USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 96 THR OG1 : rot -37:sc= 0.0354! USER MOD Single : A 98 ASN : amide:sc= -0.0264 K(o=-0.026,f=-0.83) 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= -0.171 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 150:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.237 21.378 -20.303 1.00 70.34 N ATOM 2 CA CYS A 93 8.529 20.960 -18.938 1.00 13.23 C ATOM 3 C CYS A 93 9.975 21.281 -18.568 1.00 15.00 C ATOM 4 O CYS A 93 10.743 21.776 -19.393 1.00 53.33 O ATOM 5 CB CYS A 93 8.271 19.461 -18.774 1.00 10.01 C ATOM 6 SG CYS A 93 9.059 18.427 -20.050 1.00 51.21 S ATOM 0 HA CYS A 93 7.869 21.511 -18.268 1.00 13.23 H new ATOM 0 HB2 CYS A 93 8.630 19.147 -17.794 1.00 10.01 H new ATOM 0 HB3 CYS A 93 7.196 19.284 -18.791 1.00 10.01 H new ATOM 11 N VAL A 94 10.338 20.997 -17.322 1.00 31.45 N ATOM 12 CA VAL A 94 11.692 21.254 -16.843 1.00 35.41 C ATOM 13 C VAL A 94 12.652 20.160 -17.297 1.00 4.30 C ATOM 14 O VAL A 94 12.376 18.972 -17.139 1.00 75.20 O ATOM 15 CB VAL A 94 11.734 21.352 -15.306 1.00 52.34 C ATOM 16 CG1 VAL A 94 13.113 20.980 -14.785 1.00 11.31 C ATOM 17 CG2 VAL A 94 11.342 22.750 -14.852 1.00 32.32 C ATOM 0 H VAL A 94 9.714 20.589 -16.626 1.00 31.45 H new ATOM 0 HA VAL A 94 12.003 22.207 -17.270 1.00 35.41 H new ATOM 0 HB VAL A 94 11.014 20.645 -14.893 1.00 52.34 H new ATOM 0 HG11 VAL A 94 13.124 21.055 -13.698 1.00 11.31 H new ATOM 0 HG12 VAL A 94 13.350 19.958 -15.081 1.00 11.31 H new ATOM 0 HG13 VAL A 94 13.855 21.660 -15.203 1.00 11.31 H new ATOM 0 HG21 VAL A 94 11.377 22.802 -13.764 1.00 32.32 H new ATOM 0 HG22 VAL A 94 12.036 23.477 -15.273 1.00 32.32 H new ATOM 0 HG23 VAL A 94 10.331 22.974 -15.194 1.00 32.32 H new ATOM 27 N ALA A 95 13.782 20.572 -17.863 1.00 63.52 N ATOM 28 CA ALA A 95 14.786 19.627 -18.339 1.00 23.14 C ATOM 29 C ALA A 95 15.584 19.043 -17.177 1.00 42.31 C ATOM 30 O ALA A 95 15.498 17.849 -16.889 1.00 53.45 O ATOM 31 CB ALA A 95 15.717 20.303 -19.334 1.00 53.41 C ATOM 0 H ALA A 95 14.025 21.553 -18.003 1.00 63.52 H new ATOM 0 HA ALA A 95 14.270 18.808 -18.840 1.00 23.14 H new ATOM 0 HB1 ALA A 95 16.461 19.586 -19.681 1.00 53.41 H new ATOM 0 HB2 ALA A 95 15.139 20.666 -20.184 1.00 53.41 H new ATOM 0 HB3 ALA A 95 16.219 21.142 -18.851 1.00 53.41 H new ATOM 37 N THR A 96 16.362 19.892 -16.514 1.00 3.42 N ATOM 38 CA THR A 96 17.177 19.460 -15.385 1.00 42.33 C ATOM 39 C THR A 96 17.634 20.651 -14.549 1.00 75.53 C ATOM 40 O THR A 96 17.860 21.740 -15.075 1.00 43.34 O ATOM 41 CB THR A 96 18.414 18.672 -15.855 1.00 71.42 C ATOM 42 OG1 THR A 96 18.061 17.807 -16.940 1.00 14.41 O ATOM 43 CG2 THR A 96 18.997 17.851 -14.714 1.00 44.15 C ATOM 0 H THR A 96 16.445 20.883 -16.739 1.00 3.42 H new ATOM 0 HA THR A 96 16.552 18.809 -14.774 1.00 42.33 H new ATOM 0 HB THR A 96 19.167 19.386 -16.190 1.00 71.42 H new ATOM 0 HG1 THR A 96 17.163 17.445 -16.791 1.00 14.41 H new ATOM 0 HG21 THR A 96 19.870 17.303 -15.069 1.00 44.15 H new ATOM 0 HG22 THR A 96 19.292 18.515 -13.901 1.00 44.15 H new ATOM 0 HG23 THR A 96 18.248 17.146 -14.353 1.00 44.15 H new ATOM 51 N ARG A 97 17.769 20.435 -13.245 1.00 31.43 N ATOM 52 CA ARG A 97 18.199 21.490 -12.336 1.00 23.43 C ATOM 53 C ARG A 97 17.573 22.827 -12.721 1.00 40.01 C ATOM 54 O ARG A 97 18.228 23.867 -12.672 1.00 12.22 O ATOM 55 CB ARG A 97 19.724 21.609 -12.343 1.00 63.35 C ATOM 56 CG ARG A 97 20.287 22.156 -13.645 1.00 23.03 C ATOM 57 CD ARG A 97 20.692 21.036 -14.591 1.00 14.32 C ATOM 58 NE ARG A 97 20.529 21.418 -15.992 1.00 34.32 N ATOM 59 CZ ARG A 97 21.164 20.821 -16.995 1.00 10.34 C ATOM 60 NH1 ARG A 97 22.000 19.822 -16.752 1.00 61.45 N ATOM 61 NH2 ARG A 97 20.963 21.226 -18.242 1.00 74.41 N ATOM 0 H ARG A 97 17.587 19.538 -12.794 1.00 31.43 H new ATOM 0 HA ARG A 97 17.866 21.227 -11.332 1.00 23.43 H new ATOM 0 HB2 ARG A 97 20.033 22.257 -11.523 1.00 63.35 H new ATOM 0 HB3 ARG A 97 20.157 20.627 -12.154 1.00 63.35 H new ATOM 0 HG2 ARG A 97 19.542 22.789 -14.127 1.00 23.03 H new ATOM 0 HG3 ARG A 97 21.151 22.785 -13.433 1.00 23.03 H new ATOM 0 HD2 ARG A 97 21.732 