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 -31:sc= 0.14! USER MOD Single : A 98 ASN : amide:sc= -0.0175 K(o=-0.017,f=-0.76) 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 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 :FLIP amide:sc= 1.21 F(o=-0.2,f=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.418 20.913 -20.255 1.00 65.03 N ATOM 2 CA CYS A 93 8.721 20.557 -18.874 1.00 10.32 C ATOM 3 C CYS A 93 10.135 20.990 -18.498 1.00 42.33 C ATOM 4 O CYS A 93 10.835 21.618 -19.291 1.00 42.33 O ATOM 5 CB CYS A 93 8.566 19.049 -18.668 1.00 70.43 C ATOM 6 SG CYS A 93 9.277 18.038 -20.006 1.00 40.45 S ATOM 0 HA CYS A 93 8.016 21.080 -18.228 1.00 10.32 H new ATOM 0 HB2 CYS A 93 9.040 18.771 -17.726 1.00 70.43 H new ATOM 0 HB3 CYS A 93 7.506 18.813 -18.573 1.00 70.43 H new ATOM 11 N VAL A 94 10.549 20.649 -17.282 1.00 52.21 N ATOM 12 CA VAL A 94 11.879 21.001 -16.800 1.00 24.33 C ATOM 13 C VAL A 94 12.914 19.975 -17.248 1.00 65.35 C ATOM 14 O VAL A 94 12.730 18.772 -17.069 1.00 75.05 O ATOM 15 CB VAL A 94 11.910 21.107 -15.264 1.00 24.31 C ATOM 16 CG1 VAL A 94 13.317 20.857 -14.739 1.00 75.32 C ATOM 17 CG2 VAL A 94 11.398 22.467 -14.814 1.00 23.41 C ATOM 0 H VAL A 94 9.982 20.129 -16.612 1.00 52.21 H new ATOM 0 HA VAL A 94 12.124 21.973 -17.229 1.00 24.33 H new ATOM 0 HB VAL A 94 11.253 20.342 -14.851 1.00 24.31 H new ATOM 0 HG11 VAL A 94 13.319 20.936 -13.652 1.00 75.32 H new ATOM 0 HG12 VAL A 94 13.642 19.858 -15.031 1.00 75.32 H new ATOM 0 HG13 VAL A 94 13.999 21.597 -15.158 1.00 75.32 H new ATOM 0 HG21 VAL A 94 11.427 22.525 -13.726 1.00 23.41 H new ATOM 0 HG22 VAL A 94 12.028 23.251 -15.236 1.00 23.41 H new ATOM 0 HG23 VAL A 94 10.372 22.602 -15.157 1.00 23.41 H new ATOM 27 N ALA A 95 14.006 20.461 -17.832 1.00 62.45 N ATOM 28 CA ALA A 95 15.073 19.586 -18.304 1.00 51.15 C ATOM 29 C ALA A 95 15.909 19.064 -17.142 1.00 3.31 C ATOM 30 O ALA A 95 15.912 17.868 -16.851 1.00 71.33 O ATOM 31 CB ALA A 95 15.954 20.321 -19.304 1.00 13.04 C ATOM 0 H ALA A 95 14.174 21.455 -17.989 1.00 62.45 H new ATOM 0 HA ALA A 95 14.615 18.730 -18.800 1.00 51.15 H new ATOM 0 HB1 ALA A 95 16.746 19.656 -19.648 1.00 13.04 H new ATOM 0 HB2 ALA A 95 15.352 20.639 -20.155 1.00 13.04 H new ATOM 0 HB3 ALA A 95 16.396 21.195 -18.826 1.00 13.04 H new ATOM 37 N THR A 96 16.622 19.970 -16.477 1.00 53.00 N ATOM 38 CA THR A 96 17.464 19.601 -15.347 1.00 51.23 C ATOM 39 C THR A 96 17.831 20.823 -14.513 1.00 32.54 C ATOM 40 O THR A 96 17.979 21.926 -15.041 1.00 61.30 O ATOM 41 CB THR A 96 18.757 18.905 -15.814 1.00 14.54 C ATOM 42 OG1 THR A 96 18.454 17.934 -16.820 1.00 71.43 O ATOM 43 CG2 THR A 96 19.461 18.232 -14.646 1.00 34.43 C ATOM 0 H THR A 96 16.632 20.965 -16.703 1.00 53.00 H new ATOM 0 HA THR A 96 16.887 18.907 -14.736 1.00 51.23 H new ATOM 0 HB THR A 96 19.422 19.662 -16.230 1.00 14.54 H new ATOM 0 HG1 THR A 96 17.558 17.569 -16.663 1.00 71.43 H new ATOM 0 HG21 THR A 96 20.371 17.747 -15.000 1.00 34.43 H new ATOM 0 HG22 THR A 96 19.717 18.980 -13.895 1.00 34.43 H new ATOM 0 HG23 THR A 96 18.801 17.486 -14.204 1.00 34.43 H new ATOM 51 N ARG A 97 17.978 20.620 -13.208 1.00 12.45 N ATOM 52 CA ARG A 97 18.327 21.706 -12.300 1.00 54.42 C ATOM 53 C ARG A 97 17.617 22.997 -12.698 1.00 22.01 C ATOM 54 O ARG A 97 18.209 24.075 -12.676 1.00 22.34 O ATOM 55 CB ARG A 97 19.841 21.926 -12.292 1.00 31.04 C ATOM 56 CG ARG A 97 20.382 22.486 -13.597 1.00 72.22 C ATOM 57 CD ARG A 97 20.872 21.379 -14.518 1.00 14.14 C ATOM 58 NE ARG A 97 22.175 21.687 -15.099 1.00 11.23 N ATOM 59 CZ ARG A 97 22.971 20.774 -15.644 1.00 40.34 C ATOM 60 NH1 ARG A 97 22.597 19.503 -15.683 1.00 65.04 N ATOM 61 NH2 ARG A 97 24.143 21.133 -16.153 1.00 64.21 N ATOM 0 H ARG A 97 17.861 19.713 -12.756 1.00 12.45 H new ATOM 0 HA ARG A 97 18.002 21.427 -11.298 1.00 54.42 H new ATOM 0 HB2 ARG A 97 20.096 22.607 -11.481 1.00 31.04 H new ATOM 0 HB3 ARG A 97 20.336 20.978 -12.080 1.00 31.04 H new ATOM 0 HG2 ARG A 97 19.603 23.060 -14.099 1.00 72.22 H new ATOM 0 HG3 ARG A 97 21.200 23.175 -13.387 1.00 72.22 H new ATOM 0 HD2 ARG A 97 20.936 20.445 -13.960 1.00 14.14 H new ATOM 0 HD3 ARG A 97 20.146 21.224 -15.317 1.00 14.14 H new ATOM 0 HE ARG A 97 22.492 22.657 -15.086 1.00 11.23 H new ATOM 0 HH11 ARG A 97 21.696 19.224 -15.294 1.00 65.04 H new ATOM 0 HH12 ARG A 97 23.210 18.804 -16.102 1.00 65.04 H new ATOM 0 HH21 ARG A 97 24.433 22.111 -16.126 1.00 64.21 H new ATOM 0 HH22 ARG A 97 24.754 20.431 -16.571 1.00 64.21 H new ATOM 75 N ASN A 98 16.344 22.879 -13.063 1.00 20.25 N ATOM 76 CA ASN A 98 15.554 24.035 -13.468 1.00 1.12 C ATOM 77 C ASN A 98 14.614 24.470 -12.348 1.00 1.04 C ATOM 78 O ASN A 98 14.794 25.531 -11.748 1.00 60.31 O ATOM 79 CB ASN A 98 14.749 23.714 -14.729 1.00 22.35 C ATOM 80 CG ASN A 98 14.580 24.922 -15.630 1.00 32.52 C ATOM 81 OD1 ASN A 98 14.662 26.064 -15.178 1.00 0.42 O ATOM 82 ND2 ASN A 98 14.342 24.674 -16.912 1.00 42.05 N ATOM 0 H ASN A 98 15.838 21.994 -13.086 1.00 20.25 H new ATOM 0 HA ASN A 98 16.240 24.855 -13.683 1.00 1.12 H new ATOM 0 HB2 ASN A 98 15.248 22.918 -15.282 1.00 22.35 H new ATOM 0 HB3 ASN A 98 13.767 23.337 -14.444 1.00 22.35 H new ATOM 0 HD21 ASN A 98 14.219 25.447 -17.567 1.00 42.05 H new ATOM 0 HD22 ASN A 98 14.282 23.711 -17.243 1.00 42.05 H new ATOM 89 N SER A 99 13.611 23.644 -12.071 1.00 32.13 N ATOM 90 CA SER A 99 12.639 23.944 -11.025 1.00 20.12 C ATOM 91 C SER A 99 11.991 22.666 -10.502 1.00 33.11 C ATOM 92 O SER A 99 11.793 21.707 -11.249 1.00 35.14 O ATOM 93 CB SER A 99 11.564 24.894 -11.555 1.00 43.32 C ATOM 94 OG SER A 99 10.353 24.748 -10.834 1.00 70.14 O ATOM 0 H SER A 99 13.449 22.761 -12.556 1.00 32.13 H new ATOM 0 HA SER A 99 13.166 24.426 -10.202 1.00 20.12 H new ATOM 0 HB2 SER A 99 11.914 25.923 -11.479 1.00 43.32 H new ATOM 0 HB3 SER A 99 11.388 24.695 -12.612 1.00 43.32 H new ATOM 0 HG SER A 99 9.683 25.367 -11.191 1.00 70.14 H new ATOM 100 N CYS A 100 11.663 22.660 -9.214 1.00 41.12 N ATOM 101 CA CYS A 100 11.037 21.501 -8.590 1.00 24.33 C ATOM 102 C CYS A 100 9.532 21.706 -8.447 1.00 64.44 C ATOM 103 O CYS A 100 8.963 22.632 -9.025 1.00 50.40 O ATOM 104 CB CYS A 100 11.659 21.239 -7.216 1.00 12.00 C ATOM 105 SG CYS A 100 12.740 19.773 -7.156 1.00 54.03 S ATOM 0 H CYS A 100 11.821 23.445 -8.582 1.00 41.12 H new ATOM 0 HA CYS A 100 11.209 20.637 -9.232 1.00 24.33 H new ATOM 0 HB2 CYS A 100 12.235 22.115 -6.917 1.00 12.00 H new ATOM 0 HB3 CYS A 100 10.860 21.118 -6.484 1.00 12.00 H new ATOM 110 N LYS A 101 8.893 20.834 -7.676 1.00 15.23 N ATOM 111 CA LYS A 101 7.453 20.918 -7.455 1.00 43.14 C ATOM 112 C LYS A 101 6.687 20.572 -8.728 1.00 5.31 C ATOM 113 O LYS A 101 6.214 21.447 -9.454 1.00 2.52 O ATOM 114 CB LYS A 101 7.071 22.322 -6.982 1.00 13.30 C ATOM 115 CG LYS A 101 6.493 22.355 -5.578 1.00 63.31 C ATOM 116 CD LYS A 101 7.582 22.239 -4.525 1.00 35.42 C ATOM 117 CE LYS A 101 8.405 23.514 -4.430 1.00 54.15 C ATOM 118 NZ LYS A 101 9.183 23.581 -3.162 1.00 52.13 N ATOM 0 H LYS A 101 9.349 20.060 -7.193 1.00 15.23 H new ATOM 0 HA LYS A 101 7.185 20.196 -6.683 1.00 43.14 H new ATOM 0 HB2 LYS A 101 7.953 22.961 -7.018 1.00 13.30 H new ATOM 0 HB3 LYS A 101 6.344 22.744 -7.675 1.00 13.30 H new ATOM 0 HG2 LYS A 101 5.942 23.284 -5.432 1.00 63.31 H new ATOM 0 HG3 LYS A 101 5.780 21.539 -5.457 1.00 63.31 H new ATOM 0 HD2 LYS A 101 7.131 22.023 -3.556 1.00 35.42 H new ATOM 0 HD3 LYS A 101 8.235 21.401 -4.767 1.00 35.42 H new ATOM 0 HE2 LYS A 101 9.088 23.569 -5.278 1.00 54.15 H new ATOM 0 HE3 LYS A 101 7.744 24.378 -4.496 1.00 54.15 H new ATOM 0 HZ1 LYS A 101 9.730 24.465 -3.137 1.00 52.13 H new ATOM 0 HZ2 LYS A 101 8.531 23.554 -2.353 1.00 52.13 H new ATOM 0 HZ3 LYS A 101 9.832 22.770 -3.110 1.00 52.13 H new ATOM 132 N PRO A 102 6.560 19.267 -9.007 1.00 33.34 N ATOM 133 CA PRO A 102 5.850 18.775 -10.191 1.00 1.43 C ATOM 134 C PRO A 102 4.345 19.003 -10.100 1.00 41.44 C ATOM 135 O PRO A 102 3.571 18.055 -9.976 1.00 35.20 O ATOM 136 CB PRO A 102 6.164 17.277 -10.198 1.00 0.11 C ATOM 137 CG PRO A 102 6.453 16.944 -8.774 1.00 11.12 C ATOM 138 CD PRO A 102 7.098 18.168 -8.186 1.00 5.24 C ATOM 0 HA PRO A 102 6.162 19.293 -11.098 1.00 1.43 H new ATOM 0 HB2 PRO A 102 5.322 16.698 -10.577 1.00 0.11 H new ATOM 0 HB3 PRO A 102 7.018 17.054 -10.838 1.00 0.11 H new ATOM 0 HG2 PRO A 102 5.538 16.690 -8.239 1.00 11.12 H new ATOM 0 HG3 PRO A 102 7.115 16.081 -8.701 1.00 11.12 H new ATOM 0 HD2 PRO A 102 6.842 18.290 -7.134 1.00 5.24 H new ATOM 0 HD3 PRO A 102 8.185 18.117 -8.246 1.00 5.24 H new ATOM 146 N ALA A 103 3.938 20.267 -10.165 1.00 72.44 N ATOM 147 CA ALA A 103 2.524 20.618 -10.093 1.00 43.13 C ATOM 148 C ALA A 103 2.036 21.199 -11.416 1.00 13.05 C ATOM 149 O ALA A 103 1.005 20.783 -11.944 1.00 12.14 O ATOM 150 CB ALA A 103 2.284 21.605 -8.961 1.00 14.35 C ATOM 0 H ALA A 103 4.566 21.064 -10.267 1.00 72.44 H new ATOM 0 HA ALA A 103 1.957 19.708 -9.894 1.00 43.13 H new ATOM 0 HB1 ALA A 103 1.225 21.859 -8.918 1.00 14.35 H new ATOM 0 HB2 ALA A 103 2.588 21.155 -8.016 1.00 14.35 H new ATOM 0 HB3 ALA A 103 2.867 22.509 -9.137 1.00 14.35 H new ATOM 156 N ALA A 104 2.782 22.163 -11.946 1.00 31.54 N ATOM 157 CA ALA A 104 2.423 22.798 -13.207 1.00 45.53 C ATOM 158 C ALA A 104 2.914 21.977 -14.395 1.00 2.23 C ATOM 159 O ALA A 104 2.759 22.381 -15.547 1.00 43.01 O ATOM 160 CB ALA A 104 2.993 24.208 -13.268 1.00 41.41 C ATOM 0 H ALA A 104 3.638 22.521 -11.522 1.00 31.54 H new ATOM 0 HA ALA A 104 1.336 22.853 -13.261 1.00 45.53 H new ATOM 0 HB1 ALA A 104 2.717 24.671 -14.215 1.00 41.41 H new ATOM 0 HB2 ALA A 104 2.591 24.799 -12.445 1.00 41.41 H new ATOM 0 HB3 ALA A 104 4.079 24.165 -13.188 1.00 41.41 H new ATOM 166 N ALA A 105 3.507 20.823 -14.106 1.00 15.33 N ATOM 167 CA ALA A 105 4.017 19.944 -15.150 1.00 43.11 C ATOM 168 C ALA A 105 5.368 20.432 -15.665 1.00 75.53 C ATOM 169 O ALA A 105 5.565 20.585 -16.870 1.00 70.44 O ATOM 170 CB ALA A 105 3.019 19.847 -16.294 1.00 62.25 C ATOM 0 H ALA A 105 3.646 20.476 -13.157 1.00 15.33 H new ATOM 0 HA ALA A 105 4.156 18.952 -14.720 1.00 43.11 H new ATOM 0 HB1 ALA A 105 3.414 19.187 -17.066 1.00 62.25 H new ATOM 0 HB2 ALA A 105 2.076 19.446 -15.921 1.00 62.25 H new ATOM 0 HB3 ALA A 105 2.851 20.838 -16.715 1.00 62.25 H new ATOM 176 N ALA A 106 6.294 20.674 -14.744 1.00 42.12 N ATOM 177 CA ALA A 106 7.626 21.143 -15.105 1.00 63.02 C ATOM 178 C ALA A 106 8.706 20.281 -14.459 1.00 14.11 C ATOM 179 O ALA A 106 9.445 20.743 -13.589 1.00 61.04 O ATOM 180 CB ALA A 106 7.801 22.599 -14.704 1.00 0.43 C ATOM 0 H ALA A 106 6.147 20.553 -13.742 1.00 42.12 H new ATOM 0 HA ALA A 106 7.731 21.061 -16.187 1.00 63.02 H new ATOM 0 HB1 ALA A 106 8.801 22.935 -14.980 1.00 0.43 H new ATOM 0 HB2 ALA A 106 7.058 23.210 -15.218 1.00 0.43 H new ATOM 0 HB3 ALA A 106 7.670 22.698 -13.626 1.00 0.43 H new ATOM 186 N CYS A 107 8.792 19.026 -14.888 1.00 53.34 N ATOM 187 CA CYS A 107 9.779 18.099 -14.352 1.00 1.35 C ATOM 188 C CYS A 107 9.599 16.706 -14.948 1.00 21.33 C ATOM 189 O CYS A 107 9.070 15.804 -14.298 1.00 20.02 O ATOM 190 CB CYS A 107 9.669 18.031 -12.826 1.00 63.25 C ATOM 191 SG CYS A 107 11.143 18.640 -11.947 1.00 4.02 S ATOM 0 H CYS A 107 8.188 18.628 -15.607 1.00 53.34 H new ATOM 0 HA CYS A 107 10.769 18.465 -14.623 1.00 1.35 H new ATOM 0 HB2 CYS A 107 8.804 18.613 -12.508 1.00 63.25 H new ATOM 0 HB3 CYS A 107 9.484 16.998 -12.531 1.00 63.25 H new ATOM 196 N CYS A 108 10.043 16.539 -16.189 1.00 73.30 N ATOM 197 CA CYS A 108 9.931 15.257 -16.875 1.00 44.21 C ATOM 198 C CYS A 108 11.267 14.519 -16.869 1.00 21.34 C ATOM 199 O CYS A 108 11.797 14.165 -17.922 1.00 61.25 O ATOM 200 CB CYS A 108 9.458 15.466 -18.315 1.00 63.45 C ATOM 201 SG CYS A 108 10.482 16.628 -19.274 1.00 74.51 S ATOM 0 H CYS A 108 10.484 17.275 -16.740 1.00 73.30 H new ATOM 0 HA CYS A 108 9.198 14.650 -16.343 1.00 44.21 H new ATOM 0 HB2 CYS A 108 9.446 14.503 -18.825 1.00 63.45 H new ATOM 0 HB3 CYS A 108 8.431 15.831 -18.299 1.00 63.45 H new ATOM 206 N ASP A 109 11.804 14.291 -15.676 1.00 64.33 N ATOM 207 CA ASP A 109 13.077 13.593 -15.531 1.00 73.11 C ATOM 208 C ASP A 109 12.935 12.387 -14.608 1.00 52.02 C ATOM 209 O ASP A 109 13.189 12.461 -13.406 1.00 72.04 O ATOM 210 CB ASP A 109 14.145 14.543 -14.987 1.00 53.25 C ATOM 211 CG ASP A 109 15.542 14.161 -15.435 1.00 11.45 C ATOM 