 H new ATOM 444 N CYS A 125 14.881 19.723 -10.361 1.00 32.33 N ATOM 445 CA CYS A 125 15.024 18.301 -10.650 1.00 50.43 C ATOM 446 C CYS A 125 16.476 17.956 -10.972 1.00 34.15 C ATOM 447 O CYS A 125 16.905 18.043 -12.122 1.00 60.12 O ATOM 448 CB CYS A 125 14.123 17.905 -11.821 1.00 65.35 C ATOM 449 SG CYS A 125 12.573 17.087 -11.323 1.00 70.11 S ATOM 0 H CYS A 125 14.415 20.257 -11.095 1.00 32.33 H new ATOM 0 HA CYS A 125 14.723 17.742 -9.764 1.00 50.43 H new ATOM 0 HB2 CYS A 125 13.881 18.798 -12.398 1.00 65.35 H new ATOM 0 HB3 CYS A 125 14.677 17.239 -12.482 1.00 65.35 H new ATOM 454 N ARG A 126 17.226 17.564 -9.946 1.00 54.31 N ATOM 455 CA ARG A 126 18.629 17.207 -10.119 1.00 34.31 C ATOM 456 C ARG A 126 18.816 15.694 -10.051 1.00 20.14 C ATOM 457 O ARG A 126 18.290 15.033 -9.154 1.00 64.23 O ATOM 458 CB ARG A 126 19.485 17.886 -9.049 1.00 14.12 C ATOM 459 CG ARG A 126 20.978 17.687 -9.247 1.00 64.41 C ATOM 460 CD ARG A 126 21.786 18.714 -8.469 1.00 51.11 C ATOM 461 NE ARG A 126 22.135 19.871 -9.290 1.00 64.51 N ATOM 462 CZ ARG A 126 23.147 19.882 -10.152 1.00 74.51 C ATOM 463 NH1 ARG A 126 23.902 18.803 -10.306 1.00 1.20 N ATOM 464 NH2 ARG A 126 23.402 20.973 -10.863 1.00 20.21 N ATOM 0 H ARG A 126 16.885 17.486 -8.988 1.00 54.31 H new ATOM 0 HA ARG A 126 18.948 17.552 -11.103 1.00 34.31 H new ATOM 0 HB2 ARG A 126 19.267 18.954 -9.045 1.00 14.12 H new ATOM 0 HB3 ARG A 126 19.202 17.499 -8.070 1.00 14.12 H new ATOM 0 HG2 ARG A 126 21.258 16.684 -8.926 1.00 64.41 H new ATOM 0 HG3 ARG A 126 21.218 17.761 -10.308 1.00 64.41 H new ATOM 0 HD2 ARG A 126 21.214 19.044 -7.602 1.00 51.11 H new ATOM 0 HD3 ARG A 126 22.697 18.249 -8.092 1.00 51.11 H new ATOM 0 HE ARG A 126 21.572 20.716 -9.197 1.00 64.51 H new ATOM 0 HH11 ARG A 126 23.707 17.962 -9.763 1.00 1.20 H new ATOM 0 HH12 ARG A 126 24.678 18.814 -10.968 1.00 1.20 H new ATOM 0 HH21 ARG A 126 22.821 21.804 -10.748 1.00 20.21 H new ATOM 0 HH22 ARG A 126 24.179 20.981 -11.524 1.00 20.21 H new ATOM 478 N VAL A 127 19.568 15.152 -11.003 1.00 54.53 N ATOM 479 CA VAL A 127 19.825 13.718 -11.051 1.00 2.22 C ATOM 480 C VAL A 127 20.926 13.325 -10.072 1.00 72.35 C ATOM 481 O VAL A 127 22.071 13.758 -10.201 1.00 31.01 O ATOM 482 CB VAL A 127 20.228 13.267 -12.468 1.00 54.51 C ATOM 483 CG1 VAL A 127 19.042 13.358 -13.415 1.00 73.01 C ATOM 484 CG2 VAL A 127 21.394 14.099 -12.979 1.00 