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 180:sc= 0.0142 USER MOD Single : A 98 ASN : amide:sc= -1.73 K(o=-1.7,f=-3.2!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= -0.0363 (180deg=-0.301) 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 122:sc= 1.48 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= -0.324 K(o=-0.32,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 7.975 20.755 -20.100 1.00 23.01 N ATOM 2 CA CYS A 93 8.212 20.505 -18.683 1.00 71.43 C ATOM 3 C CYS A 93 9.558 21.074 -18.247 1.00 23.33 C ATOM 4 O CYS A 93 10.260 21.709 -19.034 1.00 0.33 O ATOM 5 CB CYS A 93 8.162 19.003 -18.393 1.00 41.02 C ATOM 6 SG CYS A 93 8.920 17.970 -19.689 1.00 14.31 S ATOM 0 HA CYS A 93 7.426 21.004 -18.116 1.00 71.43 H new ATOM 0 HB2 CYS A 93 8.668 18.809 -17.447 1.00 41.02 H new ATOM 0 HB3 CYS A 93 7.122 18.703 -18.266 1.00 41.02 H new ATOM 11 N VAL A 94 9.913 20.841 -16.988 1.00 5.14 N ATOM 12 CA VAL A 94 11.176 21.330 -16.446 1.00 71.53 C ATOM 13 C VAL A 94 12.318 20.372 -16.768 1.00 43.44 C ATOM 14 O VAL A 94 12.160 19.154 -16.697 1.00 4.30 O ATOM 15 CB VAL A 94 11.097 21.519 -14.920 1.00 51.32 C ATOM 16 CG1 VAL A 94 12.096 20.615 -14.215 1.00 61.42 C ATOM 17 CG2 VAL A 94 11.332 22.977 -14.552 1.00 45.22 C ATOM 0 H VAL A 94 9.344 20.317 -16.323 1.00 5.14 H new ATOM 0 HA VAL A 94 11.369 22.295 -16.915 1.00 71.53 H new ATOM 0 HB VAL A 94 10.097 21.240 -14.589 1.00 51.32 H new ATOM 0 HG11 VAL A 94 12.024 20.764 -13.138 1.00 61.42 H new ATOM 0 HG12 VAL A 94 11.876 19.574 -14.453 1.00 61.42 H new ATOM 0 HG13 VAL A 94 13.105 20.858 -14.548 1.00 61.42 H new ATOM 0 HG21 VAL A 94 11.273 23.093 -13.470 1.00 45.22 H new ATOM 0 HG22 VAL A 94 12.319 23.285 -14.896 1.00 45.22 H new ATOM 0 HG23 VAL A 94 10.572 23.599 -15.026 1.00 45.22 H new ATOM 27 N ALA A 95 13.470 20.933 -17.124 1.00 21.01 N ATOM 28 CA ALA A 95 14.641 20.130 -17.455 1.00 32.45 C ATOM 29 C ALA A 95 15.441 19.783 -16.204 1.00 2.31 C ATOM 30 O ALA A 95 14.958 19.939 -15.082 1.00 21.42 O ATOM 31 CB ALA A 95 15.517 20.863 -18.459 1.00 12.21 C ATOM 0 H ALA A 95 13.617 21.940 -17.190 1.00 21.01 H new ATOM 0 HA ALA A 95 14.297 19.198 -17.903 1.00 32.45 H new ATOM 0 HB1 ALA A 95 16.388 20.252 -18.697 1.00 12.21 H new ATOM 0 HB2 ALA A 95 14.947 21.053 -19.369 1.00 12.21 H new ATOM 0 HB3 ALA A 95 15.845 21.811 -18.032 1.00 12.21 H new ATOM 37 N THR A 96 16.668 19.314 -16.404 1.00 21.42 N ATOM 38 CA THR A 96 17.535 18.944 -15.292 1.00 3.11 C ATOM 39 C THR A 96 17.875 20.156 -14.432 1.00 71.32 C ATOM 40 O THR A 96 18.197 21.226 -14.951 1.00 21.33 O ATOM 41 CB THR A 96 18.842 18.298 -15.789 1.00 44.35 C ATOM 42 OG1 THR A 96 18.576 17.458 -16.917 1.00 52.44 O ATOM 43 CG2 THR A 96 19.497 17.482 -14.685 1.00 61.33 C ATOM 0 H THR A 96 17.084 19.181 -17.326 1.00 21.42 H new ATOM 0 HA THR A 96 16.986 18.219 -14.691 1.00 3.11 H new ATOM 0 HB THR A 96 19.525 19.095 -16.084 1.00 44.35 H new ATOM 0 HG1 THR A 96 19.412 17.053 -17.228 1.00 52.44 H new ATOM 0 HG21 THR A 96 20.418 17.036 -15.060 1.00 61.33 H new ATOM 0 HG22 THR A 96 19.726 18.131 -13.840 1.00 61.33 H new ATOM 0 HG23 THR A 96 18.817 16.694 -14.363 1.00 61.33 H new ATOM 51 N ARG A 97 17.801 19.982 -13.116 1.00 41.45 N ATOM 52 CA ARG A 97 18.101 21.064 -12.186 1.00 23.34 C ATOM 53 C ARG A 97 17.528 22.387 -12.686 1.00 61.31 C ATOM 54 O ARG A 97 18.149 23.439 -12.541 1.00 63.41 O ATOM 55 CB ARG A 97 19.613 21.192 -11.990 1.00 0.15 C ATOM 56 CG ARG A 97 20.340 21.745 -13.205 1.00 21.21 C ATOM 57 CD ARG A 97 20.885 20.628 -14.082 1.00 23.10 C ATOM 58 NE ARG A 97 22.345 20.633 -14.129 1.00 21.13 N ATOM 59 CZ ARG A 97 23.053 21.441 -14.910 1.00 12.31 C ATOM 60 NH1 ARG A 97 22.438 22.306 -15.706 1.00 32.11 N ATOM 61 NH2 ARG A 97 24.379 21.386 -14.897 1.00 12.14 N ATOM 0 H ARG A 97 17.536 19.103 -12.671 1.00 41.45 H new ATOM 0 HA ARG A 97 17.636 20.826 -11.229 1.00 23.34 H new ATOM 0 HB2 ARG A 97 19.806 21.840 -11.135 1.00 0.15 H new ATOM 0 HB3 ARG A 97 20.024 20.212 -11.746 1.00 0.15 H new ATOM 0 HG2 ARG A 97 19.659 22.367 -13.786 1.00 21.21 H new ATOM 0 HG3 ARG A 97 21.159 22.387 -12.880 1.00 21.21 H new ATOM 0 HD2 ARG A 97 20.538 19.667 -13.703 1.00 23.10 H new ATOM 0 HD3 ARG A 97 20.489 20.734 -15.092 1.00 23.10 H new ATOM 0 HE ARG A 97 22.849 19.980 -13.529 1.00 21.13 H new ATOM 0 HH11 ARG A 97 21.419 22.352 -15.719 1.00 32.11 H new ATOM 0 HH12 ARG A 97 22.984 22.925 -16.305 1.00 32.11 H new ATOM 0 HH21 ARG A 97 24.856 20.722 -14.287 1.00 12.14 H new ATOM 0 HH22 ARG A 97 24.921 22.007 -15.497 1.00 12.14 H new ATOM 75 N ASN A 98 16.338 22.325 -13.277 1.00 24.40 N ATOM 76 CA ASN A 98 15.682 23.518 -13.800 1.00 33.22 C ATOM 77 C ASN A 98 14.836 24.190 -12.722 1.00 65.45 C ATOM 78 O ASN A 98 15.131 25.305 -12.292 1.00 71.13 O ATOM 79 CB ASN A 98 14.806 23.158 -15.001 1.00 72.53 C ATOM 80 CG ASN A 98 14.427 24.373 -15.825 1.00 63.13 C ATOM 81 OD1 ASN A 98 14.095 25.427 -15.281 1.00 61.55 O ATOM 82 ND2 ASN A 98 14.475 24.231 -17.145 1.00 31.21 N ATOM 0 H ASN A 98 15.809 21.462 -13.405 1.00 24.40 H new ATOM 0 HA ASN A 98 16.455 24.217 -14.119 1.00 33.22 H new ATOM 0 HB2 ASN A 98 15.336 22.445 -15.633 1.00 72.53 H new ATOM 0 HB3 ASN A 98 13.900 22.663 -14.651 1.00 72.53 H new ATOM 0 HD21 ASN A 98 14.231 25.014 -17.751 1.00 31.21 H new ATOM 0 HD22 ASN A 98 14.756 23.339 -17.552 1.00 31.21 H new ATOM 89 N SER A 99 13.783 23.503 -12.290 1.00 65.52 N ATOM 90 CA SER A 99 12.892 24.034 -11.265 1.00 43.02 C ATOM 91 C SER A 99 12.058 22.919 -10.641 1.00 52.52 C ATOM 92 O SER A 99 11.658 21.973 -11.319 1.00 22.24 O ATOM 93 CB SER A 99 11.974 25.101 -11.862 1.00 54.25 C ATOM 94 OG SER A 99 11.337 25.854 -10.844 1.00 75.02 O ATOM 0 H SER A 99 13.526 22.578 -12.634 1.00 65.52 H new ATOM 0 HA SER A 99 13.503 24.487 -10.484 1.00 43.02 H new ATOM 0 HB2 SER A 99 12.553 25.766 -12.502 1.00 54.25 H new ATOM 0 HB3 SER A 99 11.222 24.627 -12.492 1.00 54.25 H new ATOM 0 HG SER A 99 10.757 26.531 -11.252 1.00 75.02 H new ATOM 100 N CYS A 100 11.798 23.040 -9.343 1.00 63.32 N ATOM 101 CA CYS A 100 11.012 22.044 -8.624 1.00 41.33 C ATOM 102 C CYS A 100 9.540 22.447 -8.572 1.00 45.24 C ATOM 103 O CYS A 100 9.112 23.366 -9.272 1.00 20.24 O ATOM 104 CB CYS A 100 11.553 21.865 -7.205 1.00 3.23 C ATOM 105 SG CYS A 100 12.405 20.278 -6.929 1.00 55.54 S ATOM 0 H CYS A 100 12.120 23.818 -8.768 1.00 63.32 H new ATOM 0 HA CYS A 100 11.093 21.098 -9.159 1.00 41.33 H new ATOM 0 HB2 CYS A 100 12.244 22.679 -6.986 1.00 3.23 H new ATOM 0 HB3 CYS A 100 10.727 21.949 -6.499 1.00 3.23 H new ATOM 110 N LYS A 101 8.772 21.753 -7.740 1.00 52.32 N ATOM 111 CA LYS A 101 7.349 22.038 -7.594 1.00 62.12 C ATOM 112 C LYS A 101 6.596 21.720 -8.882 1.00 71.42 C ATOM 113 O LYS A 101 6.150 22.611 -9.605 1.00 64.42 O ATOM 114 CB LYS A 101 7.138 23.505 -7.216 1.00 51.43 C ATOM 115 CG LYS A 101 6.751 23.710 -5.762 1.00 32.31 C ATOM 116 CD LYS A 101 7.954 23.587 -4.842 1.00 61.43 C ATOM 117 CE LYS A 101 8.844 24.818 -4.922 1.00 23.45 C ATOM 118 NZ LYS A 101 8.175 26.023 -4.358 1.00 10.43 N ATOM 0 H LYS A 101 9.111 20.989 -7.156 1.00 52.32 H new ATOM 0 HA LYS A 101 6.957 21.405 -6.799 1.00 62.12 H new ATOM 0 HB2 LYS A 101 8.054 24.059 -7.421 1.00 51.43 H new ATOM 0 HB3 LYS A 101 6.361 23.927 -7.853 1.00 51.43 H new ATOM 0 HG2 LYS A 101 6.298 24.694 -5.640 1.00 32.31 H new ATOM 0 HG3 LYS A 101 5.998 22.975 -5.478 1.00 32.31 H new ATOM 0 HD2 LYS A 101 7.616 23.447 -3.815 1.00 61.43 H new ATOM 0 HD3 LYS A 101 8.530 22.702 -5.111 1.00 61.43 H new ATOM 0 HE2 LYS A 101 9.772 24.631 -4.381 1.00 23.45 H new ATOM 0 HE3 LYS A 101 9.113 25.005 -5.962 1.00 23.45 H new ATOM 0 HZ1 LYS A 101 8.890 26.743 -4.132 1.00 10.43 H new ATOM 0 HZ2 LYS A 101 7.506 26.407 -5.055 1.00 10.43 H new ATOM 0 HZ3 LYS A 101 7.661 25.762 -3.492 1.00 10.43 H new ATOM 132 N PRO A 102 6.449 20.420 -9.176 1.00 73.42 N ATOM 133 CA PRO A 102 5.748 19.954 -10.376 1.00 51.43 C ATOM 134 C PRO A 102 4.246 20.209 -10.306 1.00 52.45 C ATOM 135 O PRO A 102 3.467 19.308 -9.996 1.00 10.32 O ATOM 136 CB PRO A 102 6.034 18.451 -10.394 1.00 74.41 C ATOM 137 CG PRO A 102 6.295 18.098 -8.971 1.00 52.33 C ATOM 138 CD PRO A 102 6.954 19.303 -8.360 1.00 51.22 C ATOM 0 HA PRO A 102 6.084 