212 OD1 ASP A 109 15.822 12.949 -15.534 1.00 41.13 O ATOM 213 OD2 ASP A 109 16.357 15.075 -15.683 1.00 12.11 O ATOM 0 H ASP A 109 11.378 14.579 -14.795 1.00 64.33 H new ATOM 0 HA ASP A 109 13.383 13.240 -16.516 1.00 73.11 H new ATOM 0 HB2 ASP A 109 13.926 15.559 -15.317 1.00 53.25 H new ATOM 0 HB3 ASP A 109 14.104 14.546 -13.898 1.00 53.25 H new ATOM 218 N PRO A 110 12.516 11.248 -15.182 1.00 53.51 N ATOM 219 CA PRO A 110 12.329 10.005 -14.429 1.00 32.22 C ATOM 220 C PRO A 110 13.652 9.402 -13.968 1.00 63.13 C ATOM 221 O PRO A 110 13.673 8.427 -13.216 1.00 53.34 O ATOM 222 CB PRO A 110 11.642 9.081 -15.437 1.00 20.33 C ATOM 223 CG PRO A 110 12.054 9.600 -16.770 1.00 70.34 C ATOM 224 CD PRO A 110 12.194 11.089 -16.611 1.00 21.45 C ATOM 0 HA PRO A 110 11.756 10.163 -13.515 1.00 32.22 H new ATOM 0 HB2 PRO A 110 11.955 8.046 -15.302 1.00 20.33 H new ATOM 0 HB3 PRO A 110 10.558 9.105 -15.321 1.00 20.33 H new ATOM 0 HG2 PRO A 110 12.995 9.152 -17.089 1.00 70.34 H new ATOM 0 HG3 PRO A 110 11.311 9.357 -17.530 1.00 70.34 H new ATOM 0 HD2 PRO A 110 12.983 11.489 -17.248 1.00 21.45 H new ATOM 0 HD3 PRO A 110 11.274 11.610 -16.877 1.00 21.45 H new ATOM 232 N CYS A 111 14.754 9.987 -14.425 1.00 22.23 N ATOM 233 CA CYS A 111 16.082 9.508 -14.060 1.00 72.14 C ATOM 234 C CYS A 111 16.748 10.454 -13.066 1.00 0.41 C ATOM 235 O CYS A 111 17.881 10.229 -12.641 1.00 14.32 O ATOM 236 CB CYS A 111 16.956 9.364 -15.308 1.00 14.14 C ATOM 237 SG CYS A 111 17.449 7.650 -15.677 1.00 23.44 S ATOM 0 H CYS A 111 14.754 10.794 -15.049 1.00 22.23 H new ATOM 0 HA CYS A 111 15.971 8.532 -13.587 1.00 72.14 H new ATOM 0 HB2 CYS A 111 16.417 9.768 -16.165 1.00 14.14 H new ATOM 0 HB3 CYS A 111 17.853 9.970 -15.182 1.00 14.14 H new ATOM 242 N ALA A 112 16.035 11.514 -12.698 1.00 32.13 N ATOM 243 CA ALA A 112 16.555 12.494 -11.752 1.00 65.21 C ATOM 244 C ALA A 112 15.747 12.491 -10.459 1.00 62.21 C ATOM 245 O ALA A 112 14.906 11.619 -10.243 1.00 72.21 O ATOM 246 CB ALA A 112 16.553 13.882 -12.374 1.00 71.24 C ATOM 0 H ALA A 112 15.096 11.716 -13.041 1.00 32.13 H new ATOM 0 HA ALA A 112 17.581 12.218 -11.510 1.00 65.21 H new ATOM 0 HB1 ALA A 112 16.944 14.603 -11.656 1.00 71.24 H new ATOM 0 HB2 ALA A 112 17.180 13.882 -13.266 1.00 71.24 H new ATOM 0 HB3 ALA A 112 15.534 14.157 -12.646 1.00 71.24 H new ATOM 252 N SER A 113 16.009 13.472 -9.600 1.00 32.50 N ATOM 253 CA SER A 113 15.310 13.579 -8.326 1.00 35.01 C ATOM 254 C SER A 113 15.262 15.029 -7.852 1.00 61.55 C ATOM 255 O SER A 113 16.146 15.826 -8.168 1.00 74.44 O ATOM 256 CB SER A 113 15.992 12.707 -7.270 1.00 60.22 C ATOM 257 OG SER A 113 15.212 12.630 -6.089 1.00 52.14 O ATOM 0 H SER A 113 16.701 14.204 -9.764 1.00 32.50 H new ATOM 0 HA SER A 113 14.288 13.229 -8.471 1.00 35.01 H new ATOM 0 HB2 SER A 113 16.152 11.706 -7.669 1.00 60.22 H new ATOM 0 HB3 SER A 113 16.974 13.117 -7.035 1.00 60.22 H new ATOM 0 HG SER A 113 15.669 12.066 -5.431 1.00 52.14 H new ATOM 263 N CYS A 114 14.225 15.363 -7.091 1.00 24.54 N ATOM 264 CA CYS A 114 14.061 16.715 -6.573 1.00 4.21 C ATOM 265 C CYS A 114 15.136 17.036 -5.538 1.00 30.41 C ATOM 266 O CYS A 114 15.085 16.556 -4.405 1.00 53.32 O ATOM 267 CB CYS A 114 12.673 16.880 -5.950 1.00 30.21 C ATOM 268 SG CYS A 114 12.192 18.611 -5.654 1.00 53.45 S ATOM 0 H CYS A 114 13.486 14.715 -6.820 1.00 24.54 H new ATOM 0 HA CYS A 114 14.164 17.411 -7.406 1.00 4.21 H new ATOM 0 HB2 CYS A 114 11.935 16.416 -6.605 1.00 30.21 H new ATOM 0 HB3 CYS A 114 12.645 16.339 -5.004 1.00 30.21 H new ATOM 273 N TYR A 115 16.108 17.848 -5.936 1.00 52.52 N ATOM 274 CA TYR A 115 17.197 18.232 -5.045 1.00 72.01 C ATOM 275 C TYR A 115 17.078 19.698 -4.639 1.00 42.32 C ATOM 276 O TYR A 115 16.595 20.530 -5.407 1.00 71.24 O ATOM 277 CB TYR A 115 18.547 17.986 -5.720 1.00 20.12 C ATOM 278 CG TYR A 115 19.700 18.689 -5.041 1.00 23.21 C ATOM 279 CD1 TYR A 115 20.278 18.168 -3.890 1.00 73.52 C ATOM 280 CD2 TYR A 115 20.214 19.876 -5.551 1.00 74.24 C ATOM 281 CE1 TYR A 115 21.332 18.807 -3.267 1.00 0.24 C ATOM 282 CE2 TYR A 115 21.267 20.522 -4.935 1.00 62.31 C ATOM 283 CZ TYR A 115 21.823 19.984 -3.793 1.00 24.02 C ATOM 284 OH TYR A 115 22.873 20.623 -3.175 1.00 44.22 O ATOM 0 H TYR A 115 16.165 18.254 -6.870 1.00 52.52 H new ATOM 0 HA TYR A 115 17.131 17.619 -4.146 1.00 72.01 H new ATOM 0 HB2 TYR A 115 18.745 16.914 -5.737 1.00 20.12 H new ATOM 0 HB3 TYR A 115 18.491 18.317 -6.757 1.00 20.12 H new ATOM 0 HD1 TYR A 115 19.896 17.247 -3.475 1.00 73.52 H new ATOM 0 HD2 TYR A 115 19.782 20.300 -6.445 1.00 74.24 H new ATOM 0 HE1 TYR A 115 21.769 18.388 -2.373 1.00 0.24 H new ATOM 0 HE2 TYR A 115 21.653 21.443 -5.345 1.00 62.31 H new ATOM 0 HH TYR A 115 23.099 21.437 -3.672 1.00 44.22 H new ATOM 294 N CYS A 116 17.522 20.007 -3.425 1.00 61.13 N ATOM 295 CA CYS A 116 17.468 21.372 -2.915 1.00 35.41 C ATOM 296 C CYS A 116 18.843 21.830 -2.440 1.00 41.45 C ATOM 297 O CYS A 116 19.703 21.012 -2.114 1.00 0.10 O ATOM 298 CB CYS A 116 16.461 21.468 -1.767 1.00 1.44 C ATOM 299 SG CYS A 116 14.810 20.811 -2.168 1.00 63.20 S ATOM 0 H CYS A 116 17.923 19.330 -2.776 1.00 61.13 H new ATOM 0 HA CYS A 116 17.148 22.025 -3.727 1.00 35.41 H new ATOM 0 HB2 CYS A 116 16.856 20.928 -0.906 1.00 1.44 H new ATOM 0 HB3 CYS A 116 16.362 22.512 -1.471 1.00 1.44 H new ATOM 304 N ARG A 117 19.043 23.144 -2.405 1.00 22.44 N ATOM 305 CA ARG A 117 20.314 23.712 -1.971 1.00 63.12 C ATOM 306 C ARG A 117 20.136 24.534 -0.697 1.00 51.23 C ATOM 307 O ARG A 117 19.073 24.514 -0.077 1.00 30.42 O ATOM 308 CB ARG A 117 20.910 24.585 -3.076 1.00 11.33 C ATOM 309 CG ARG A 117 19.865 25.255 -3.953 1.00 22.51 C ATOM 310 CD ARG A 117 19.099 26.324 -3.191 1.00 11.35 C ATOM 311 NE ARG A 117 19.183 27.628 -3.843 1.00 62.13 N ATOM 312 CZ ARG A 117 18.614 27.903 -5.012 1.00 21.44 C ATOM 313 NH1 ARG A 117 17.922 26.970 -5.651 1.00 64.11 N ATOM 314 NH2 ARG A 117 18.735 29.114 -5.541 1.00 74.44 N ATOM 0 H ARG A 117 18.341 23.835 -2.672 1.00 22.44 H new ATOM 0 HA ARG A 117 20.998 22.890 -1.759 1.00 63.12 H new ATOM 0 HB2 ARG A 117 21.538 25.352 -2.623 1.00 11.33 H new ATOM 0 HB3 ARG A 117 21.558 23.972 -3.702 1.00 11.33 H new ATOM 0 HG2 ARG A 117 20.350 25.702 -4.821 1.00 22.51 H new ATOM 0 HG3 ARG A 117 19.169 24.505 -4.328 1.00 22.51 H new ATOM 0 HD2 ARG A 117 18.053 26.029 -3.105 1.00 11.35 H new ATOM 0 HD3 ARG A 117 19.493 26.399 -2.178 1.00 11.35 H new ATOM 0 HE ARG A 117 19.707 28.368 -3.376 1.00 62.13 H new ATOM 0 HH11 ARG A 117 17.826 26.039 -5.245 1.00 64.11 H new ATOM 0 HH12 ARG A 117 17.486 27.183 -6.548 1.00 64.11 H new ATOM 0 HH21 ARG A 117 19.265 29.834 -5.050 1.00 74.44 H new ATOM 0 HH22 ARG A 117 18.298 29.325 -6.438 1.00 74.44 H new ATOM 328 N PHE A 118 21.183 25.256 -0.314 1.00 1.21 N ATOM 329 CA PHE A 118 21.143 26.084 0.886 1.00 51.44 C ATOM 330 C PHE A 118 19.789 26.773 1.025 1.00 33.43 C ATOM 331 O PHE A 118 19.105 26.622 2.038 1.00 63.21 O ATOM 332 CB PHE A 118 22.259 27.131 0.846 1.00 34.42 C ATOM 333 CG PHE A 118 23.635 26.544 0.976 1.00 2.41 C ATOM 334 CD1 PHE A 118 24.102 26.105 2.204 1.00 31.50 C ATOM 335 CD2 PHE A 118 24.463 26.434 -0.129 1.00 21.31 C ATOM 336 CE1 PHE A 118 25.369 25.564 2.328 1.00 32.13 C ATOM 337 CE2 PHE A 118 25.730 25.894 -0.012 1.00 25.22 C ATOM 338 CZ PHE A 118 26.184 25.460 1.218 1.00 32.45 C ATOM 0 H PHE A 118 22.070 25.285 -0.817 1.00 1.21 H new ATOM 0 HA PHE A 118 21.292 25.437 1.750 1.00 51.44 H new ATOM 0 HB2 PHE A 118 22.195 27.683 -0.092 1.00 34.42 H new ATOM 0 HB3 PHE A 118 22.101 27.850 1.650 1.00 34.42 H new ATOM 0 HD1 PHE A 118 23.469 26.186 3.075 1.00 31.50 H new ATOM 0 HD2 PHE A 118 24.115 26.774 -1.093 1.00 21.31 H new ATOM 0 HE1 PHE A 118 25.720 25.224 3.291 1.00 32.13 H new ATOM 0 HE2 PHE A 118 26.365 25.812 -0.882 1.00 25.22 H new ATOM 0 HZ PHE A 118 27.175 25.040 1.312 1.00 32.45 H new ATOM 348 N PHE A 119 19.408 27.530 0.003 1.00 63.24 N ATOM 349 CA PHE A 119 18.137 28.244 0.011 1.00 75.22 C ATOM 350 C PHE A 119 16.990 27.309 0.385 1.00 24.42 C ATOM 351 O PHE A 119 16.165 27.633 1.239 1.00 60.41 O ATOM 352 CB PHE A 119 17.872 28.873 -1.358 1.00 53.33 C ATOM 353 CG PHE A 119 17.082 30.149 -1.290 1.00 33.23 C ATOM 354 CD1 PHE A 119 17.504 31.197 -0.489 1.00 0.31 C ATOM 355 CD2 PHE A 119 15.917 30.299 -2.025 1.00 73.24 C ATOM 356 CE1 PHE A 119 16.780 32.374 -0.423 1.00 73.20 C ATOM 357 CE2 PHE A 119 15.190 31.472 -1.964 1.00 33.32 C ATOM 358 CZ PHE A 119 15.620 32.510 -1.161 1.00 70.03 C ATOM 0 H PHE A 119 19.962 27.665 -0.843 1.00 63.24 H new ATOM 0 HA PHE A 119 18.197 29.034 0.760 1.00 75.22 H new ATOM 0 HB2 PHE A 119 18.825 29.071 -1.848 1.00 53.33 H new ATOM 0 HB3 PHE A 119 17.336 28.156 -1.980 1.00 53.33 H new ATOM 0 HD1 PHE A 119 18.409 31.094 0.091 1.00 0.31 H new ATOM 0 HD2 PHE A 119 15.574 29.490 -2.653 1.00 73.24 H new ATOM 0 HE1 PHE A 119 17.121 33.185 0.204 1.00 73.20 H new ATOM 0 HE2 PHE A 119 14.285 31.577 -2.544 1.00 33.32 H new ATOM 0 HZ PHE A 119 15.051 33.426 -1.110 1.00 70.03 H new ATOM 368 N ARG A 120 16.946 26.149 -0.262 1.00 73.23 N ATOM 369 CA ARG A 120 15.901 25.167 0.001 1.00 71.14 C ATOM 370 C ARG A 120 14.528 25.722 -0.369 1.00 11.43 C ATOM 371 O ARG A 120 13.500 25.186 0.042 1.00 11.22 O ATOM 372 CB ARG A 120 15.916 24.756 1.473 1.00 22.21 C ATOM 373 CG ARG A 120 16.568 23.405 1.722 1.00 42.23 C ATOM 374 CD ARG A 120 15.538 22.287 1.760 1.00 54.42 C ATOM 375 NE ARG A 120 14.748 22.313 2.988 1.00 51.54 N ATOM 376 CZ ARG A 120 14.030 21.283 3.422 1.00 54.12 C ATOM 377 NH1 ARG A 120 14.003 20.153 2.730 1.00 32.23 N ATOM 378 NH2 ARG A 120 13.337 21.384 4.549 1.00 34.13 N ATOM 0 H ARG A 120 17.622 25.866 -0.972 1.00 73.23 H new ATOM 0 HA ARG A 120 16.098 24.290 -0.616 1.00 71.14 H new ATOM 0 HB2 ARG A 120 16.444 25.516 2.048 1.00 22.21 H new ATOM 0 HB3 ARG A 120 14.892 24.730 1.845 1.00 22.21 H new ATOM 0 HG2 ARG A 120 17.298 23.202 0.938 1.00 42.23 H new ATOM 0 HG3 ARG A 120 17.113 23.431 2.666 1.00 42.23 H new ATOM 0 HD2 ARG A 120 14.874 22.376 0.900 1.00 54.42 H new ATOM 0 HD3 ARG A 120 16.044 21.325 1.674 1.00 54.42 H new ATOM 0 HE ARG A 120 14.747 23.169 3.543 1.00 51.54 H new ATOM 0 HH11 ARG A 120 14.534 20.073 1.863 1.00 32.23 H new ATOM 0 HH12 ARG A 120 13.451 19.363 3.065 1.00 32.23 H new ATOM 0 HH21 ARG A 120 13.355 22.253 5.083 1.00 34.13 H new ATOM 0 HH22 ARG A 120 12.786 20.593 4.882 1.00 34.13 H new ATOM 392 N SER A 121 14.522 26.801 -1.147 1.00 33.44 N ATOM 393 CA SER A 121 13.276 27.431 -1.568 1.00 12.41 C ATOM 394 C SER A 121 13.139 27.401 -3.087 1.00 21.11 C ATOM 395 O SER A 121 12.052 27.606 -3.627 1.00 2.23 O ATOM 396 CB SER A 121 13.217 28.876 -1.068 1.00 32.10 C ATOM 397 OG SER A 121 11.990 29.138 -0.409 1.00 24.24 O ATOM 0 H SER A 121 15.365 27.256 -1.498 1.00 33.44 H new ATOM 0 HA SER A 121 12.448 26.869 -1.135 1.00 12.41 H new ATOM 0 HB2 SER A 121 14.047 29.062 -0.386 1.00 32.10 H new ATOM 0 HB3 SER A 121 13.335 29.560 -1.908 1.00 32.10 H new ATOM 0 HG SER A 121 11.978 30.067 -0.098 1.00 24.24 H new ATOM 403 N ALA A 122 14.249 27.144 -3.770 1.00 51.11 N ATOM 404 CA ALA A 122 14.253 27.084 -5.227 1.00 52.50 C ATOM 405 C ALA A 122 14.777 25.740 -5.720 1.00 40.52 C ATOM 406 O ALA A 122 15.635 25.681 -6.600 1.00 44.44 O ATOM 407 CB ALA A 122 15.088 28.220 -5.799 1.00 41.03 C ATOM 0 H ALA A 122 15.157 26.974 -3.338 1.00 51.11 H new ATOM 0 HA ALA A 122 13.225 27.192 -5.573 1.00 52.50 H new ATOM 0 HB1 ALA A 122 15.082 28.163 -6.888 1.00 41.03 H new ATOM 0 HB2 ALA A 122 14.668 29.175 -5.483 1.00 41.03 H new ATOM 0 HB3 ALA A 122 16.113 28.137 -5.437 1.00 41.03 H new ATOM 413 N CYS A 123 14.256 24.661 -5.147 1.00 25.14 N ATOM 414 CA CYS A 123 14.672 23.316 -5.526 1.00 14.32 C ATOM 415 C CYS A 123 14.454 23.080 -7.018 1.00 31.12 C ATOM 416 O CYS A 123 13.690 23.797 -7.665 1.00 64.01 O ATOM 417 CB CYS A 123 13.899 22.272 -4.715 1.00 50.54 C ATOM 418 SG CYS A 123 13.939 22.551 -2.916 1.00 45.30 S ATOM 0 H CYS A 123 13.544 24.692 -4.417 1.00 25.14 H new ATOM 0 HA CYS A 123 15.736 23.218 -5.311 1.00 14.32 H new ATOM 0 HB2 CYS A 123 12.861 22.264 -5.048 1.00 50.54 H new ATOM 0 HB3 CYS A 123 14.309 21.285 -4.928 1.00 50.54 H new ATOM 423 N TYR A 124 15.130 22.071 -7.557 1.00 13.44 N ATOM 424 CA TYR A 124 15.012 21.742 -8.972 1.00 43.21 C ATOM 425 C TYR A 124 15.280 20.259 -9.210 1.00 43.11 C ATOM 426 