20.765 -14.408 1.00 14.32 H new ATOM 0 HD3 ARG A 97 20.090 20.151 -14.384 1.00 14.32 H new ATOM 0 HE ARG A 97 19.893 22.185 -16.212 1.00 34.32 H new ATOM 0 HH11 ARG A 97 22.157 19.510 -15.794 1.00 61.45 H new ATOM 0 HH12 ARG A 97 22.486 19.365 -17.523 1.00 61.45 H new ATOM 0 HH21 ARG A 97 20.321 21.996 -18.431 1.00 74.41 H new ATOM 0 HH22 ARG A 97 21.450 20.768 -19.012 1.00 74.41 H new ATOM 75 N ASN A 98 16.301 22.790 -13.105 1.00 43.32 N ATOM 76 CA ASN A 98 15.587 24.000 -13.500 1.00 30.53 C ATOM 77 C ASN A 98 14.623 24.444 -12.404 1.00 11.15 C ATOM 78 O ASN A 98 14.716 25.563 -11.898 1.00 33.31 O ATOM 79 CB ASN A 98 14.820 23.761 -14.802 1.00 44.11 C ATOM 80 CG ASN A 98 14.750 25.005 -15.666 1.00 52.13 C ATOM 81 OD1 ASN A 98 14.919 26.123 -15.180 1.00 50.43 O ATOM 82 ND2 ASN A 98 14.498 24.815 -16.957 1.00 14.34 N ATOM 0 H ASN A 98 15.744 21.937 -13.151 1.00 43.32 H new ATOM 0 HA ASN A 98 16.320 24.791 -13.657 1.00 30.53 H new ATOM 0 HB2 ASN A 98 15.301 22.959 -15.362 1.00 44.11 H new ATOM 0 HB3 ASN A 98 13.809 23.426 -14.569 1.00 44.11 H new ATOM 0 HD21 ASN A 98 14.438 25.614 -17.588 1.00 14.34 H new ATOM 0 HD22 ASN A 98 14.365 23.870 -17.317 1.00 14.34 H new ATOM 89 N SER A 99 13.700 23.559 -12.041 1.00 11.44 N ATOM 90 CA SER A 99 12.716 23.862 -11.007 1.00 25.34 C ATOM 91 C SER A 99 11.978 22.598 -10.574 1.00 13.31 C ATOM 92 O SER A 99 11.735 21.701 -11.380 1.00 31.41 O ATOM 93 CB SER A 99 11.717 24.903 -11.513 1.00 10.25 C ATOM 94 OG SER A 99 11.049 25.535 -10.434 1.00 73.51 O ATOM 0 H SER A 99 13.613 22.627 -12.447 1.00 11.44 H new ATOM 0 HA SER A 99 13.244 24.267 -10.144 1.00 25.34 H new ATOM 0 HB2 SER A 99 12.238 25.651 -12.111 1.00 10.25 H new ATOM 0 HB3 SER A 99 10.988 24.424 -12.166 1.00 10.25 H new ATOM 0 HG SER A 99 10.417 26.197 -10.783 1.00 73.51 H new ATOM 100 N CYS A 100 11.623 22.538 -9.294 1.00 62.33 N ATOM 101 CA CYS A 100 10.913 21.386 -8.752 1.00 14.21 C ATOM 102 C CYS A 100 9.423 21.683 -8.611 1.00 71.23 C ATOM 103 O CYS A 100 8.904 22.621 -9.219 1.00 25.55 O ATOM 104 CB CYS A 100 11.496 20.993 -7.394 1.00 2.31 C ATOM 105 SG CYS A 100 11.773 19.204 -7.192 1.00 31.11 S ATOM 0 H CYS A 100 11.816 23.273 -8.614 1.00 62.33 H new ATOM 0 HA CYS A 100 11.037 20.555 -9.447 1.00 14.21 H new ATOM 0 HB2 CYS A 100 12.443 21.514 -7.253 1.00 2.31 H new ATOM 0 HB3 CYS A 100 10.823 21.336 -6.609 1.00 2.31 H new ATOM 110 N LYS A 101 8.739 20.879 -7.804 1.00 73.01 N ATOM 111 CA LYS A 101 7.308 21.055 -7.581 1.00 11.05 C ATOM 112 C LYS A 101 6.520 20.781 -8.857 1.00 44.23 C ATOM 113 O LYS A 101 6.069 21.697 -9.545 1.00 72.11 O ATOM 114 CB LYS A 101 7.020 22.474 -7.085 1.00 2.12 C ATOM 115 CG LYS A 101 6.624 22.538 -5.619 1.00 63.03 C ATOM 116 CD LYS A 101 7.803 22.238 -4.709 1.00 64.25 C ATOM 117 CE LYS A 101 8.761 23.417 -4.631 1.00 52.13 C ATOM 118 NZ LYS A 101 8.322 24.422 -3.624 1.00 44.21 N ATOM 0 H LYS A 101 9.152 20.099 -7.293 1.00 73.01 H new ATOM 0 HA LYS A 101 6.993 20.340 -6.821 1.00 11.05 H new ATOM 0 HB2 LYS A 101 7.905 23.091 -7.241 1.00 2.12 H new ATOM 0 HB3 LYS A 101 6.221 22.905 -7.688 1.00 2.12 H new ATOM 0 HG2 LYS A 101 6.230 23.528 -5.391 1.00 63.03 H new ATOM 0 HG3 LYS A 101 5.823 21.824 -5.426 1.00 63.03 H new ATOM 0 HD2 LYS A 101 7.440 21.996 -3.710 1.00 64.25 H new ATOM 0 HD3 LYS A 101 8.334 21.360 -5.077 1.00 64.25 H new ATOM 0 HE2 LYS A 101 9.758 23.058 -4.376 1.00 52.13 H new ATOM 0 HE3 LYS A 101 8.834 23.891 -5.610 1.00 52.13 H new ATOM 0 HZ1 LYS A 101 9.001 25.210 -3.601 1.00 44.21 H new ATOM 0 HZ2 LYS A 101 7.381 24.783 -3.881 1.00 44.21 H new ATOM 0 HZ3 LYS A 101 8.277 23.976 -2.685 1.00 44.21 H new ATOM 132 N PRO A 102 6.347 19.491 -9.182 1.00 4.23 N ATOM 133 CA PRO A 102 5.611 19.068 -10.376 1.00 54.03 C ATOM 134 C PRO A 102 4.115 19.340 -10.263 1.00 2.13 C ATOM 135 O PRO A 102 3.311 18.413 -10.180 1.00 55.14 O ATOM 136 CB PRO A 102 5.876 17.562 -10.441 1.00 23.25 C ATOM 137 CG PRO A 102 6.167 17.167 -9.034 1.00 51.33 C ATOM 138 CD PRO A 102 6.858 18.348 -8.408 1.00 34.24 C ATOM 0 HA PRO A 102 5.932 19.611 -11.265 1.00 54.03 H new ATOM 0 HB2 PRO A 