20.476 -11.272 1.00 51.43 H new ATOM 0 HB2 PRO A 102 5.187 17.892 -10.792 1.00 74.41 H new ATOM 0 HB3 PRO A 102 6.893 18.219 -11.023 1.00 74.41 H new ATOM 0 HG2 PRO A 102 5.367 17.856 -8.453 1.00 52.33 H new ATOM 0 HG3 PRO A 102 6.939 17.222 -8.898 1.00 52.33 H new ATOM 0 HD2 PRO A 102 6.685 19.419 -7.310 1.00 51.22 H new ATOM 0 HD3 PRO A 102 8.041 19.232 -8.405 1.00 51.22 H new ATOM 146 N ALA A 103 3.846 21.443 -10.598 1.00 3.13 N ATOM 147 CA ALA A 103 2.437 21.816 -10.569 1.00 43.23 C ATOM 148 C ALA A 103 1.589 20.818 -11.351 1.00 3.25 C ATOM 149 O ALA A 103 0.863 20.014 -10.767 1.00 12.43 O ATOM 150 CB ALA A 103 2.251 23.219 -11.127 1.00 12.42 C ATOM 0 H ALA A 103 4.478 22.201 -10.857 1.00 3.13 H new ATOM 0 HA ALA A 103 2.104 21.802 -9.531 1.00 43.23 H new ATOM 0 HB1 ALA A 103 1.194 23.484 -11.099 1.00 12.42 H new ATOM 0 HB2 ALA A 103 2.819 23.928 -10.525 1.00 12.42 H new ATOM 0 HB3 ALA A 103 2.606 23.251 -12.157 1.00 12.42 H new ATOM 156 N ALA A 104 1.687 20.875 -12.675 1.00 61.30 N ATOM 157 CA ALA A 104 0.931 19.974 -13.537 1.00 12.52 C ATOM 158 C ALA A 104 1.853 18.987 -14.243 1.00 35.30 C ATOM 159 O ALA A 104 1.476 17.842 -14.494 1.00 71.10 O ATOM 160 CB ALA A 104 0.127 20.770 -14.555 1.00 35.14 C ATOM 0 H ALA A 104 2.282 21.536 -13.174 1.00 61.30 H new ATOM 0 HA ALA A 104 0.243 19.404 -12.912 1.00 12.52 H new ATOM 0 HB1 ALA A 104 -0.433 20.085 -15.192 1.00 35.14 H new ATOM 0 HB2 ALA A 104 -0.567 21.431 -14.035 1.00 35.14 H new ATOM 0 HB3 ALA A 104 0.804 21.365 -15.168 1.00 35.14 H new ATOM 166 N ALA A 105 3.062 19.436 -14.561 1.00 54.23 N ATOM 167 CA ALA A 105 4.038 18.591 -15.239 1.00 32.53 C ATOM 168 C ALA A 105 5.343 19.342 -15.477 1.00 42.41 C ATOM 169 O ALA A 105 5.753 19.543 -16.619 1.00 45.53 O ATOM 170 CB ALA A 105 3.471 18.081 -16.555 1.00 70.02 C ATOM 0 H ALA A 105 3.390 20.381 -14.360 1.00 54.23 H new ATOM 0 HA ALA A 105 4.253 17.738 -14.595 1.00 32.53 H new ATOM 0 HB1 ALA A 105 4.210 17.452 -17.050 1.00 70.02 H new ATOM 0 HB2 ALA A 105 2.570 17.499 -16.362 1.00 70.02 H new ATOM 0 HB3 ALA A 105 3.226 18.927 -17.198 1.00 70.02 H new ATOM 176 N ALA A 106 5.990 19.755 -14.392 1.00 33.14 N ATOM 177 CA ALA A 106 7.249 20.483 -14.484 1.00 22.23 C ATOM 178 C ALA A 106 8.362 19.751 -13.741 1.00 61.21 C ATOM 179 O ALA A 106 8.855 20.225 -12.717 1.00 61.35 O ATOM 180 CB ALA A 106 7.085 21.892 -13.937 1.00 5.42 C ATOM 0 H ALA A 106 5.663 19.598 -13.439 1.00 33.14 H new ATOM 0 HA ALA A 106 7.529 20.544 -15.536 1.00 22.23 H new ATOM 0 HB1 ALA A 106 8.033 22.424 -14.012 1.00 5.42 H new ATOM 0 HB2 ALA A 106 6.326 22.420 -14.514 1.00 5.42 H new ATOM 0 HB3 ALA A 106 6.778 21.843 -12.892 1.00 5.42 H new ATOM 186 N CYS A 107 8.753 18.593 -14.263 1.00 72.41 N ATOM 187 CA CYS A 107 9.806 17.794 -13.649 1.00 41.34 C ATOM 188 C CYS A 107 10.039 16.505 -14.432 1.00 51.44 C ATOM 189 O CYS A 107 10.102 15.418 -13.858 1.00 13.40 O ATOM 190 CB CYS A 107 9.446 17.464 -12.199 1.00 71.24 C ATOM 191 SG CYS A 107 10.844 17.595 -11.038 1.00 14.21 S ATOM 0 H CYS A 107 8.356 18.187 -15.110 1.00 72.41 H new ATOM 0 HA CYS A 107 10.726 18.379 -13.664 1.00 41.34 H new ATOM 0 HB2 CYS A 107 8.651 18.134 -11.871 1.00 71.24 H new ATOM 0 HB3 CYS A 107 9.046 16.451 -12.157 1.00 71.24 H new ATOM 196 N CYS A 108 10.166 16.635 -15.749 1.00 50.21 N ATOM 197 CA CYS A 108 10.392 15.482 -16.613 1.00 51.55 C ATOM 198 C CYS A 108 11.645 14.722 -16.190 1.00 21.31 C ATOM 199 O CYS A 108 12.273 15.052 -15.184 1.00 42.14 O ATOM 200 CB CYS A 108 10.522 15.930 -18.071 1.00 34.14 C ATOM 201 SG CYS A 108 8.939 16.002 -18.970 1.00 14.43 S ATOM 0 H CYS A 108 10.116 17.527 -16.241 1.00 50.21 H new ATOM 0 HA CYS A 108 9.535 14.815 -16.519 1.00 51.55 H new ATOM 0 HB2 CYS A 108 10.988 16.915 -18.097 1.00 34.14 H new ATOM 0 HB3 CYS A 108 11.193 15.246 -18.592 1.00 34.14 H new ATOM 206 N ASP A 109 12.002 13.703 -16.964 1.00 14.14 N ATOM 207 CA ASP A 109 13.180 12.896 -16.671 1.00 20.02 C ATOM 208 C ASP A 109 12.980 12.087 -15.392 1.00 3.30 C ATOM 209 O ASP A 109 13.154 12.586 -14.279 1.00 51.24 O ATOM 210 CB ASP A 109 14.414 13.787 -16.537 1.00 