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 -33:sc= 0.109! USER MOD Single : A 98 ASN : amide:sc=-0.00675 K(o=-0.0067,f=-1.4) 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 : amide:sc= -0.08 K(o=-0.08,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.170 20.534 -20.173 1.00 70.13 N ATOM 2 CA CYS A 93 8.383 20.418 -18.737 1.00 31.03 C ATOM 3 C CYS A 93 9.828 20.746 -18.373 1.00 13.33 C ATOM 4 O CYS A 93 10.630 21.109 -19.234 1.00 51.32 O ATOM 5 CB CYS A 93 8.034 19.006 -18.260 1.00 42.53 C ATOM 6 SG CYS A 93 8.537 17.688 -19.412 1.00 75.42 S ATOM 0 HA CYS A 93 7.729 21.135 -18.240 1.00 31.03 H new ATOM 0 HB2 CYS A 93 8.510 18.832 -17.295 1.00 42.53 H new ATOM 0 HB3 CYS A 93 6.958 18.943 -18.100 1.00 42.53 H new ATOM 11 N VAL A 94 10.154 20.616 -17.090 1.00 52.33 N ATOM 12 CA VAL A 94 11.503 20.898 -16.612 1.00 52.05 C ATOM 13 C VAL A 94 12.494 19.860 -17.124 1.00 62.40 C ATOM 14 O VAL A 94 12.287 18.657 -16.966 1.00 3.13 O ATOM 15 CB VAL A 94 11.557 20.929 -15.073 1.00 51.14 C ATOM 16 CG1 VAL A 94 12.980 20.710 -14.584 1.00 45.32 C ATOM 17 CG2 VAL A 94 11.000 22.244 -14.547 1.00 63.54 C ATOM 0 H VAL A 94 9.503 20.317 -16.364 1.00 52.33 H new ATOM 0 HA VAL A 94 11.778 21.880 -16.997 1.00 52.05 H new ATOM 0 HB VAL A 94 10.938 20.119 -14.689 1.00 51.14 H new ATOM 0 HG11 VAL A 94 12.998 20.735 -13.494 1.00 45.32 H new ATOM 0 HG12 VAL A 94 13.339 19.741 -14.931 1.00 45.32 H new ATOM 0 HG13 VAL A 94 13.625 21.497 -14.976 1.00 45.32 H new ATOM 0 HG21 VAL A 94 11.046 22.249 -13.458 1.00 63.54 H new ATOM 0 HG22 VAL A 94 11.591 23.072 -14.939 1.00 63.54 H new ATOM 0 HG23 VAL A 94 9.964 22.354 -14.867 1.00 63.54 H new ATOM 27 N ALA A 95 13.575 20.333 -17.737 1.00 35.13 N ATOM 28 CA ALA A 95 14.602 19.446 -18.269 1.00 54.34 C ATOM 29 C ALA A 95 15.446 18.849 -17.149 1.00 62.33 C ATOM 30 O ALA A 95 15.391 17.647 -16.888 1.00 12.33 O ATOM 31 CB ALA A 95 15.484 20.193 -19.258 1.00 54.41 C ATOM 0 H ALA A 95 13.762 21.326 -17.877 1.00 35.13 H new ATOM 0 HA ALA A 95 14.106 18.627 -18.789 1.00 54.34 H new ATOM 0 HB1 ALA A 95 16.246 19.518 -19.647 1.00 54.41 H new ATOM 0 HB2 ALA A 95 14.874 20.565 -20.081 1.00 54.41 H new ATOM 0 HB3 ALA A 95 15.965 21.032 -18.755 1.00 54.41 H new ATOM 37 N THR A 96 16.230 19.697 -16.490 1.00 23.03 N ATOM 38 CA THR A 96 17.088 19.253 -15.399 1.00 24.44 C ATOM 39 C THR A 96 17.538 20.429 -14.539 1.00 44.33 C ATOM 40 O THR A 96 17.781 21.524 -15.047 1.00 52.41 O ATOM 41 CB THR A 96 18.332 18.513 -15.928 1.00 31.33 C ATOM 42 OG1 THR A 96 17.958 17.619 -16.982 1.00 41.13 O ATOM 43 CG2 THR A 96 19.012 17.733 -14.813 1.00 0.10 C ATOM 0 H THR A 96 16.288 20.695 -16.693 1.00 23.03 H new ATOM 0 HA THR A 96 16.497 18.568 -14.792 1.00 24.44 H new ATOM 0 HB THR A 96 19.033 19.254 -16.312 1.00 31.33 H new ATOM 0 