O TYR A 124 15.830 19.569 -8.350 1.00 52.24 O ATOM 427 CB TYR A 124 15.987 22.586 -9.796 1.00 33.21 C ATOM 428 CG TYR A 124 17.258 22.939 -9.057 1.00 11.25 C ATOM 429 CD1 TYR A 124 18.230 21.978 -8.808 1.00 44.12 C ATOM 430 CD2 TYR A 124 17.486 24.233 -8.606 1.00 52.22 C ATOM 431 CE1 TYR A 124 19.392 22.296 -8.132 1.00 52.31 C ATOM 432 CE2 TYR A 124 18.645 24.561 -7.930 1.00 63.44 C ATOM 433 CZ TYR A 124 19.596 23.588 -7.696 1.00 14.42 C ATOM 434 OH TYR A 124 20.753 23.910 -7.023 1.00 54.31 O ATOM 0 H TYR A 124 15.765 21.467 -7.035 1.00 13.44 H new ATOM 0 HA TYR A 124 13.993 21.964 -9.287 1.00 43.21 H new ATOM 0 HB2 TYR A 124 16.245 22.044 -10.706 1.00 33.21 H new ATOM 0 HB3 TYR A 124 15.488 23.505 -10.103 1.00 33.21 H new ATOM 0 HD1 TYR A 124 18.074 20.965 -9.149 1.00 44.12 H new ATOM 0 HD2 TYR A 124 16.744 24.996 -8.787 1.00 52.22 H new ATOM 0 HE1 TYR A 124 20.137 21.536 -7.946 1.00 52.31 H new ATOM 0 HE2 TYR A 124 18.806 25.572 -7.587 1.00 63.44 H new ATOM 0 HH TYR A 124 20.740 24.861 -6.786 1.00 54.31 H new ATOM 444 N CYS A 125 14.889 19.775 -10.383 1.00 54.55 N ATOM 445 CA CYS A 125 15.084 18.375 -10.738 1.00 64.35 C ATOM 446 C CYS A 125 16.553 18.091 -11.041 1.00 73.51 C ATOM 447 O CYS A 125 17.017 18.293 -12.163 1.00 75.35 O ATOM 448 CB CYS A 125 14.223 18.008 -11.948 1.00 22.13 C ATOM 449 SG CYS A 125 12.580 17.347 -11.518 1.00 31.02 S ATOM 0 H CYS A 125 14.434 20.333 -11.106 1.00 54.55 H new ATOM 0 HA CYS A 125 14.781 17.765 -9.887 1.00 64.35 H new ATOM 0 HB2 CYS A 125 14.095 18.893 -12.571 1.00 22.13 H new ATOM 0 HB3 CYS A 125 14.754 17.269 -12.548 1.00 22.13 H new ATOM 454 N ARG A 126 17.279 17.622 -10.032 1.00 31.44 N ATOM 455 CA ARG A 126 18.695 17.311 -10.188 1.00 51.05 C ATOM 456 C ARG A 126 18.931 15.804 -10.124 1.00 52.21 C ATOM 457 O ARG A 126 18.408 15.120 -9.244 1.00 13.34 O ATOM 458 CB ARG A 126 19.516 18.014 -9.107 1.00 42.32 C ATOM 459 CG ARG A 126 20.983 18.186 -9.471 1.00 35.25 C ATOM 460 CD ARG A 126 21.711 19.050 -8.453 1.00 41.33 C ATOM 461 NE ARG A 126 22.801 19.809 -9.060 1.00 64.13 N ATOM 462 CZ ARG A 126 23.999 19.296 -9.319 1.00 64.51 C ATOM 463 NH1 ARG A 126 24.259 18.029 -9.025 1.00 74.30 N ATOM 464 NH2 ARG A 126 24.940 20.050 -9.873 1.00 30.22 N ATOM 0 H ARG A 126 16.910 17.449 -9.097 1.00 31.44 H new ATOM 0 HA ARG A 126 19.014 17.670 -11.166 1.00 51.05 H new ATOM 0 HB2 ARG A 126 19.081 18.994 -8.913 1.00 42.32 H new ATOM 0 HB3 ARG A 126 19.445 17.444 -8.180 1.00 42.32 H new ATOM 0 HG2 ARG A 126 21.462 17.209 -9.529 1.00 35.25 H new ATOM 0 HG3 ARG A 126 21.063 18.640 -10.459 1.00 35.25 H new ATOM 0 HD2 ARG A 126 21.004 19.738 -7.990 1.00 41.33 H new ATOM 0 HD3 ARG A 126 22.108 18.418 -7.659 1.00 41.33 H new ATOM 0 HE ARG A 126 22.633 20.787 -9.298 1.00 64.13 H new ATOM 0 HH11 ARG A 126 23.538 17.446 -8.599 1.00 74.30 H new ATOM 0 HH12 ARG A 126 25.179 17.638 -9.225 1.00 74.30 H new ATOM 0 HH21 ARG A 126 24.744 21.025 -10.101 1.00 30.22 H new ATOM 0 HH22 ARG A 126 25.859 19.655 -10.071 1.00 30.22 H new ATOM 478 N VAL A 127 19.723 15.294 -11.062 1.00 22.42 N ATOM 479 CA VAL A 127 20.029 13.869 -11.111 1.00 10.52 C ATOM 480 C VAL A 127 21.034 13.486 -10.031 1.00 21.22 C ATOM 481 O VAL A 127 22.244 13.633 -10.212 1.00 11.25 O ATOM 482 CB VAL A 127 20.591 13.463 -12.486 1.00 75.22 C ATOM 483 CG1 VAL A 127 19.486 13.451 -13.532 1.00 31.34 C ATOM 484 CG2 VAL A 127 21.716 14.399 -12.900 1.00 0.12 C ATOM 0 H VAL A 127 20.164 15.846 -11.798 1.00 22.42 H new ATOM 0 HA VAL A 127 19.093 13.338 -10.938 1.00 10.52 H new ATOM 0 HB VAL A 127 20.998 12.455 -12.409 1.00 75.22 H new ATOM 0 HG11 VAL A 127 19.902 13.162 -14.497 1.00 31.34 H new ATOM 0 HG12 VAL A 127 18.716 12.737 -13.240 1.00 31.34 H new ATOM 0 HG13 VAL A 127 19.047 14.446 -13.609 1.00 31.34 H new ATOM 0 HG21 VAL A 127 22.101 14.097 -13.874 1.00 0.12 H new ATOM 0 HG22 VAL A 127 21.337 15.419 -12.960 1.00 0.12 H new ATOM 0 HG23 VAL A 127 22.518 14.353 -12.163 1.00 0.12 H new ATOM 494 N LEU A 128 20.527 12.992 -8.907 1.00 12.31 N ATOM 495 CA LEU A 128 21.380 12.586 -7.796 1.00 12.42 C ATOM 496 C LEU A 128 