70.14 C ATOM 0 H VAL A 127 20.010 15.685 -11.752 1.00 54.53 H new ATOM 0 HA VAL A 127 18.897 13.220 -10.770 1.00 2.22 H new ATOM 0 HB VAL A 127 20.546 12.225 -12.423 1.00 54.51 H new ATOM 0 HG11 VAL A 127 19.346 13.035 -14.411 1.00 73.01 H new ATOM 0 HG12 VAL A 127 18.239 12.715 -13.055 1.00 73.01 H new ATOM 0 HG13 VAL A 127 18.690 14.389 -13.459 1.00 73.01 H new ATOM 0 HG21 VAL A 127 21.666 13.767 -13.981 1.00 70.14 H new ATOM 0 HG22 VAL A 127 21.105 15.150 -13.010 1.00 70.14 H new ATOM 0 HG23 VAL A 127 22.248 13.977 -12.312 1.00 70.14 H new ATOM 494 N LEU A 128 20.571 12.500 -9.093 1.00 24.43 N ATOM 495 CA LEU A 128 21.530 12.046 -8.091 1.00 31.12 C ATOM 496 C LEU A 128 21.896 10.582 -8.312 1.00 5.15 C ATOM 497 O LEU A 128 22.308 9.888 -7.382 1.00 71.45 O ATOM 498 CB LEU A 128 20.954 12.233 -6.686 1.00 25.44 C ATOM 499 CG LEU A 128 20.368 13.610 -6.379 1.00 0.30 C ATOM 500 CD1 LEU A 128 19.020 13.474 -5.686 1.00 4.33 C ATOM 501 CD2 LEU A 128 21.330 14.422 -5.524 1.00 32.03 C ATOM 0 H LEU A 128 19.627 12.132 -8.971 1.00 24.43 H new ATOM 0 HA LEU A 128 22.435 12.646 -8.190 1.00 31.12 H new ATOM 0 HB2 LEU A 128 20.175 11.486 -6.532 1.00 25.44 H new ATOM 0 HB3 LEU A 128 21.742 12.026 -5.962 1.00 25.44 H new ATOM 0 HG LEU A 128 20.218 14.138 -7.321 1.00 0.30 H new ATOM 0 HD11 LEU A 128 18.618 14.465 -5.475 1.00 4.33 H new ATOM 0 HD12 LEU A 128 18.331 12.933 -6.334 1.00 4.33 H new ATOM 0 HD13 LEU A 128 19.145 12.927 -4.752 1.00 4.33 H new ATOM 0 HD21 LEU A 128 20.895 15.400 -5.316 1.00 32.03 H new ATOM 0 HD22 LEU A 128 21.513 13.899 -4.585 1.00 32.03 H new ATOM 0 HD23 LEU A 128 22.272 14.550 -6.058 1.00 32.03 H new ATOM 513 N SER A 129 21.746 10.120 -9.549 1.00 65.24 N ATOM 514 CA SER A 129 22.061 8.738 -9.893 1.00 34.41 C ATOM 515 C SER A 129 23.438 8.639 -10.542 1.00 54.23 C ATOM 516 O SER A 129 24.154 7.654 -10.361 1.00 34.31 O ATOM 517 CB SER A 129 20.998 8.169 -10.834 1.00 40.43 C ATOM 518 OG SER A 129 19.698 8.329 -10.293 1.00 0.22 O ATOM 0 H SER A 129 21.408 10.682 -10.330 1.00 65.24 H new ATOM 0 HA SER A 129 22.071 8.154 -8.973 1.00 34.41 H new ATOM 0 HB2 SER A 129 21.057 8.670 -11.800 1.00 40.43 H new ATOM 0 HB3 SER A 129 21.194 7.111 -11.011 1.00 40.43 H new ATOM 0 HG SER A 129 19.037 7.959 -10.915 1.00 0.22 H new ATOM 524 N LEU A 130 23.802 9.666 -11.301 1.00 11.44 N ATOM 525 CA LEU A 130 25.093 9.697 -11.979 1.00 