102 5.012 17.025 -10.832 1.00 23.25 H new ATOM 0 HB3 PRO A 102 6.716 17.336 -11.097 1.00 23.25 H new ATOM 0 HG2 PRO A 102 5.249 16.923 -8.499 1.00 51.33 H new ATOM 0 HG3 PRO A 102 6.801 16.281 -9.000 1.00 51.33 H new ATOM 0 HD2 PRO A 102 6.617 18.440 -7.349 1.00 34.24 H new ATOM 0 HD3 PRO A 102 7.942 18.265 -8.482 1.00 34.24 H new ATOM 146 N ALA A 103 3.750 20.618 -10.259 1.00 0.23 N ATOM 147 CA ALA A 103 2.351 21.012 -10.158 1.00 14.43 C ATOM 148 C ALA A 103 1.822 21.513 -11.497 1.00 61.43 C ATOM 149 O ALA A 103 0.644 21.347 -11.813 1.00 20.13 O ATOM 150 CB ALA A 103 2.180 22.082 -9.088 1.00 53.03 C ATOM 0 H ALA A 103 4.404 21.398 -10.325 1.00 0.23 H new ATOM 0 HA ALA A 103 1.772 20.133 -9.875 1.00 14.43 H new ATOM 0 HB1 ALA A 103 1.130 22.367 -9.023 1.00 53.03 H new ATOM 0 HB2 ALA A 103 2.510 21.690 -8.126 1.00 53.03 H new ATOM 0 HB3 ALA A 103 2.778 22.956 -9.348 1.00 53.03 H new ATOM 156 N ALA A 104 2.702 22.125 -12.284 1.00 1.24 N ATOM 157 CA ALA A 104 2.324 22.649 -13.591 1.00 22.24 C ATOM 158 C ALA A 104 2.851 21.758 -14.711 1.00 4.40 C ATOM 159 O ALA A 104 2.704 22.076 -15.890 1.00 41.12 O ATOM 160 CB ALA A 104 2.837 24.070 -13.758 1.00 4.54 C ATOM 0 H ALA A 104 3.681 22.270 -12.039 1.00 1.24 H new ATOM 0 HA ALA A 104 1.236 22.659 -13.651 1.00 22.24 H new ATOM 0 HB1 ALA A 104 2.547 24.448 -14.738 1.00 4.54 H new ATOM 0 HB2 ALA A 104 2.408 24.705 -12.983 1.00 4.54 H new ATOM 0 HB3 ALA A 104 3.924 24.077 -13.673 1.00 4.54 H new ATOM 166 N ALA A 105 3.467 20.643 -14.334 1.00 62.01 N ATOM 167 CA ALA A 105 4.014 19.706 -15.308 1.00 3.34 C ATOM 168 C ALA A 105 5.378 20.170 -15.810 1.00 11.32 C ATOM 169 O ALA A 105 5.608 20.260 -17.015 1.00 21.44 O ATOM 170 CB ALA A 105 3.051 19.533 -16.473 1.00 24.23 C ATOM 0 H ALA A 105 3.600 20.366 -13.361 1.00 62.01 H new ATOM 0 HA ALA A 105 4.146 18.743 -14.815 1.00 3.34 H new ATOM 0 HB1 ALA A 105 3.472 18.831 -17.192 1.00 24.23 H new ATOM 0 HB2 ALA A 105 2.100 19.148 -16.105 1.00 24.23 H new ATOM 0 HB3 ALA A 105 2.890 20.496 -16.958 1.00 24.23 H new ATOM 176 N ALA A 106 6.276 20.467 -14.876 1.00 64.15 N ATOM 177 CA ALA A 106 7.617 20.921 -15.225 1.00 25.11 C ATOM 178 C ALA A 106 8.673 20.218 -14.377 1.00 41.13 C ATOM 179 O ALA A 106 9.078 20.721 -13.329 1.00 44.22 O ATOM 180 CB ALA A 106 7.723 22.429 -15.058 1.00 44.34 C ATOM 0 H ALA A 106 6.100 20.402 -13.874 1.00 64.15 H new ATOM 0 HA ALA A 106 7.799 20.668 -16.269 1.00 25.11 H new ATOM 0 HB1 ALA A 106 8.729 22.754 -15.322 1.00 44.34 H new ATOM 0 HB2 ALA A 106 7.000 22.919 -15.710 1.00 44.34 H new ATOM 0 HB3 ALA A 106 7.515 22.696 -14.022 1.00 44.34 H new ATOM 186 N CYS A 107 9.113 19.052 -14.837 1.00 35.44 N ATOM 187 CA CYS A 107 10.120 18.279 -14.121 1.00 62.42 C ATOM 188 C CYS A 107 10.441 16.984 -14.863 1.00 34.32 C ATOM 189 O CYS A 107 10.722 15.955 -14.246 1.00 10.33 O ATOM 190 CB CYS A 107 9.638 17.962 -12.704 1.00 23.42 C ATOM 191 SG CYS A 107 10.906 18.196 -11.418 1.00 11.13 S ATOM 0 H CYS A 107 8.788 18.622 -15.703 1.00 35.44 H new ATOM 0 HA CYS A 107 11.028 18.879 -14.063 1.00 62.42 H new ATOM 0 HB2 CYS A 107 8.781 18.594 -12.473 1.00 23.42 H new ATOM 0 HB3 CYS A 107 9.290 16.930 -12.673 1.00 23.42 H new ATOM 196 N CYS A 108 10.396 17.041 -16.189 1.00 44.41 N ATOM 197 CA CYS A 108 10.681 15.875 -17.016 1.00 14.11 C ATOM 198 C CYS A 108 12.048 15.288 -16.676 1.00 12.10 C ATOM 199 O CYS A 108 13.079 15.787 -17.127 1.00 41.13 O ATOM 200 CB CYS A 108 10.629 16.250 -18.498 1.00 32.50 C ATOM 201 SG CYS A 108 8.943 16.493 -19.145 1.00 64.31 S ATOM 0 H CYS A 108 10.164 17.884 -16.715 1.00 44.41 H new ATOM 0 HA CYS A 108 9.921 15.121 -16.812 1.00 14.11 H new ATOM 0 HB2 CYS A 108 11.201 17.166 -18.650 1.00 32.50 H new ATOM 0 HB3 CYS A 108 11.120 15.468 -19.077 1.00 32.50 H new ATOM 206 N ASP A 109 12.048 14.226 -15.878 1.00 52.21 N ATOM 207 CA ASP A 109 13.287 13.570 -15.479 1.00 12.33 C ATOM 208 C ASP A 109 13.002 12.378 -14.569 1.00 45.21 C ATOM 209 O ASP A 109 13.142 12.450 -13.349 1.00 2.04 O ATOM 210 CB ASP A 109 14.208 14.562 -14.766 1.00 33.04 C ATOM 211 CG ASP A 109 15.658 14.404 -15.178 1.00 25.01 C ATOM 212 OD1 ASP A 109 16.001 13.349 -15.750 1.00 31.34 O ATOM 213 OD2 ASP A 109 16.450 15.336 -14.928 1.00 4.42 O ATOM 0 H ASP A 109 11.204 13.801 -15.495 1.00 52.21 H new ATOM 0 HA ASP A 109 13.783 13.207 -16.379 1.00 12.33 H new ATOM 0 HB2 ASP A 109 13.880 15.579 -14.983 1.00 33.04 H new ATOM 0 HB3 ASP A 109 14.122 14.423 -13.688 1.00 33.04 H new ATOM 218 N PRO A 110 12.592 11.255 -15.177 1.00 32.32 N ATOM 219 CA PRO A 110 12.278 10.026 -14.441 1.00 63.03 C ATOM 220 C PRO A 110 13.522 9.369 -13.852 1.00 44.41 C ATOM 221 O PRO A 110 13.427 8.395 -13.106 1.00 3.52 O ATOM 222 CB PRO A 110 11.652 9.124 -15.508 1.00 11.11 C ATOM 223 CG PRO A 110 12.215 9.615 -16.797 1.00 54.14 C ATOM 224 CD PRO A 110 12.403 11.098 -16.629 1.00 70.40 C ATOM 0 HA PRO A 110 11.626 10.217 -13.588 1.00 63.03 H new ATOM 0 HB2 PRO A 110 11.904 8.077 -15.339 1.00 11.11 H new ATOM 0 HB3 PRO A 110 10.564 9.195 -15.498 1.00 11.11 H new ATOM 0 HG2 PRO A 110 13.162 9.125 -17.021 1.00 54.14 H new ATOM 0 HG3 PRO A 110 11.540 9.399 -17.625 1.00 54.14 H new ATOM 0 HD2 PRO A 110 13.266 11.460 -17.188 1.00 70.40 H new ATOM 0 HD3 PRO A 110 11.537 11.656 -16.984 1.00 70.40 H new ATOM 232 N CYS A 111 14.688 9.909 -14.192 1.00 13.22 N ATOM 233 CA CYS A 111 15.951 9.377 -13.697 1.00 71.14 C ATOM 234 C CYS A 111 16.574 10.318 -12.671 1.00 13.35 C ATOM 235 O CYS A 111 17.656 10.056 -12.149 1.00 23.55 O ATOM 236 CB CYS A 111 16.924 9.154 -14.857 1.00 73.50 C ATOM 237 SG CYS A 111 16.851 7.482 -15.577 1.00 13.13 S ATOM 0 H CYS A 111 14.784 10.716 -14.809 1.00 13.22 H new ATOM 0 HA CYS A 111 15.748 8.422 -13.212 1.00 71.14 H new ATOM 0 HB2 CYS A 111 16.714 9.884 -15.639 1.00 73.50 H new ATOM 0 HB3 CYS A 111 17.939 9.344 -14.508 1.00 73.50 H new ATOM 242 N ALA A 112 15.880 11.416 -12.386 1.00 5.23 N ATOM 243 CA ALA A 112 16.364 12.396 -11.421 1.00 34.04 C ATOM 244 C ALA A 112 15.449 12.463 -10.202 1.00 50.13 C ATOM 245 O ALA A 112 14.501 11.687 -10.082 1.00 22.42 O ATOM 246 CB ALA A 112 16.479 13.766 -12.072 1.00 74.31 C ATOM 0 H ALA A 112 14.982 11.649 -12.809 1.00 5.23 H new ATOM 0 HA ALA A 112 17.352 12.082 -11.085 1.00 34.04 H new ATOM 0 HB1 ALA A 112 16.841 14.488 -11.340 1.00 74.31 H new ATOM 0 HB2 ALA A 112 17.178 13.714 -12.907 1.00 74.31 H new ATOM 0 HB3 ALA A 112 15.501 14.079 -12.436 1.00 74.31 H new ATOM 252 N SER A 113 15.740 13.395 -9.300 1.00 51.31 N ATOM 253 CA SER A 113 14.946 13.560 -8.088 1.00 4.20 C ATOM 254 C SER A 113 14.942 15.017 -7.635 1.00 51.24 C ATOM 255 O SER A 113 15.778 15.815 -8.062 1.00 21.45 O ATOM 256 CB SER A 113 15.491 12.669 -6.971 1.00 5.02 C ATOM 257 OG SER A 113 14.791 12.885 -5.758 1.00 62.14 O ATOM 0 H SER A 113 16.520 14.047 -9.386 1.00 51.31 H new ATOM 0 HA SER A 113 13.921 13.264 -8.312 1.00 4.20 H new ATOM 0 HB2 SER A 113 15.405 11.622 -7.262 1.00 5.02 H new ATOM 0 HB3 SER A 113 16.552 12.873 -6.824 1.00 5.02 H new ATOM 0 HG SER A 113 15.158 12.302 -5.061 1.00 62.14 H new ATOM 263 N CYS A 114 13.994 15.359 -6.770 1.00 32.20 N ATOM 264 CA CYS A 114 13.879 16.718 -6.258 1.00 13.50 C ATOM 265 C CYS A 114 15.032 17.044 -5.313 1.00 2.12 C ATOM 266 O CYS A 114 15.069 16.573 -4.176 1.00 54.11 O ATOM 267 CB CYS A 114 12.544 16.902 -5.534 1.00 20.15 C ATOM 268 SG CYS A 114 12.035 18.640 -5.340 1.00 43.34 S ATOM 0 H CYS A 114 13.293 14.712 -6.408 1.00 32.20 H new ATOM 0 HA CYS A 114 13.923 17.403 -7.105 1.00 13.50 H new ATOM 0 HB2 CYS A 114 11.769 16.367 -6.083 1.00 20.15 H new ATOM 0 HB3 CYS A 114 12.612 16.442 -4.548 1.00 20.15 H new ATOM 273 N TYR A 115 15.971 17.853 -5.791 1.00 61.14 N ATOM 274 CA TYR A 115 17.126 18.240 -4.991 1.00 63.23 C ATOM 275 C TYR A 115 17.044 19.710 -4.591 1.00 21.30 C ATOM 276 O TYR A 115 16.519 20.540 -5.334 1.00 63.40 O ATOM 277 CB TYR A 115 18.420 17.983 -5.768 1.00 11.42 C ATOM 278 CG TYR A 115 19.635 18.644 -5.155 1.00 75.14 C ATOM 279 CD1 TYR A 115 20.334 18.034 -4.121 1.00 45.43 C ATOM 280 CD2 TYR A 115 20.083 19.877 -5.611 1.00 55.24 C ATOM 281 CE1 TYR A 115 21.443 18.634 -3.558 1.00 2.43 C ATOM 282 CE2 TYR A 115 21.192 20.484 -5.056 1.00 