45.03 C ATOM 211 CG ASP A 109 15.679 13.102 -17.017 1.00 70.34 C ATOM 212 OD1 ASP A 109 15.828 11.888 -16.762 1.00 72.22 O ATOM 213 OD2 ASP A 109 16.520 13.777 -17.646 1.00 11.53 O ATOM 0 H ASP A 109 11.492 13.416 -17.800 1.00 14.14 H new ATOM 0 HA ASP A 109 13.330 12.203 -17.499 1.00 20.02 H new ATOM 0 HB2 ASP A 109 14.261 14.702 -17.108 1.00 45.03 H new ATOM 0 HB3 ASP A 109 14.536 14.079 -15.494 1.00 45.03 H new ATOM 218 N PRO A 110 12.605 10.810 -15.552 1.00 23.32 N ATOM 219 CA PRO A 110 12.373 9.906 -14.422 1.00 31.41 C ATOM 220 C PRO A 110 13.664 9.539 -13.699 1.00 31.35 C ATOM 221 O PRO A 110 13.639 8.890 -12.652 1.00 75.31 O ATOM 222 CB PRO A 110 11.758 8.668 -15.078 1.00 74.20 C ATOM 223 CG PRO A 110 12.256 8.696 -16.482 1.00 0.25 C ATOM 224 CD PRO A 110 12.379 10.149 -16.848 1.00 74.23 C ATOM 0 HA PRO A 110 11.740 10.361 -13.660 1.00 31.41 H new ATOM 0 HB2 PRO A 110 12.065 7.755 -14.567 1.00 74.20 H new ATOM 0 HB3 PRO A 110 10.669 8.701 -15.043 1.00 74.20 H new ATOM 0 HG2 PRO A 110 13.218 8.190 -16.565 1.00 0.25 H new ATOM 0 HG3 PRO A 110 11.566 8.182 -17.151 1.00 0.25 H new ATOM 0 HD2 PRO A 110 13.206 10.321 -17.536 1.00 74.23 H new ATOM 0 HD3 PRO A 110 11.477 10.518 -17.335 1.00 74.23 H new ATOM 232 N CYS A 111 14.792 9.957 -14.262 1.00 1.41 N ATOM 233 CA CYS A 111 16.094 9.673 -13.671 1.00 4.30 C ATOM 234 C CYS A 111 16.504 10.778 -12.701 1.00 21.53 C ATOM 235 O CYS A 111 17.517 10.666 -12.009 1.00 52.43 O ATOM 236 CB CYS A 111 17.153 9.523 -14.765 1.00 74.24 C ATOM 237 SG CYS A 111 17.993 7.907 -14.771 1.00 74.30 S ATOM 0 H CYS A 111 14.831 10.494 -15.128 1.00 1.41 H new ATOM 0 HA CYS A 111 16.017 8.737 -13.118 1.00 4.30 H new ATOM 0 HB2 CYS A 111 16.682 9.679 -15.735 1.00 74.24 H new ATOM 0 HB3 CYS A 111 17.899 10.308 -14.643 1.00 74.24 H new ATOM 242 N ALA A 112 15.710 11.842 -12.654 1.00 72.05 N ATOM 243 CA ALA A 112 15.987 12.965 -11.767 1.00 61.32 C ATOM 244 C ALA A 112 14.969 13.035 -10.635 1.00 31.40 C ATOM 245 O ALA A 112 13.888 12.452 -10.722 1.00 61.25 O ATOM 246 CB ALA A 112 15.998 14.267 -12.552 1.00 54.34 C ATOM 0 H ALA A 112 14.869 11.950 -13.220 1.00 72.05 H new ATOM 0 HA ALA A 112 16.972 12.812 -11.325 1.00 61.32 H new ATOM 0 HB1 ALA A 112 16.206 15.097 -11.877 1.00 54.34 H new ATOM 0 HB2 ALA A 112 16.770 14.222 -13.320 1.00 54.34 H new ATOM 0 HB3 ALA A 112 15.026 14.417 -13.022 1.00 54.34 H new ATOM 252 N SER A 113 15.319 13.753 -9.572 1.00 65.41 N ATOM 253 CA SER A 113 14.437 13.895 -8.421 1.00 24.15 C ATOM 254 C SER A 113 14.488 15.317 -7.870 1.00 10.11 C ATOM 255 O SER A 113 15.468 16.036 -8.066 1.00 52.44 O ATOM 256 CB SER A 113 14.826 12.899 -7.326 1.00 43.25 C ATOM 257 OG SER A 113 13.712 12.575 -6.512 1.00 65.22 O ATOM 0 H SER A 113 16.208 14.245 -9.485 1.00 65.41 H new ATOM 0 HA SER A 113 13.419 13.685 -8.748 1.00 24.15 H new ATOM 0 HB2 SER A 113 15.225 11.992 -7.780 1.00 43.25 H new ATOM 0 HB3 SER A 113 15.619 13.322 -6.710 1.00 43.25 H new ATOM 0 HG SER A 113 13.986 11.936 -5.821 1.00 65.22 H new ATOM 263 N CYS A 114 13.425 15.716 -7.180 1.00 51.31 N ATOM 264 CA CYS A 114 13.346 17.052 -6.601 1.00 50.10 C ATOM 265 C CYS A 114 14.404 17.238 -5.516 1.00 14.22 C ATOM 266 O CYS A 114 14.244 16.763 -4.392 1.00 21.43 O ATOM 267 CB CYS A 114 11.953 17.295 -6.018 1.00 14.14 C ATOM 268 SG CYS A 114 11.566 19.051 -5.724 1.00 3.33 S ATOM 0 H CYS A 114 12.606 15.133 -7.008 1.00 51.31 H new ATOM 0 HA CYS A 114 13.533 17.777 -7.393 1.00 50.10 H new ATOM 0 HB2 CYS A 114 11.209 16.879 -6.697 1.00 14.14 H new ATOM 0 HB3 CYS A 114 11.865 16.752 -5.077 1.00 14.14 H new ATOM 273 N TYR A 115 15.481 17.932 -5.863 1.00 22.13 N ATOM 274 CA TYR A 115 16.567 18.179 -4.920 1.00 13.32 C ATOM 275 C TYR A 115 16.608 19.648 -4.510 1.00 33.30 C ATOM 276 O TYR A 115 16.269 20.534 -5.296 1.00 32.14 O ATOM 277 CB TYR A 115 17.907 17.771 -5.534 1.00 52.21 C ATOM 278 CG TYR A 115 19.105 18.287 -4.770 1.00 32.23 C ATOM 279 CD1 TYR A 115 19.562 17.632 -3.633 1.00 31.01 C ATOM 280 CD2 TYR A 115 19.781 19.427 -5.185 1.00 54.11 C ATOM 281 CE1 TYR A 115 20.656 18.100 -2.930 1.00 73.13 C ATOM 282 CE2 TYR A 115 20.876 19.901 -4.490 1.00 64.32 C ATOM 283 CZ TYR A 115 21.310 19.234 -3.363 1.00 21.32 C ATOM 284 OH TYR A 115 22.401 19.703 -2.667 1.00 71.33 O ATOM 0 H TYR A 115 15.627 18.334 -6.789 1.00 22.13 H new ATOM 0 HA TYR A 115 16.385 17.577 -4.030 1.00 13.32 H new ATOM 0 HB2 TYR A 115 17.959 16.683 -5.583 1.00 52.21 H new ATOM 0 HB3 TYR A 115 17.954 18.139 -6.559 1.00 52.21 H new ATOM 0 HD1 TYR A 115 19.054 16.742 -3.293 1.00 31.01 H new ATOM 0 HD2 TYR A 115 19.444 19.952 -6.067 1.00 54.11 H new ATOM 0 HE1 TYR A 115 20.997 17.580 -2.047 1.00 73.13 H new ATOM 0 HE2 TYR A 115 21.390 20.789 -4.827 1.00 64.32 H new ATOM 0 HH TYR A 115 22.746 20.509 -3.104 1.00 71.33 H new ATOM 294 N CYS A 116 17.026 19.899 -3.274 1.00 31.00 N ATOM 295 CA CYS A 116 17.113 21.259 -2.757 1.00 73.05 C ATOM 296 C CYS A 116 18.513 21.550 -2.225 1.00 22.25 C ATOM 297 O CYS A 116 19.260 20.635 -1.880 1.00 71.35 O ATOM 298 CB CYS A 116 16.080 21.473 -1.649 1.00 73.34 C ATOM 299 SG CYS A 116 14.356 21.217 -2.181 1.00 25.30 S ATOM 0 H CYS A 116 17.310 19.177 -2.611 1.00 31.00 H new ATOM 0 HA CYS A 116 16.904 21.947 -3.577 1.00 73.05 H new ATOM 0 HB2 CYS A 116 16.300 20.793 -0.826 1.00 73.34 H new ATOM 0 HB3 CYS A 116 16.183 22.487 -1.262 1.00 73.34 H new ATOM 304 N ARG A 117 18.861 22.831 -2.160 1.00 3.31 N ATOM 305 CA ARG A 117 20.171 23.243 -1.671 1.00 41.21 C ATOM 306 C ARG A 117 20.038 24.102 -0.416 1.00 72.24 C ATOM 307 O ARG A 117 18.950 24.231 0.148 1.00 61.34 O ATOM 308 CB ARG A 117 20.923 24.018 -2.754 1.00 44.15 C ATOM 309 CG ARG A 117 20.013 24.807 -3.682 1.00 4.13 C ATOM 310 CD ARG A 117 19.304 25.931 -2.943 1.00 15.54 C ATOM 311 NE ARG A 117 19.105 27.104 -3.790 1.00 72.24 N ATOM 312 CZ ARG A 117 20.086 27.920 -4.159 1.00 42.10 C ATOM 313 NH1 ARG A 117 21.328 27.692 -3.756 1.00 22.05 N ATOM 314 NH2 ARG A 117 19.825 28.966 -4.932 1.00 42.23 N ATOM 0 H ARG A 117 18.254 23.601 -2.440 1.00 3.31 H new ATOM 0 HA ARG A 117 20.735 22.345 -1.418 1.00 41.21 H new ATOM 0 HB2 ARG A 117 21.624 24.703 -2.278 1.00 44.15 H new ATOM 0 HB3 ARG A 117 21.513 23.318 -3.346 1.00 44.15 H new ATOM 0 HG2 ARG A 117 20.599 25.222 -4.502 1.00 4.13 H new ATOM 0 HG3 ARG A 117 19.275 24.138 -4.125 1.00 4.13 H new ATOM 0 HD2 ARG A 117 18.338 25.576 -2.584 1.00 15.54 H new ATOM 0 HD3 ARG A 117 19.887 26.212 -2.066 1.00 15.54 H new ATOM 0 HE ARG A 117 18.160 27.308 -4.116 1.00 72.24 H new ATOM 0 HH11 ARG A 117 21.532 26.889 -3.161 1.00 22.05 H new ATOM 0 HH12 ARG A 117 22.080 28.320 -4.041 1.00 22.05 H new ATOM 0 HH21 ARG A 117 18.870 29.144 -5.244 1.00 42.23 H new ATOM 0 HH22 ARG A 117 20.579 29.592 -5.215 1.00 42.23 H new ATOM 328 N PHE A 118 21.150 24.687 0.016 1.00 63.53 N ATOM 329 CA PHE A 118 21.158 25.531 1.204 1.00 14.10 C ATOM 330 C PHE A 118 19.934 26.441 1.233 1.00 52.12 C ATOM 331 O PHE A 118 19.149 26.416 2.181 1.00 41.20 O ATOM 332 CB PHE A 118 22.435 26.374 1.248 1.00 32.25 C ATOM 333 CG PHE A 118 23.598 25.665 1.882 1.00 45.45 C ATOM 334 CD1 PHE A 118 23.923 24.371 1.511 1.00 10.14 C ATOM 335 CD2 PHE A 118 24.367 26.295 2.847 1.00 44.12 C ATOM 336 CE1 PHE A 118 24.993 23.716 2.091 1.00 4.14 C ATOM 337 CE2 PHE A 118 25.438 25.646 3.430 1.00 4.21 C ATOM 338 CZ PHE A 118 25.752 24.355 3.052 1.00 10.33 C ATOM 0 H PHE A 118 22.058 24.592 -0.440 1.00 63.53 H new ATOM 0 HA PHE A 118 21.128 24.883 2.080 1.00 14.10 H new ATOM 0 HB2 PHE A 118 22.705 26.663 0.232 1.00 32.25 H new ATOM 0 HB3 PHE A 118 22.236 27.293 1.799 1.00 32.25 H new ATOM 0 HD1 PHE A 118 23.333 23.868 0.759 1.00 10.14 H new ATOM 0 HD2 PHE A 118 24.127 27.304 3.147 1.00 44.12 H new ATOM 0 HE1 PHE A 118 25.235 22.706 1.793 1.00 4.14 H new ATOM 0 HE2 PHE A 118 26.030 26.148 4.181 1.00 4.21 H new ATOM 0 HZ PHE A 118 26.589 23.846 3.507 1.00 10.33 H new ATOM 348 N PHE A 119 19.777 27.245 0.186 1.00 51.42 N ATOM 349 CA PHE A 119 18.649 28.165 0.090 1.00 10.13 C ATOM 350 C PHE A 119 17.337 27.451 0.404 1.00 11.44 C ATOM 351 O PHE A 119 16.479 27.988 1.107 1.00 60.54 O ATOM 352 CB PHE A 119 18.585 28.784 -1.307 1.00 22.51 C ATOM 353 CG PHE A 119 18.050 30.187 -1.318 1.00 