HG1 THR A 96 17.058 17.271 -16.812 1.00 41.13 H new ATOM 0 HG21 THR A 96 19.887 17.219 -15.210 1.00 0.10 H new ATOM 0 HG22 THR A 96 19.321 18.420 -14.025 1.00 0.10 H new ATOM 0 HG23 THR A 96 18.316 17.001 -14.404 1.00 0.10 H new ATOM 51 N ARG A 97 17.648 20.196 -13.236 1.00 24.43 N ATOM 52 CA ARG A 97 18.069 21.237 -12.307 1.00 33.54 C ATOM 53 C ARG A 97 17.479 22.588 -12.700 1.00 74.32 C ATOM 54 O ARG A 97 18.159 23.612 -12.650 1.00 63.53 O ATOM 55 CB ARG A 97 19.595 21.327 -12.265 1.00 45.25 C ATOM 56 CG ARG A 97 20.210 21.839 -13.558 1.00 5.12 C ATOM 57 CD ARG A 97 20.592 20.696 -14.484 1.00 61.20 C ATOM 58 NE ARG A 97 21.983 20.784 -14.918 1.00 63.10 N ATOM 59 CZ ARG A 97 22.415 21.646 -15.831 1.00 3.54 C ATOM 60 NH1 ARG A 97 21.569 22.492 -16.403 1.00 15.15 N ATOM 61 NH2 ARG A 97 23.698 21.666 -16.172 1.00 41.14 N ATOM 0 H ARG A 97 17.451 19.295 -12.799 1.00 24.43 H new ATOM 0 HA ARG A 97 17.701 20.974 -11.315 1.00 33.54 H new ATOM 0 HB2 ARG A 97 19.890 21.984 -11.447 1.00 45.25 H new ATOM 0 HB3 ARG A 97 20.003 20.341 -12.044 1.00 45.25 H new ATOM 0 HG2 ARG A 97 19.503 22.497 -14.063 1.00 5.12 H new ATOM 0 HG3 ARG A 97 21.094 22.435 -13.331 1.00 5.12 H new ATOM 0 HD2 ARG A 97 20.431 19.747 -13.973 1.00 61.20 H new ATOM 0 HD3 ARG A 97 19.939 20.703 -15.357 1.00 61.20 H new ATOM 0 HE ARG A 97 22.660 20.148 -14.497 1.00 63.10 H new ATOM 0 HH11 ARG A 97 20.583 22.482 -16.142 1.00 15.15 H new ATOM 0 HH12 ARG A 97 21.904 23.153 -17.104 1.00 15.15 H new ATOM 0 HH21 ARG A 97 24.353 21.019 -15.733 1.00 41.14 H new ATOM 0 HH22 ARG A 97 24.029 22.328 -16.873 1.00 41.14 H new ATOM 75 N ASN A 98 16.209 22.582 -13.091 1.00 32.43 N ATOM 76 CA ASN A 98 15.527 23.806 -13.494 1.00 43.10 C ATOM 77 C ASN A 98 14.641 24.332 -12.369 1.00 23.32 C ATOM 78 O ASN A 98 14.913 25.384 -11.790 1.00 61.35 O ATOM 79 CB ASN A 98 14.685 23.557 -14.747 1.00 72.13 C ATOM 80 CG ASN A 98 14.453 24.823 -15.549 1.00 44.31 C ATOM 81 OD1 ASN A 98 14.282 25.905 -14.986 1.00 63.23 O ATOM 82 ND2 ASN A 98 14.445 24.693 -16.871 1.00 5.53 N ATOM 0 H ASN A 98 15.631 21.743 -13.137 1.00 32.43 H new ATOM 0 HA ASN A 98 16.285 24.557 -13.717 1.00 43.10 H new ATOM 0 HB2 ASN A 98 15.183 22.818 -15.375 1.00 72.13 H new ATOM 0 HB3 ASN A 98 13.724 23.133 -14.457 1.00 72.13 H new ATOM 0 HD21 ASN A 98 14.293 25.510 -17.463 1.00 5.53 H new ATOM 0 HD22 ASN A 98 14.591 23.777 -17.294 1.00 5.53 H new ATOM 89 N SER A 99 13.580 23.592 -12.063 1.00 63.51 N ATOM 90 CA SER A 99 12.653 23.983 -11.010 1.00 15.25 C ATOM 91 C SER A 99 11.877 22.776 -10.490 1.00 25.01 C ATOM 92 O SER A 99 11.584 21.843 -11.239 1.00 3.33 O ATOM 93 CB SER A 99 11.678 25.045 -11.526 1.00 64.44 C ATOM 94 OG SER A 99 10.721 25.382 -10.539 1.00 33.44 O ATOM 0 H SER A 99 13.342 22.717 -12.531 1.00 63.51 H new ATOM 0 HA SER