43.31 C ATOM 283 CZ TYR A 115 21.869 19.859 -4.030 1.00 23.14 C ATOM 284 OH TYR A 115 22.975 20.459 -3.472 1.00 42.12 O ATOM 0 H TYR A 115 15.955 18.253 -6.729 1.00 61.14 H new ATOM 0 HA TYR A 115 17.127 17.635 -4.084 1.00 63.23 H new ATOM 0 HB2 TYR A 115 18.592 16.908 -5.826 1.00 11.42 H new ATOM 0 HB3 TYR A 115 18.298 18.342 -6.790 1.00 11.42 H new ATOM 0 HD1 TYR A 115 20.004 17.074 -3.751 1.00 45.43 H new ATOM 0 HD2 TYR A 115 19.555 20.370 -6.414 1.00 55.24 H new ATOM 0 HE1 TYR A 115 21.974 18.148 -2.753 1.00 2.43 H new ATOM 0 HE2 TYR A 115 21.527 21.443 -5.423 1.00 43.31 H new ATOM 0 HH TYR A 115 23.143 21.315 -3.918 1.00 42.12 H new ATOM 294 N CYS A 116 17.566 20.024 -3.409 1.00 45.05 N ATOM 295 CA CYS A 116 17.553 21.393 -2.907 1.00 51.34 C ATOM 296 C CYS A 116 18.961 21.852 -2.544 1.00 4.34 C ATOM 297 O CYS A 116 19.856 21.034 -2.328 1.00 44.51 O ATOM 298 CB CYS A 116 16.637 21.501 -1.686 1.00 44.22 C ATOM 299 SG CYS A 116 14.934 20.928 -1.982 1.00 31.13 S ATOM 0 H CYS A 116 18.003 19.349 -2.782 1.00 45.05 H new ATOM 0 HA CYS A 116 17.172 22.041 -3.697 1.00 51.34 H new ATOM 0 HB2 CYS A 116 17.067 20.921 -0.870 1.00 44.22 H new ATOM 0 HB3 CYS A 116 16.608 22.540 -1.358 1.00 44.22 H new ATOM 304 N ARG A 117 19.150 23.166 -2.477 1.00 5.24 N ATOM 305 CA ARG A 117 20.450 23.735 -2.139 1.00 20.54 C ATOM 306 C ARG A 117 20.339 24.676 -0.943 1.00 55.40 C ATOM 307 O ARG A 117 19.309 24.721 -0.270 1.00 11.02 O ATOM 308 CB ARG A 117 21.030 24.484 -3.340 1.00 13.55 C ATOM 309 CG ARG A 117 19.999 25.301 -4.103 1.00 11.41 C ATOM 310 CD ARG A 117 19.738 26.639 -3.429 1.00 5.51 C ATOM 311 NE ARG A 117 19.494 27.702 -4.401 1.00 11.14 N ATOM 312 CZ ARG A 117 18.419 27.753 -5.180 1.00 22.12 C ATOM 313 NH1 ARG A 117 17.494 26.805 -5.102 1.00 3.33 N ATOM 314 NH2 ARG A 117 18.268 28.752 -6.039 1.00 75.12 N ATOM 0 H ARG A 117 18.420 23.856 -2.652 1.00 5.24 H new ATOM 0 HA ARG A 117 21.118 22.916 -1.873 1.00 20.54 H new ATOM 0 HB2 ARG A 117 21.824 25.147 -2.996 1.00 13.55 H new ATOM 0 HB3 ARG A 117 21.487 23.765 -4.020 1.00 13.55 H new ATOM 0 HG2 ARG A 117 20.347 25.468 -5.122 1.00 11.41 H new ATOM 0 HG3 ARG A 117 19.067 24.740 -4.172 1.00 11.41 H new ATOM 0 HD2 ARG A 117 18.878 26.549 -2.766 1.00 5.51 H new ATOM 0 HD3 ARG A 117 20.593 26.905 -2.808 1.00 5.51 H new ATOM 0 HE ARG A 117 20.187 28.446 -4.486 1.00 11.14 H new ATOM 0 HH11 ARG A 117 17.607 26.035 -4.443 1.00 3.33 H new ATOM 0 HH12 ARG A 117 16.670 26.846 -5.701 1.00 3.33 H new ATOM 0 HH21 ARG A 117 18.978 29.482 -6.102 1.00 75.12 H new ATOM 0 HH22 ARG A 117 17.442 28.790 -6.637 1.00 75.12 H new ATOM 328 N PHE A 118 21.405 25.426 -0.685 1.00 51.34 N ATOM 329 CA PHE A 118 21.427 26.365 0.430 1.00 31.10 C ATOM 330 C PHE A 118 20.059 27.015 0.621 1.00 35.44 C ATOM 331 O PHE A 118 19.439 26.883 1.678 1.00 65.40 O ATOM 332 CB PHE A 118 22.486 27.443 0.195 1.00 3.53 C ATOM 333 CG PHE A 118 23.875 27.012 0.574 1.00 34.43 C ATOM 334 CD1 PHE A 118 24.202 26.771 1.899 1.00 33.10 C ATOM 335 CD2 PHE A 118 24.852 26.848 -0.394 1.00 31.34 C ATOM 336 CE1 PHE A 118 25.478 26.374 2.252 1.00 71.33 C ATOM 337 CE2 PHE A 118 26.129 26.450 -0.047 1.00 4.53 C ATOM 338 CZ PHE A 118 26.443 26.214 1.277 1.00 30.42 C ATOM 0 H PHE A 118 22.265 25.402 -1.233 1.00 51.34 H new ATOM 0 HA PHE A 118 21.676 25.810 1.335 1.00 31.10 H new ATOM 0 HB2 PHE A 118 22.477 27.727 -0.857 1.00 3.53 H new ATOM 0 HB3 PHE A 118 22.221 28.332 0.767 1.00 3.53 H new ATOM 0 HD1 PHE A 118 23.451 26.895 2.665 1.00 33.10 H new ATOM 0 HD2 PHE A 118 24.613 27.033 -1.431 1.00 31.34 H new ATOM 0 HE1 PHE A 118 25.720 26.189 3.288 1.00 71.33 H new ATOM 0 HE2 PHE A 118 26.882 26.323 -0.811 1.00 4.53 H new ATOM 0 HZ PHE A 118 27.441 25.905 1.549 1.00 30.42 H new ATOM 348 N PHE A 119 19.593 27.716 -0.407 1.00 23.32 N ATOM 349 CA PHE A 119 18.301 28.387 -0.352 1.00 73.32 C ATOM 350 C PHE A 119 17.219 27.442 0.163 1.00 53.23 C ATOM 351 O PHE A 119 16.472 27.778 1.082 1.00 20.14 O ATOM 352 CB PHE A 119 17.917 28.913 -1.737 1.00 14.32 C ATOM 353 CG PHE A 119 17.136 30.196 -1.694 1.00 43.22 C ATOM 354 CD1 