40.32 C ATOM 354 CD1 PHE A 119 18.636 31.172 -0.539 1.00 11.20 C ATOM 355 CD2 PHE A 119 16.961 30.522 -2.107 1.00 34.13 C ATOM 356 CE1 PHE A 119 18.146 32.465 -0.547 1.00 22.42 C ATOM 357 CE2 PHE A 119 16.467 31.812 -2.119 1.00 32.11 C ATOM 358 CZ PHE A 119 17.059 32.785 -1.337 1.00 0.14 C ATOM 0 H PHE A 119 20.417 27.278 -0.608 1.00 51.42 H new ATOM 0 HA PHE A 119 18.795 28.958 0.824 1.00 10.13 H new ATOM 0 HB2 PHE A 119 19.584 28.781 -1.743 1.00 22.51 H new ATOM 0 HB3 PHE A 119 17.958 28.160 -1.944 1.00 22.51 H new ATOM 0 HD1 PHE A 119 19.485 30.927 0.082 1.00 11.20 H new ATOM 0 HD2 PHE A 119 16.493 29.766 -2.720 1.00 34.13 H new ATOM 0 HE1 PHE A 119 18.613 33.224 0.064 1.00 22.42 H new ATOM 0 HE2 PHE A 119 15.618 32.060 -2.739 1.00 32.11 H new ATOM 0 HZ PHE A 119 16.673 33.794 -1.343 1.00 0.14 H new ATOM 368 N ARG A 120 17.189 26.241 -0.122 1.00 31.45 N ATOM 369 CA ARG A 120 15.982 25.454 0.100 1.00 60.20 C ATOM 370 C ARG A 120 14.770 26.124 -0.542 1.00 23.31 C ATOM 371 O ARG A 120 13.627 25.795 -0.226 1.00 40.43 O ATOM 372 CB ARG A 120 15.739 25.264 1.598 1.00 51.30 C ATOM 373 CG ARG A 120 15.435 23.828 1.990 1.00 63.32 C ATOM 374 CD ARG A 120 14.025 23.426 1.586 1.00 24.14 C ATOM 375 NE ARG A 120 13.016 24.289 2.193 1.00 52.10 N ATOM 376 CZ ARG A 120 11.723 24.230 1.896 1.00 72.41 C ATOM 377 NH1 ARG A 120 11.283 23.352 1.005 1.00 64.42 N ATOM 378 NH2 ARG A 120 10.865 25.049 2.490 1.00 3.22 N ATOM 0 H ARG A 120 17.890 25.783 -0.705 1.00 31.45 H new ATOM 0 HA ARG A 120 16.125 24.478 -0.364 1.00 60.20 H new ATOM 0 HB2 ARG A 120 16.619 25.602 2.146 1.00 51.30 H new ATOM 0 HB3 ARG A 120 14.908 25.899 1.906 1.00 51.30 H new ATOM 0 HG2 ARG A 120 16.155 23.160 1.516 1.00 63.32 H new ATOM 0 HG3 ARG A 120 15.553 23.711 3.067 1.00 63.32 H new ATOM 0 HD2 ARG A 120 13.933 23.468 0.501 1.00 24.14 H new ATOM 0 HD3 ARG A 120 13.844 22.393 1.882 1.00 24.14 H new ATOM 0 HE ARG A 120 13.321 24.975 2.883 1.00 52.10 H new ATOM 0 HH11 ARG A 120 11.938 22.720 0.546 1.00 64.42 H new ATOM 0 HH12 ARG A 120 10.289 23.309 0.779 1.00 64.42 H new ATOM 0 HH21 ARG A 120 11.198 25.726 3.176 1.00 3.22 H new ATOM 0 HH22 ARG A 120 9.872 25.002 2.260 1.00 3.22 H new ATOM 392 N SER A 121 15.030 27.065 -1.443 1.00 41.43 N ATOM 393 CA SER A 121 13.962 27.785 -2.127 1.00 20.21 C ATOM 394 C SER A 121 14.062 27.601 -3.638 1.00 62.51 C ATOM 395 O SER A 121 13.057 27.636 -4.347 1.00 55.53 O ATOM 396 CB SER A 121 14.018 29.273 -1.779 1.00 52.41 C ATOM 397 OG SER A 121 14.736 29.490 -0.577 1.00 11.43 O ATOM 0 H SER A 121 15.971 27.347 -1.717 1.00 41.43 H new ATOM 0 HA SER A 121 13.009 27.375 -1.791 1.00 20.21 H new ATOM 0 HB2 SER A 121 14.491 29.822 -2.593 1.00 52.41 H new ATOM 0 HB3 SER A 121 13.006 29.664 -1.677 1.00 52.41 H new ATOM 0 HG SER A 121 15.490 30.091 -0.751 1.00 11.43 H new ATOM 403 N ALA A 122 15.283 27.402 -4.124 1.00 41.41 N ATOM 404 CA ALA A 122 15.516 27.211 -5.549 1.00 61.43 C ATOM 405 C ALA A 122 15.777 25.742 -5.870 1.00 54.42 C ATOM 406 O ALA A 122 16.819 25.391 -6.423 1.00 1.41 O ATOM 407 CB ALA A 122 16.684 28.068 -6.014 1.00 41.30 C ATOM 0 H ALA A 122 16.126 27.369 -3.551 1.00 41.41 H new ATOM 0 HA ALA A 122 14.617 27.520 -6.083 1.00 61.43 H new ATOM 0 HB1 ALA A 122 16.846 27.914 -7.081 1.00 41.30 H new ATOM 0 HB2 ALA A 122 16.461 29.119 -5.828 1.00 41.30 H new ATOM 0 HB3 ALA A 122 17.583 27.786 -5.466 1.00 41.30 H new ATOM 413 N CYS A 123 14.821 24.887 -5.520 1.00 0.14 N ATOM 414 CA CYS A 123 14.947 23.456 -5.768 1.00 71.15 C ATOM 415 C CYS A 123 14.642 23.129 -7.228 1.00 52.02 C ATOM 416 O CYS A 123 14.028 23.925 -7.938 1.00 53.55 O ATOM 417 CB CYS A 123 14.005 22.673 -4.852 1.00 32.13 C ATOM 418 SG CYS A 123 14.129 23.132 -3.093 1.00 33.25 S ATOM 0 H CYS A 123 13.951 25.161 -5.064 1.00 0.14 H new ATOM 0 HA CYS A 123 15.975 23.165 -5.555 1.00 71.15 H new ATOM 0 HB2 CYS A 123 12.979 22.828 -5.186 1.00 32.13 H new ATOM 0 HB3 CYS A 123 14.217 21.609 -4.955 1.00 32.13 H new ATOM 423 N TYR A 124 15.075 21.953 -7.667 1.00 54.13 N ATOM 424 CA TYR A 124 14.850 21.521 -9.042 1.00 50.44 C ATOM 425 C TYR A 124 15.047 