A 99 13.234 24.401 -10.188 1.00 15.25 H new ATOM 0 HB2 SER A 99 12.230 25.937 -11.821 1.00 64.44 H new ATOM 0 HB3 SER A 99 11.171 24.675 -12.417 1.00 64.44 H new ATOM 0 HG SER A 99 10.112 26.063 -10.893 1.00 33.44 H new ATOM 100 N CYS A 100 11.550 22.800 -9.203 1.00 71.12 N ATOM 101 CA CYS A 100 10.809 21.709 -8.581 1.00 2.21 C ATOM 102 C CYS A 100 9.330 22.057 -8.455 1.00 53.44 C ATOM 103 O CYS A 100 8.863 23.049 -9.018 1.00 32.23 O ATOM 104 CB CYS A 100 11.389 21.393 -7.201 1.00 44.23 C ATOM 105 SG CYS A 100 12.248 19.790 -7.105 1.00 32.55 S ATOM 0 H CYS A 100 11.787 23.564 -8.570 1.00 71.12 H new ATOM 0 HA CYS A 100 10.904 20.830 -9.218 1.00 2.21 H new ATOM 0 HB2 CYS A 100 12.085 22.184 -6.922 1.00 44.23 H new ATOM 0 HB3 CYS A 100 10.582 21.405 -6.468 1.00 44.23 H new ATOM 110 N LYS A 101 8.594 21.235 -7.714 1.00 3.34 N ATOM 111 CA LYS A 101 7.167 21.456 -7.511 1.00 42.05 C ATOM 112 C LYS A 101 6.415 21.396 -8.837 1.00 11.53 C ATOM 113 O LYS A 101 5.997 22.416 -9.387 1.00 60.13 O ATOM 114 CB LYS A 101 6.930 22.810 -6.838 1.00 21.24 C ATOM 115 CG LYS A 101 7.628 22.952 -5.497 1.00 21.13 C ATOM 116 CD LYS A 101 8.864 23.829 -5.602 1.00 25.22 C ATOM 117 CE LYS A 101 9.669 23.814 -4.311 1.00 24.03 C ATOM 118 NZ LYS A 101 10.725 24.863 -4.304 1.00 25.20 N ATOM 0 H LYS A 101 8.963 20.409 -7.244 1.00 3.34 H new ATOM 0 HA LYS A 101 6.790 20.665 -6.863 1.00 42.05 H new ATOM 0 HB2 LYS A 101 7.274 23.602 -7.503 1.00 21.24 H new ATOM 0 HB3 LYS A 101 5.859 22.954 -6.698 1.00 21.24 H new ATOM 0 HG2 LYS A 101 6.938 23.380 -4.770 1.00 21.13 H new ATOM 0 HG3 LYS A 101 7.910 21.967 -5.127 1.00 21.13 H new ATOM 0 HD2 LYS A 101 9.488 23.483 -6.426 1.00 25.22 H new ATOM 0 HD3 LYS A 101 8.567 24.852 -5.835 1.00 25.22 H new ATOM 0 HE2 LYS A 101 9.000 23.966 -3.464 1.00 24.03 H new ATOM 0 HE3 LYS A 101 10.129 22.834 -4.181 1.00 24.03 H new ATOM 0 HZ1 LYS A 101 11.251 24.820 -3.408 1.00 25.20 H new ATOM 0 HZ2 LYS A 101 11.378 24.703 -5.097 1.00 25.20 H new ATOM 0 HZ3 LYS A 101 10.284 25.800 -4.402 1.00 25.20 H new ATOM 132 N PRO A 102 6.235 20.175 -9.362 1.00 53.41 N ATOM 133 CA PRO A 102 5.530 19.955 -10.628 1.00 42.42 C ATOM 134 C PRO A 102 4.035 20.234 -10.515 1.00 54.14 C ATOM 135 O PRO A 102 3.232 19.313 -10.372 1.00 34.24 O ATOM 136 CB PRO A 102 5.776 18.472 -10.919 1.00 3.13 C ATOM 137 CG PRO A 102 6.019 17.861 -9.582 1.00 20.14 C ATOM 138 CD PRO A 102 6.706 18.917 -8.761 1.00 31.34 C ATOM 0 HA PRO A 102 5.886 20.622 -11.413 1.00 42.42 H new ATOM 0 HB2 PRO A 102 4.917 18.017 -11.412 1.00 3.13 H new ATOM 0 HB3 PRO A 102 6.632 18.334 -11.579 1.00 3.13 H new ATOM 0 HG2 PRO A 102 5.082 17.554 -9.117 1.00 20.14 H new ATOM 0 HG3 PRO A 102 6.639 16.969 -9.668 1.00 20.14 H new ATOM 0 HD2 PRO A 102 6.434 18.848 -7.708 1.00 31.34 H new ATOM 0 HD3 PRO A 102 