PHE A 119 17.648 31.313 -1.052 1.00 42.25 C ATOM 355 CD2 PHE A 119 15.892 30.285 -2.296 1.00 13.41 C ATOM 356 CE1 PHE A 119 16.933 32.495 -1.013 1.00 11.33 C ATOM 357 CE2 PHE A 119 15.172 31.465 -2.258 1.00 63.24 C ATOM 358 CZ PHE A 119 15.693 32.571 -1.615 1.00 62.45 C ATOM 0 H PHE A 119 20.092 27.834 -1.289 1.00 23.32 H new ATOM 0 HA PHE A 119 18.384 29.226 0.338 1.00 73.32 H new ATOM 0 HB2 PHE A 119 18.823 29.068 -2.323 1.00 14.32 H new ATOM 0 HB3 PHE A 119 17.328 28.155 -2.255 1.00 14.32 H new ATOM 0 HD1 PHE A 119 18.616 31.259 -0.577 1.00 42.25 H new ATOM 0 HD2 PHE A 119 15.480 29.424 -2.801 1.00 13.41 H new ATOM 0 HE1 PHE A 119 17.344 33.359 -0.512 1.00 11.33 H new ATOM 0 HE2 PHE A 119 14.203 31.522 -2.731 1.00 63.24 H new ATOM 0 HZ PHE A 119 15.132 33.493 -1.583 1.00 62.45 H new ATOM 368 N ARG A 120 17.140 26.259 -0.437 1.00 60.32 N ATOM 369 CA ARG A 120 16.149 25.265 -0.042 1.00 63.11 C ATOM 370 C ARG A 120 14.734 25.779 -0.293 1.00 1.25 C ATOM 371 O ARG A 120 13.765 25.250 0.252 1.00 4.10 O ATOM 372 CB ARG A 120 16.318 24.905 1.435 1.00 24.24 C ATOM 373 CG ARG A 120 16.940 23.536 1.662 1.00 55.24 C ATOM 374 CD ARG A 120 15.877 22.477 1.910 1.00 41.31 C ATOM 375 NE ARG A 120 16.335 21.451 2.843 1.00 53.14 N ATOM 376 CZ ARG A 120 15.581 20.433 3.244 1.00 44.40 C ATOM 377 NH1 ARG A 120 14.340 20.306 2.795 1.00 42.14 N ATOM 378 NH2 ARG A 120 16.069 19.541 4.096 1.00 71.20 N ATOM 0 H ARG A 120 17.751 25.965 -1.199 1.00 60.32 H new ATOM 0 HA ARG A 120 16.305 24.372 -0.647 1.00 63.11 H new ATOM 0 HB2 ARG A 120 16.939 25.661 1.916 1.00 24.24 H new ATOM 0 HB3 ARG A 120 15.343 24.937 1.922 1.00 24.24 H new ATOM 0 HG2 ARG A 120 17.537 23.258 0.794 1.00 55.24 H new ATOM 0 HG3 ARG A 120 17.618 23.580 2.514 1.00 55.24 H new ATOM 0 HD2 ARG A 120 14.978 22.951 2.305 1.00 41.31 H new ATOM 0 HD3 ARG A 120 15.602 22.010 0.964 1.00 41.31 H new ATOM 0 HE ARG A 120 17.286 21.520 3.207 1.00 53.14 H new ATOM 0 HH11 ARG A 120 13.962 20.991 2.140 1.00 42.14 H new ATOM 0 HH12 ARG A 120 13.763 19.524 3.104 1.00 42.14 H new ATOM 0 HH21 ARG A 120 17.023 19.636 4.443 1.00 71.20 H new ATOM 0 HH22 ARG A 120 15.490 18.760 4.404 1.00 71.20 H new ATOM 392 N SER A 121 14.624 26.814 -1.120 1.00 33.42 N ATOM 393 CA SER A 121 13.329 27.402 -1.439 1.00 73.32 C ATOM 394 C SER A 121 13.021 27.263 -2.927 1.00 32.10 C ATOM 395 O SER A 121 11.860 27.262 -3.335 1.00 4.41 O ATOM 396 CB SER A 121 13.302 28.877 -1.036 1.00 51.04 C ATOM 397 OG SER A 121 12.194 29.158 -0.200 1.00 13.12 O ATOM 0 H SER A 121 15.416 27.262 -1.581 1.00 33.42 H new ATOM 0 HA SER A 121 12.565 26.865 -0.876 1.00 73.32 H new ATOM 0 HB2 SER A 121 14.226 29.132 -0.518 1.00 51.04 H new ATOM 0 HB3 SER A 121 13.255 29.500 -1.929 1.00 51.04 H new ATOM 0 HG SER A 121 12.201 30.107 0.045 1.00 13.12 H new ATOM 403 N ALA A 122 14.071 27.146 -3.734 1.00 0.14 N ATOM 404 CA ALA A 122 13.915 27.005 -5.176 1.00 32.43 C ATOM 405 C ALA A 122 14.526 25.697 -5.669 1.00 13.22 C ATOM 406 O ALA A 122 15.383 25.695 -6.552 1.00 50.43 O ATOM 407 CB ALA A 122 14.546 28.188 -5.894 1.00 21.10 C ATOM 0 H ALA A 122 15.039 27.146 -3.413 1.00 0.14 H new ATOM 0 HA ALA A 122 12.849 26.985 -5.401 1.00 32.43 H new ATOM 0 HB1 ALA A 122 14.422 28.069 -6.970 1.00 21.10 H new ATOM 0 HB2 ALA A 122 14.061 29.110 -5.573 1.00 21.10 H new ATOM 0 HB3 ALA A 122 15.608 28.235 -5.654 1.00 21.10 H new ATOM 413 N CYS A 123 14.079 24.587 -5.092 1.00 61.51 N ATOM 414 CA CYS A 123 14.582 23.272 -5.471 1.00 23.22 C ATOM 415 C CYS A 123 14.354 23.010 -6.957 1.00 10.43 C ATOM 416 O CYS A 123 13.553 23.686 -7.602 1.00 14.44 O ATOM 417 CB CYS A 123 13.903 22.182 -4.640 1.00 13.55 C ATOM 418 SG CYS A 123 13.986 22.460 -2.841 1.00 13.15 S ATOM 0 H CYS A 123 13.369 24.572 -4.360 1.00 61.51 H new ATOM 0 HA CYS A 123 15.654 23.252 -5.276 1.00 23.22 H new ATOM 0 HB2 CYS A 123 12.857 22.111 -4.938 1.00 13.55 H new ATOM 0 HB3 CYS A 123 14.366 21.223 -4.871 1.00 13.55 H new ATOM 423 N TYR A 124 15.064 22.024 -7.494 1.00 2.50 N ATOM 424 CA TYR A 124 14.941 21.674 -8.904 1.00 30.34 C ATOM 425 C TYR A 124 15.196 20.185 -9.120 1.00 65.10 C ATOM 426 O TYR A 124 15.783 19.514 -8.270 1.00 41.32 O ATOM 427 CB TYR A 124 15.919 22.497 -9.743 1.00 2.50 C ATOM 428 CG TYR A 124 17.199 22.843 -9.016 1.00 52.13 C ATOM 429 CD1 TYR A 124 18.217 21.908 -8.879 1.00 30.41 C ATOM 430 CD2 TYR A 124 17.390 24.105 -8.466 1.00 64.44 C ATOM 431 CE1 TYR A 124 19.388 22.219 -8.215 1.00 23.34 C ATOM 432 CE2 TYR A 124 18.558 24.425 -7.802 1.00 54.43 C ATOM 433 CZ TYR A 124 19.554 23.479 -7.678 1.00 14.22 C ATOM 434 OH TYR A 124 20.719 23.794 -7.017 1.00 74.50 O ATOM 0 H TYR A 124 15.731 21.453 -6.974 1.00 2.50 H new ATOM 0 HA TYR A 124 13.923 21.900 -9.220 1.00 30.34 H new ATOM 0 HB2 TYR A 124 16.164 21.942 -10.648 1.00 2.50 H new ATOM 0 HB3 TYR A 124 15.429 23.419 -10.057 1.00 2.50 H new ATOM 0 HD1 TYR A 124 18.091 20.921 -9.299 1.00 30.41 H new ATOM 0 HD2 TYR A 124 16.612 24.848 -8.559 1.00 64.44 H new ATOM 0 HE1 TYR A 124 20.169 21.480 -8.117 1.00 23.34 H new ATOM 0 HE2 TYR A 124 18.691 25.411 -7.382 1.00 54.43 H new ATOM 0 HH TYR A 124 20.905 24.751 -7.120 1.00 74.50 H new ATOM 444 N CYS A 125 14.752 19.675 -10.263 1.00 70.23 N ATOM 445 CA CYS A 125 14.931 18.267 -10.593 1.00 71.42 C ATOM 446 C CYS A 125 16.389 17.967 -10.928 1.00 3.11 C ATOM 447 O CYS A 125 16.825 18.146 -12.066 1.00 72.02 O ATOM 448 CB CYS A 125 14.036 17.879 -11.773 1.00 52.52 C ATOM 449 SG CYS A 125 12.472 17.082 -11.288 1.00 55.52 S ATOM 0 H CYS A 125 14.265 20.217 -10.977 1.00 70.23 H new ATOM 0 HA CYS A 125 14.648 17.678 -9.721 1.00 71.42 H new ATOM 0 HB2 CYS A 125 13.811 18.773 -12.354 1.00 52.52 H new ATOM 0 HB3 CYS A 125 14.588 17.204 -12.427 1.00 52.52 H new ATOM 454 N ARG A 126 17.139 17.512 -9.930 1.00 11.31 N ATOM 455 CA ARG A 126 18.548 17.189 -10.117 1.00 4.21 C ATOM 456 C ARG A 126 18.780 15.684 -10.012 1.00 42.54 C ATOM 457 O ARG A 126 18.269 15.028 -9.104 1.00 45.41 O ATOM 458 CB ARG A 126 19.403 17.921 -9.081 1.00 1.50 C ATOM 459 CG ARG A 126 20.876 17.990 -9.447 1.00 4.11 C ATOM 460 CD ARG A 126 21.607 19.038 -8.622 1.00 50.23 C ATOM 461 NE ARG A 126 22.546 18.436 -7.679 1.00 11.22 N ATOM 462 CZ ARG A 126 23.540 19.104 -7.105 1.00 2.14 C ATOM 463 NH1 ARG A 126 23.724 20.388 -7.376 1.00 44.42 N ATOM 464 NH2 ARG A 126 24.353 18.487 -6.257 1.00 22.10 N ATOM 0 H ARG A 126 16.794 17.359 -8.983 1.00 11.31 H new ATOM 0 HA ARG A 126 18.840 17.515 -11.115 1.00 4.21 H new ATOM 0 HB2 ARG A 126 19.020 18.934 -8.957 1.00 1.50 H new ATOM 0 HB3 ARG A 126 19.300 17.421 -8.118 1.00 1.50 H new ATOM 0 HG2 ARG A 126 21.337 17.015 -9.290 1.00 4.11 H new ATOM 0 HG3 ARG A 126 20.978 18.224 -10.507 1.00 4.11 H new ATOM 0 HD2 ARG A 126 22.145 19.713 -9.288 1.00 50.23 H new ATOM 0 HD3 ARG A 126 20.881 19.640 -8.076 1.00 50.23 H new ATOM 0 HE ARG A 126 22.432 17.449 -7.449 1.00 11.22 H new ATOM 0 HH11 ARG A 126 23.101 20.866 -8.027 1.00 44.42 H new ATOM 0 HH12 ARG A 126 24.488 20.898 -6.933 1.00 44.42 H new ATOM 0 HH21 ARG A 126 24.215 17.499 -6.046 1.00 22.10 H new ATOM 0 HH22 ARG A 126 25.116 19.001 -5.817 1.00 22.10 H new ATOM 478 N VAL A 127 19.553 15.144 -10.949 1.00 30.21 N ATOM 479 CA VAL A 127 19.853 13.717 -10.962 1.00 74.32 C ATOM 480 C VAL A 127 20.838 13.352 -9.857 1.00 45.21 C ATOM 481 O VAL A 127 22.046 13.554 -9.996 1.00 54.52 O ATOM 482 CB VAL A 127 20.434 13.278 -12.319 1.00 3.02 C ATOM 483 CG1 VAL A 127 19.346 13.250 -13.382 1.00 25.22 C ATOM 484 CG2 VAL A 127 21.572 14.199 -12.733 1.00 62.51 C ATOM 0 H VAL A 127 19.982 15.673 -11.708 1.00 30.21 H new ATOM 0 HA VAL A 127 18.912 13.194 -10.792 1.00 74.32 H new ATOM 0 HB VAL A 127 20.833 12.269 -12.215 1.00 3.02 H new ATOM 0 HG11 VAL A 127 19.775 12.938 -14.334 1.00 25.22 H new ATOM 0 HG12 VAL A 127 18.567 12.547 -13.087 1.00 25.22 H new ATOM 0 HG13 VAL A 127 18.915 14.246 -13.488 1.00 25.22 H new ATOM 0 HG21 VAL A 127 21.971 13.875 -13.694 1.00 62.51 H new ATOM 0 HG22 VAL A 127 21.200 15.220 -12.820 1.00 62.51 H new ATOM 0 HG23 VAL A 127 22.361 14.163 -11.982 1.00 62.51 H new ATOM 494 N LEU A 128 20.317 12.813 -8.762 1.00 3.14 N ATOM 495 CA LEU A 128 21.151 12.419 -7.632 1.00 11.03 C ATOM 496 