20.015 -9.178 1.00 60.52 C ATOM 426 O TYR A 124 15.454 19.341 -8.231 1.00 45.02 O ATOM 427 CB TYR A 124 15.796 22.258 -9.992 1.00 0.43 C ATOM 428 CG TYR A 124 17.159 22.532 -9.397 1.00 31.13 C ATOM 429 CD1 TYR A 124 17.889 21.519 -8.787 1.00 72.33 C ATOM 430 CD2 TYR A 124 17.716 23.803 -9.443 1.00 2.32 C ATOM 431 CE1 TYR A 124 19.134 21.763 -8.242 1.00 42.45 C ATOM 432 CE2 TYR A 124 18.962 24.058 -8.902 1.00 13.04 C ATOM 433 CZ TYR A 124 19.667 23.035 -8.303 1.00 20.21 C ATOM 434 OH TYR A 124 20.906 23.284 -7.760 1.00 63.14 O ATOM 0 H TYR A 124 15.584 21.282 -7.092 1.00 54.13 H new ATOM 0 HA TYR A 124 13.820 21.760 -9.307 1.00 50.44 H new ATOM 0 HB2 TYR A 124 15.917 21.668 -10.901 1.00 0.43 H new ATOM 0 HB3 TYR A 124 15.340 23.204 -10.285 1.00 0.43 H new ATOM 0 HD1 TYR A 124 17.475 20.523 -8.738 1.00 72.33 H new ATOM 0 HD2 TYR A 124 17.166 24.607 -9.910 1.00 2.32 H new ATOM 0 HE1 TYR A 124 19.687 20.964 -7.771 1.00 42.45 H new ATOM 0 HE2 TYR A 124 19.381 25.052 -8.948 1.00 13.04 H new ATOM 0 HH TYR A 124 21.135 24.228 -7.888 1.00 63.14 H new ATOM 444 N CYS A 125 14.755 19.491 -10.364 1.00 63.24 N ATOM 445 CA CYS A 125 14.900 18.065 -10.628 1.00 41.21 C ATOM 446 C CYS A 125 16.362 17.701 -10.868 1.00 30.15 C ATOM 447 O CYS A 125 16.827 17.673 -12.008 1.00 13.14 O ATOM 448 CB CYS A 125 14.057 17.661 -11.840 1.00 61.35 C ATOM 449 SG CYS A 125 12.507 16.804 -11.416 1.00 30.33 S ATOM 0 H CYS A 125 14.416 20.034 -11.158 1.00 63.24 H new ATOM 0 HA CYS A 125 14.548 17.522 -9.751 1.00 41.21 H new ATOM 0 HB2 CYS A 125 13.819 18.554 -12.418 1.00 61.35 H new ATOM 0 HB3 CYS A 125 14.653 17.014 -12.484 1.00 61.35 H new ATOM 454 N ARG A 126 17.082 17.422 -9.786 1.00 12.44 N ATOM 455 CA ARG A 126 18.492 17.062 -9.877 1.00 53.23 C ATOM 456 C ARG A 126 18.667 15.546 -9.857 1.00 52.30 C ATOM 457 O ARG A 126 18.064 14.852 -9.038 1.00 42.15 O ATOM 458 CB ARG A 126 19.277 17.692 -8.727 1.00 43.44 C ATOM 459 CG ARG A 126 20.782 17.691 -8.945 1.00 2.25 C ATOM 460 CD ARG A 126 21.249 18.975 -9.611 1.00 41.14 C ATOM 461 NE ARG A 126 22.542 19.420 -9.098 1.00 62.10 N ATOM 462 CZ ARG A 126 23.278 20.362 -9.677 1.00 1.05 C ATOM 463 NH1 ARG A 126 22.851 20.957 -10.783 1.00 24.24 N ATOM 464 NH2 ARG A 126 24.444 20.713 -9.148 1.00 44.32 N ATOM 0 H ARG A 126 16.712 17.438 -8.836 1.00 12.44 H new ATOM 0 HA ARG A 126 18.879 17.443 -10.822 1.00 53.23 H new ATOM 0 HB2 ARG A 126 18.939 18.719 -8.587 1.00 43.44 H new ATOM 0 HB3 ARG A 126 19.051 17.154 -7.806 1.00 43.44 H new ATOM 0 HG2 ARG A 126 21.289 17.571 -7.988 1.00 2.25 H new ATOM 0 HG3 ARG A 126 21.061 16.837 -9.563 1.00 2.25 H new ATOM 0 HD2 ARG A 126 21.320 18.820 -10.687 1.00 41.14 H new ATOM 0 HD3 ARG A 126 20.507 19.757 -9.450 1.00 41.14 H new ATOM 0 HE ARG A 126 22.900 18.983 -8.248 1.00 62.10 H new ATOM 0 HH11 ARG A 126 21.955 20.692 -11.191 1.00 24.24 H new ATOM 0 HH12 ARG A 126 23.419 21.680 -11.225 1.00 24.24 H new ATOM 0 HH21 ARG A 126 24.775 20.259 -8.297 1.00 44.32 H new ATOM 0 HH22 ARG A 126 25.009 21.436 -9.593 1.00 44.32 H new ATOM 478 N VAL A 127 19.497 15.039 -10.763 1.00 53.03 N ATOM 479 CA VAL A 127 19.752 13.606 -10.849 1.00 12.31 C ATOM 480 C VAL A 127 20.741 13.160 -9.778 1.00 32.44 C ATOM 481 O VAL A 127 21.946 13.387 -9.896 1.00 35.42 O ATOM 482 CB VAL A 127 20.302 13.216 -12.234 1.00 40.24 C ATOM 483 CG1 VAL A 127 19.205 13.295 -13.286 1.00 4.22 C ATOM 484 CG2 VAL A 127 21.478 14.105 -12.610 1.00 50.13 C ATOM 0 H VAL A 127 20.004 15.599 -11.448 1.00 53.03 H new ATOM 0 HA VAL A 127 18.798 13.104 -10.691 1.00 12.31 H new ATOM 0 HB VAL A 127 20.655 12.186 -12.189 1.00 40.24 H new ATOM 0 HG11 VAL A 127 19.612 13.016 -14.258 1.00 4.22 H new ATOM 0 HG12 VAL A 127 18.397 12.612 -13.021 1.00 4.22 H new ATOM 0 HG13 VAL A 127 18.819 14.313 -13.333 1.00 4.22 H new ATOM 0 HG21 VAL A 127 21.854 13.815 -13.591 1.00 50.13 H new ATOM 0 HG22 VAL A 127 21.153 15.145 -12.638 1.00 50.13 H new ATOM 0 HG23 VAL A 127 22.270 13.992 -11.870 1.00 50.13 H new ATOM 494 N LEU A 128 20.224 12.522 -8.733 1.00 54.20 N ATOM 495 CA LEU A 128 21.061 12.042 -7.640 1.00 12.03 C ATOM 496 