21.700 11.097 -7.870 1.00 74.53 C ATOM 497 O LEU A 128 21.998 10.464 -6.858 1.00 23.25 O ATOM 498 CB LEU A 128 20.703 12.908 -6.462 1.00 21.31 C ATOM 499 CG LEU A 128 20.865 14.342 -5.955 1.00 74.34 C ATOM 500 CD1 LEU A 128 22.320 14.628 -5.620 1.00 20.31 C ATOM 501 CD2 LEU A 128 20.349 15.334 -6.988 1.00 62.21 C ATOM 0 H LEU A 128 19.529 12.863 -8.741 1.00 12.31 H new ATOM 0 HA LEU A 128 22.314 13.143 -7.866 1.00 12.42 H new ATOM 0 HB2 LEU A 128 19.638 12.696 -6.558 1.00 21.31 H new ATOM 0 HB3 LEU A 128 21.096 12.230 -5.705 1.00 21.31 H new ATOM 0 HG LEU A 128 20.275 14.455 -5.045 1.00 74.34 H new ATOM 0 HD11 LEU A 128 22.416 15.653 -5.261 1.00 20.31 H new ATOM 0 HD12 LEU A 128 22.657 13.939 -4.846 1.00 20.31 H new ATOM 0 HD13 LEU A 128 22.931 14.498 -6.513 1.00 20.31 H new ATOM 0 HD21 LEU A 128 20.472 16.349 -6.611 1.00 62.21 H new ATOM 0 HD22 LEU A 128 20.912 15.220 -7.914 1.00 62.21 H new ATOM 0 HD23 LEU A 128 19.293 15.144 -7.180 1.00 62.21 H new ATOM 513 N SER A 129 21.635 10.542 -9.077 1.00 3.05 N ATOM 514 CA SER A 129 21.916 9.126 -9.284 1.00 12.43 C ATOM 515 C SER A 129 23.328 8.926 -9.825 1.00 73.10 C ATOM 516 O SER A 129 24.069 8.061 -9.354 1.00 50.50 O ATOM 517 CB SER A 129 20.896 8.519 -10.249 1.00 42.32 C ATOM 518 OG SER A 129 20.800 7.116 -10.073 1.00 43.33 O ATOM 0 H SER A 129 21.390 11.052 -9.926 1.00 3.05 H new ATOM 0 HA SER A 129 21.840 8.620 -8.321 1.00 12.43 H new ATOM 0 HB2 SER A 129 19.920 8.977 -10.087 1.00 42.32 H new ATOM 0 HB3 SER A 129 21.185 8.741 -11.276 1.00 42.32 H new ATOM 0 HG SER A 129 20.141 6.752 -10.700 1.00 43.33 H new ATOM 524 N LEU A 130 23.694 9.730 -10.817 1.00 1.13 N ATOM 525 CA LEU A 130 25.017 9.642 -11.424 1.00 1.40 C ATOM 526 C LEU A 130 25.226 8.282 -12.082 1.00 60.00 C ATOM 527 O LEU A 130 26.358 7.849 -12.288 1.00 61.42 O ATOM 528 CB LEU A 130 26.101 9.884 -10.370 1.00 74.22 C ATOM 529 CG LEU A 130 25.908 11.110 -9.480 1.00 12.52 C ATOM 530 CD1 LEU A 130 26.906 11.099 -8.332 1.00 4.21 C ATOM 531 CD2 LEU A 130 26.045 12.389 -10.295 1.00 63.21 C ATOM 0 H LEU A 130 23.093 10.450 -11.218 1.00 1.13 H new ATOM 0 HA LEU A 130 25.088 10.411 -12.193 1.00 1.40 H new ATOM 0 HB2 LEU A 130 26.162 9.003 -9.732 1.00 74.22 H new ATOM 0 HB3 LEU A 130 27.060 9.977 -10.879 1.00 74.22 H new ATOM 0 HG LEU A 130 24.902 11.076 -9.061 1.00 12.52 H new ATOM 0 HD11 LEU A 130 26.753 11.980 -7.709 1.00 4.21 H new ATOM 0 HD12 LEU A 130 26.761 10.201 -7.732 1.00 4.21 H new ATOM 0 HD13 LEU A 130 27.920 11.108 -8.731 1.00 4.21 H new ATOM 0 HD21 LEU A 130 25.904 13.252 -9.644 1.00 63.21 H new ATOM 0 HD22 LEU A 130 27.038 12.430 -10.743 1.00 63.21 H new ATOM 0 HD23 LEU A 130 25.291 12.401 -11.082 1.00 63.21 H new ATOM 543 N ASN A 131 24.125 7.615 -12.410 1.00 61.22 N ATOM 544 CA ASN A 131 24.187 6.304 -13.047 1.00 32.41 C ATOM 545 C ASN A 131 23.491 6.325 -14.404 1.00 71.45 C ATOM 546 O ASN A 131 23.903 5.636 -15.337 1.00 64.54 O ATOM 547 CB ASN A 131 23.544 5.246 -12.148 1.00 33.25 C ATOM 548 CG ASN A 131 24.452 4.827 -11.007 1.00 55.33 C ATOM 549 OD1 ASN A 131 25.090 3.672 -11.153 1.00 21.41 O flip ATOM 550 ND2 ASN A 131 24.577 5.535 -10.008 1.00 32.21 N flip ATOM 0 H ASN A 131 23.179 7.960 -12.246 1.00 61.22 H new ATOM 0 HA ASN A 131 25.236 6.052 -13.201 1.00 32.41 H new ATOM 0 HB2 ASN A 131 22.611 5.637 -11.742 1.00 33.25 H new ATOM 0 HB3 ASN A 131 23.289 4.371 -12.746 1.00 33.25 H new ATOM 0 HD21 ASN A 131 24.066 6.415 -9.940 1.00 32.21 H new ATOM 0 HD22 ASN A 131 25.191 5.241 -9.248 1.00 32.21 H new ATOM 557 N CYS A 132 22.431 7.120 -14.508 1.00 10.51 N ATOM 558 CA CYS A 132 21.677 7.233 -15.750 1.00 61.13 C ATOM 559 C CYS A 132 22.574 7.704 -16.891 1.00 22.44 C ATOM 560 O CYS A 132 22.256 7.508 -18.064 1.00 2.11 O ATOM 561 CB CYS A 132 20.505 8.201 -15.575 1.00 2.35 C ATOM 562 SG CYS A 132 19.178 7.995 -16.805 1.00 23.31 S ATOM 0 H CYS A 132 22.075 7.696 -13.745 1.00 10.51 H new ATOM 0 HA CYS A 132 21.289 6.246 -16.000 1.00 61.13 H new ATOM 0 HB2 CYS A 132 20.085 8.069 -14.578 1.00 2.35 H new ATOM 0 HB3 CYS A 132 20.881 9.223 -15.630 1.00 2.35 H new TER 567 CYS A 132