C LEU A 128 21.519 10.942 -7.715 1.00 75.44 C ATOM 497 O LEU A 128 21.819 10.308 -6.704 1.00 25.42 O ATOM 498 CB LEU A 128 20.427 12.702 -6.314 1.00 73.15 C ATOM 499 CG LEU A 128 19.852 14.110 -6.153 1.00 70.14 C ATOM 500 CD1 LEU A 128 18.479 14.054 -5.502 1.00 50.44 C ATOM 501 CD2 LEU A 128 20.796 14.982 -5.338 1.00 51.31 C ATOM 0 H LEU A 128 19.321 12.638 -8.632 1.00 3.14 H new ATOM 0 HA LEU A 128 22.069 13.006 -7.669 1.00 11.03 H new ATOM 0 HB2 LEU A 128 19.613 11.985 -6.208 1.00 73.15 H new ATOM 0 HB3 LEU A 128 21.122 12.519 -5.494 1.00 73.15 H new ATOM 0 HG LEU A 128 19.744 14.553 -7.143 1.00 70.14 H new ATOM 0 HD11 LEU A 128 18.085 15.065 -5.395 1.00 50.44 H new ATOM 0 HD12 LEU A 128 17.805 13.466 -6.125 1.00 50.44 H new ATOM 0 HD13 LEU A 128 18.561 13.591 -4.519 1.00 50.44 H new ATOM 0 HD21 LEU A 128 20.371 15.980 -5.234 1.00 51.31 H new ATOM 0 HD22 LEU A 128 20.936 14.542 -4.351 1.00 51.31 H new ATOM 0 HD23 LEU A 128 21.758 15.049 -5.845 1.00 51.31 H new ATOM 513 N SER A 129 21.494 10.399 -8.928 1.00 60.11 N ATOM 514 CA SER A 129 21.823 8.994 -9.144 1.00 74.11 C ATOM 515 C SER A 129 23.221 8.849 -9.740 1.00 14.22 C ATOM 516 O SER A 129 24.012 8.016 -9.298 1.00 74.55 O ATOM 517 CB SER A 129 20.792 8.344 -10.069 1.00 62.21 C ATOM 518 OG SER A 129 19.596 8.046 -9.370 1.00 64.42 O ATOM 0 H SER A 129 21.249 10.910 -9.776 1.00 60.11 H new ATOM 0 HA SER A 129 21.804 8.489 -8.178 1.00 74.11 H new ATOM 0 HB2 SER A 129 20.573 9.013 -10.902 1.00 62.21 H new ATOM 0 HB3 SER A 129 21.206 7.430 -10.494 1.00 62.21 H new ATOM 0 HG SER A 129 18.953 7.633 -9.983 1.00 64.42 H new ATOM 524 N LEU A 130 23.516 9.666 -10.744 1.00 41.21 N ATOM 525 CA LEU A 130 24.818 9.631 -11.400 1.00 71.05 C ATOM 526 C LEU A 130 25.058 8.277 -12.061 1.00 32.32 C ATOM 527 O LEU A 130 26.198 7.902 -12.334 1.00 35.40 O ATOM 528 CB LEU A 130 25.930 9.924 -10.391 1.00 71.24 C ATOM 529 CG LEU A 130 25.739 11.170 -9.526 1.00 22.44 C ATOM 530 CD1 LEU A 130 26.586 11.079 -8.266 1.00 13.03 C ATOM 531 CD2 LEU A 130 26.086 12.424 -10.314 1.00 25.31 C ATOM 0 H LEU A 130 22.872 10.361 -11.122 1.00 41.21 H new ATOM 0 HA LEU A 130 24.828 10.399 -12.173 1.00 71.05 H new ATOM 0 HB2 LEU A 130 26.033 9.061 -9.733 1.00 71.24 H new ATOM 0 HB3 LEU A 130 26.870 10.024 -10.935 1.00 71.24 H new ATOM 0 HG LEU A 130 24.691 11.228 -9.232 1.00 22.44 H new ATOM 0 HD11 LEU A 130 26.438 11.974 -7.662 1.00 13.03 H new ATOM 0 HD12 LEU A 130 26.291 10.201 -7.692 1.00 13.03 H new ATOM 0 HD13 LEU A 130 27.638 10.996 -8.540 1.00 13.03 H new ATOM 0 HD21 LEU A 130 25.944 13.301 -9.683 1.00 25.31 H new ATOM 0 HD22 LEU A 130 27.126 12.374 -10.638 1.00 25.31 H new ATOM 0 HD23 LEU A 130 25.437 12.496 -11.187 1.00 25.31 H new ATOM 543 N ASN A 131 23.976 7.549 -12.316 1.00 32.32 N ATOM 544 CA ASN A 131 24.069 6.236 -12.945 1.00 42.52 C ATOM 545 C ASN A 131 23.280 6.202 -14.250 1.00 64.41 C ATOM 546 O ASN A 131 23.662 5.520 -15.202 1.00 2.33 O ATOM 547 CB ASN A 131 23.552 5.155 -11.995 1.00 73.42 C ATOM 548 CG ASN A 131 24.600 4.715 -10.992 1.00 65.42 C ATOM 549 OD1 ASN A 131 25.730 4.391 -11.360 1.00 73.21 O ATOM 550 ND2 ASN A 131 24.231 4.704 -9.717 1.00 33.41 N ATOM 0 H ASN A 131 23.025 7.845 -12.097 1.00 32.32 H new ATOM 0 HA ASN A 131 25.118 6.041 -13.170 1.00 42.52 H new ATOM 0 HB2 ASN A 131 22.679 5.531 -11.462 1.00 73.42 H new ATOM 0 HB3 ASN A 131 23.224 4.292 -12.575 1.00 73.42 H new ATOM 0 HD21 ASN A 131 24.894 4.419 -8.997 1.00 33.41 H new ATOM 0 HD22 ASN A 131 23.284 4.981 -9.458 1.00 33.41 H new ATOM 557 N CYS A 132 22.178 6.943 -14.290 1.00 11.24 N ATOM 558 CA CYS A 132 21.335 7.000 -15.477 1.00 32.43 C ATOM 559 C CYS A 132 21.775 8.128 -16.405 1.00 22.04 C ATOM 560 O CYS A 132 21.872 9.283 -15.990 1.00 1.34 O ATOM 561 CB CYS A 132 19.870 7.193 -15.080 1.00 0.12 C ATOM 562 SG CYS A 132 18.714 7.212 -16.487 1.00 71.02 S ATOM 0 H CYS A 132 21.848 7.514 -13.512 1.00 11.24 H new ATOM 0 HA CYS A 132 21.438 6.055 -16.010 1.00 32.43 H new ATOM 0 HB2 CYS A 132 19.581 6.394 -14.397 1.00 0.12 H new ATOM 0 HB3 CYS A 132 19.774 8.130 -14.532 1.00 0.12 H new