C LEU A 128 21.430 10.576 -7.840 1.00 63.20 C ATOM 497 O LEU A 128 21.727 9.864 -6.881 1.00 21.51 O ATOM 498 CB LEU A 128 20.339 12.219 -6.302 1.00 50.21 C ATOM 499 CG LEU A 128 19.713 13.593 -6.055 1.00 24.11 C ATOM 500 CD1 LEU A 128 18.305 13.446 -5.502 1.00 32.13 C ATOM 501 CD2 LEU A 128 20.579 14.409 -5.106 1.00 34.43 C ATOM 0 H LEU A 128 19.229 12.326 -8.620 1.00 54.20 H new ATOM 0 HA LEU A 128 21.978 12.631 -7.632 1.00 12.03 H new ATOM 0 HB2 LEU A 128 19.554 11.466 -6.233 1.00 50.21 H new ATOM 0 HB3 LEU A 128 21.048 12.015 -5.499 1.00 50.21 H new ATOM 0 HG LEU A 128 19.653 14.121 -7.007 1.00 24.11 H new ATOM 0 HD11 LEU A 128 17.876 14.433 -5.333 1.00 32.13 H new ATOM 0 HD12 LEU A 128 17.689 12.900 -6.216 1.00 32.13 H new ATOM 0 HD13 LEU A 128 18.339 12.899 -4.560 1.00 32.13 H new ATOM 0 HD21 LEU A 128 20.119 15.383 -4.941 1.00 34.43 H new ATOM 0 HD22 LEU A 128 20.670 13.885 -4.155 1.00 34.43 H new ATOM 0 HD23 LEU A 128 21.569 14.544 -5.542 1.00 34.43 H new ATOM 513 N SER A 129 21.411 10.132 -9.093 1.00 1.44 N ATOM 514 CA SER A 129 21.743 8.750 -9.420 1.00 23.12 C ATOM 515 C SER A 129 23.180 8.640 -9.920 1.00 73.40 C ATOM 516 O SER A 129 23.835 7.612 -9.743 1.00 30.02 O ATOM 517 CB SER A 129 20.779 8.208 -10.477 1.00 2.42 C ATOM 518 OG SER A 129 19.565 7.778 -9.887 1.00 74.23 O ATOM 0 H SER A 129 21.169 10.709 -9.898 1.00 1.44 H new ATOM 0 HA SER A 129 21.647 8.154 -8.512 1.00 23.12 H new ATOM 0 HB2 SER A 129 20.573 8.981 -11.217 1.00 2.42 H new ATOM 0 HB3 SER A 129 21.244 7.376 -11.006 1.00 2.42 H new ATOM 0 HG SER A 129 18.965 7.438 -10.583 1.00 74.23 H new ATOM 524 N LEU A 130 23.665 9.707 -10.547 1.00 74.45 N ATOM 525 CA LEU A 130 25.024 9.731 -11.074 1.00 43.21 C ATOM 526 C LEU A 130 25.239 8.604 -12.079 1.00 65.42 C ATOM 527 O LEU A 130 26.365 8.152 -12.289 1.00 33.10 O ATOM 528 CB LEU A 130 26.037 9.614 -9.934 1.00 53.31 C ATOM 529 CG LEU A 130 25.829 10.560 -8.751 1.00 54.43 C ATOM 530 CD1 LEU A 130 26.341 9.929 -7.466 1.00 54.52 C ATOM 531 CD2 LEU A 130 26.521 11.892 -9.006 1.00 41.21 C ATOM 0 H LEU A 130 23.137 10.566 -10.702 1.00 74.45 H new ATOM 0 HA LEU A 130 25.171 10.682 -11.586 1.00 43.21 H new ATOM 0 HB2 LEU A 130 26.018 8.590 -9.562 1.00 53.31 H new ATOM 0 HB3 LEU A 130 27.033 9.787 -10.341 1.00 53.31 H new ATOM 0 HG LEU A 130 24.760 10.743 -8.640 1.00 54.43 H new ATOM 0 HD11 LEU A 130 26.184 10.617 -6.635 1.00 54.52 H new ATOM 0 HD12 LEU A 130 25.801 9.002 -7.276 1.00 54.52 H new ATOM 0 HD13 LEU A 130 27.405 9.715 -7.564 1.00 54.52 H new ATOM 0 HD21 LEU A 130 26.363 12.553 -8.154 1.00 41.21 H new ATOM 0 HD22 LEU A 130 27.590 11.726 -9.143 1.00 41.21 H new ATOM 0 HD23 LEU A 130 26.107 12.351 -9.904 1.00 41.21 H new ATOM 543 N ASN A 131 24.153 8.155 -12.699 1.00 1.10 N ATOM 544 CA ASN A 131 24.224 7.081 -13.683 1.00 53.03 C ATOM 545 C ASN A 131 23.270 7.346 -14.845 1.00 62.50 C ATOM 546 O ASN A 131 22.845 6.419 -15.537 1.00 50.40 O ATOM 547 CB ASN A 131 23.888 5.739 -13.030 1.00 13.34 C ATOM 548 CG ASN A 131 25.100 5.087 -12.394 1.00 63.44 C ATOM 549 OD1 ASN A 131 26.236 5.510 -12.616 1.00 14.52 O ATOM 550 ND2 ASN A 131 24.866 4.050 -11.599 1.00 32.35 N ATOM 0 H ASN A 131 23.214 8.518 -12.538 1.00 1.10 H new ATOM 0 HA ASN A 131 25.242 7.044 -14.071 1.00 53.03 H new ATOM 0 HB2 ASN A 131 23.120 5.889 -12.272 1.00 13.34 H new ATOM 0 HB3 ASN A 131 23.469 5.068 -13.780 1.00 13.34 H new ATOM 0 HD21 ASN A 131 25.643 3.570 -11.144 1.00 32.35 H new ATOM 0 HD22 ASN A 131 23.909 3.733 -11.443 1.00 32.35 H new ATOM 557 N CYS A 132 22.940 8.615 -15.055 1.00 60.14 N ATOM 558 CA CYS A 132 22.038 9.003 -16.134 1.00 23.10 C ATOM 559 C CYS A 132 22.532 10.270 -16.827 1.00 3.14 C ATOM 560 O CYS A 132 21.851 10.821 -17.691 1.00 63.35 O ATOM 561 CB CYS A 132 20.625 9.223 -15.590 1.00 45.32 C ATOM 562 SG CYS A 132 19.401 8.016 -16.193 1.00 14.13 S ATOM 0 H CYS A 132 23.283 9.393 -14.492 1.00 60.14 H new ATOM 0 HA CYS A 132 22.017 8.195 -16.866 1.00 23.10 H new ATOM 0 HB2 CYS A 132 20.656 9.181 -14.501 1.00 45.32 H new ATOM 0 HB3 CYS A 132 20.295 10.226 -15.861 1.00 45.32 H new TER 567 CYS A 132