45.32 C ATOM 526 C LEU A 130 25.242 8.507 -12.920 1.00 70.44 C ATOM 527 O LEU A 130 26.355 8.085 -13.233 1.00 13.23 O ATOM 528 CB LEU A 130 26.230 9.698 -10.956 1.00 31.45 C ATOM 529 CG LEU A 130 26.214 10.838 -9.936 1.00 31.50 C ATOM 530 CD1 LEU A 130 27.043 10.473 -8.715 1.00 65.40 C ATOM 531 CD2 LEU A 130 26.727 12.124 -10.567 1.00 22.50 C ATOM 0 H LEU A 130 23.221 10.489 -11.463 1.00 11.44 H new ATOM 0 HA LEU A 130 25.143 10.612 -12.569 1.00 45.32 H new ATOM 0 HB2 LEU A 130 26.206 8.752 -10.415 1.00 31.45 H new ATOM 0 HB3 LEU A 130 27.177 9.733 -11.495 1.00 31.45 H new ATOM 0 HG LEU A 130 25.185 10.999 -9.615 1.00 31.50 H new ATOM 0 HD11 LEU A 130 27.020 11.296 -8.000 1.00 65.40 H new ATOM 0 HD12 LEU A 130 26.631 9.577 -8.250 1.00 65.40 H new ATOM 0 HD13 LEU A 130 28.073 10.284 -9.018 1.00 65.40 H new ATOM 0 HD21 LEU A 130 26.709 12.925 -9.828 1.00 22.50 H new ATOM 0 HD22 LEU A 130 27.749 11.976 -10.916 1.00 22.50 H new ATOM 0 HD23 LEU A 130 26.091 12.394 -11.410 1.00 22.50 H new ATOM 543 N ASN A 131 24.113 7.971 -13.372 1.00 11.11 N ATOM 544 CA ASN A 131 24.118 6.829 -14.280 1.00 14.23 C ATOM 545 C ASN A 131 23.379 7.159 -15.573 1.00 50.54 C ATOM 546 O ASN A 131 23.750 6.693 -16.651 1.00 3.42 O ATOM 547 CB ASN A 131 23.475 5.614 -13.608 1.00 43.11 C ATOM 548 CG ASN A 131 24.422 4.912 -12.655 1.00 1.14 C ATOM 549 OD1 ASN A 131 24.628 5.358 -11.526 1.00 44.32 O ATOM 550 ND2 ASN A 131 25.004 3.806 -13.106 1.00 52.31 N ATOM 0 H ASN A 131 23.183 8.309 -13.125 1.00 11.11 H new ATOM 0 HA ASN A 131 25.154 6.595 -14.524 1.00 14.23 H new ATOM 0 HB2 ASN A 131 22.586 5.932 -13.064 1.00 43.11 H new ATOM 0 HB3 ASN A 131 23.146 4.911 -14.373 1.00 43.11 H new ATOM 0 HD21 ASN A 131 25.651 3.290 -12.509 1.00 52.31 H new ATOM 0 HD22 ASN A 131 24.804 3.473 -14.049 1.00 52.31 H new ATOM 557 N CYS A 132 22.331 7.968 -15.459 1.00 51.35 N ATOM 558 CA CYS A 132 21.539 8.362 -16.618 1.00 40.44 C ATOM 559 C CYS A 132 22.213 9.505 -17.374 1.00 72.45 C ATOM 560 O CYS A 132 22.626 9.341 -18.523 1.00 40.11 O ATOM 561 CB CYS A 132 20.134 8.784 -16.183 1.00 11.51 C ATOM 562 SG CYS A 132 19.303 7.585 -15.091 1.00 53.33 S ATOM 0 H CYS A 132 22.010 8.364 -14.575 1.00 51.35 H new ATOM 0 HA CYS A 132 21.463 7.502 -17.284 1.00 40.44 H new ATOM 0 HB2 CYS A 132 20.197 9.744 -15.670 1.00 11.51 H new ATOM 0 HB3 CYS A 132 19.521 8.937 -17.071 1.00 11.51 H new