7.791 18.827 -8.816 1.00 31.34 H new ATOM 146 N ALA A 103 3.669 21.510 -10.583 1.00 32.11 N ATOM 147 CA ALA A 103 2.269 21.909 -10.491 1.00 24.43 C ATOM 148 C ALA A 103 1.403 21.101 -11.451 1.00 45.04 C ATOM 149 O ALA A 103 0.326 20.635 -11.087 1.00 74.45 O ATOM 150 CB ALA A 103 2.126 23.397 -10.771 1.00 2.31 C ATOM 0 H ALA A 103 4.322 22.285 -10.701 1.00 32.11 H new ATOM 0 HA ALA A 103 1.925 21.707 -9.477 1.00 24.43 H new ATOM 0 HB1 ALA A 103 1.076 23.682 -10.699 1.00 2.31 H new ATOM 0 HB2 ALA A 103 2.706 23.962 -10.041 1.00 2.31 H new ATOM 0 HB3 ALA A 103 2.493 23.615 -11.774 1.00 2.31 H new ATOM 156 N ALA A 104 1.883 20.942 -12.681 1.00 64.21 N ATOM 157 CA ALA A 104 1.154 20.190 -13.694 1.00 54.23 C ATOM 158 C ALA A 104 2.100 19.338 -14.533 1.00 31.22 C ATOM 159 O ALA A 104 1.789 18.195 -14.869 1.00 51.34 O ATOM 160 CB ALA A 104 0.361 21.136 -14.585 1.00 62.32 C ATOM 0 H ALA A 104 2.774 21.324 -12.999 1.00 64.21 H new ATOM 0 HA ALA A 104 0.460 19.521 -13.185 1.00 54.23 H new ATOM 0 HB1 ALA A 104 -0.179 20.561 -15.337 1.00 62.32 H new ATOM 0 HB2 ALA A 104 -0.350 21.697 -13.978 1.00 62.32 H new ATOM 0 HB3 ALA A 104 1.043 21.829 -15.078 1.00 62.32 H new ATOM 166 N ALA A 105 3.255 19.901 -14.869 1.00 24.22 N ATOM 167 CA ALA A 105 4.248 19.193 -15.668 1.00 31.53 C ATOM 168 C ALA A 105 5.544 19.990 -15.768 1.00 31.34 C ATOM 169 O ALA A 105 5.889 20.500 -16.832 1.00 42.35 O ATOM 170 CB ALA A 105 3.697 18.901 -17.056 1.00 12.24 C ATOM 0 H ALA A 105 3.527 20.847 -14.600 1.00 24.22 H new ATOM 0 HA ALA A 105 4.471 18.249 -15.171 1.00 31.53 H new ATOM 0 HB1 ALA A 105 4.449 18.372 -17.642 1.00 12.24 H new ATOM 0 HB2 ALA A 105 2.803 18.283 -16.970 1.00 12.24 H new ATOM 0 HB3 ALA A 105 3.444 19.838 -17.552 1.00 12.24 H new ATOM 176 N ALA A 106 6.258 20.092 -14.650 1.00 74.21 N ATOM 177 CA ALA A 106 7.516 20.825 -14.613 1.00 11.53 C ATOM 178 C ALA A 106 8.585 20.045 -13.857 1.00 63.44 C ATOM 179 O ALA A 106 9.249 20.580 -12.970 1.00 23.44 O ATOM 180 CB ALA A 106 7.312 22.193 -13.978 1.00 14.21 C ATOM 0 H ALA A 106 5.985 19.676 -13.759 1.00 74.21 H new ATOM 0 HA ALA A 106 7.858 20.959 -15.639 1.00 11.53 H new ATOM 0 HB1 ALA A 106 8.261 22.730 -13.957 1.00 14.21 H new ATOM 0 HB2 ALA A 106 6.587 22.760 -14.561 1.00 14.21 H new ATOM 0 HB3 ALA A 106 6.942 22.070 -12.960 1.00 14.21 H new ATOM 186 N CYS A 107 8.745 18.774 -14.213 1.00 61.53 N ATOM 187 CA CYS A 107 9.733 17.917 -13.568 1.00 63.31 C ATOM 188 C CYS A 107 9.704 16.512 -14.161 1.00 75.51 C ATOM 189 O CYS A 107 9.615 15.521 -13.434 1.00 33.02 O ATOM 190 CB CYS A 107 9.476 17.853 -12.061 1.00 12.10 C ATOM 191 SG CYS A 107 10.984 17.960 -11.045 1.00 30.45 S ATOM 0 H CYS A 107 8.203 18.315 -14.945 1.00 61.53 H new ATOM 0 HA CYS A 107 10.720 18.345 -13.744 1.00 63.31 H new ATOM 0 HB2 CYS A 107 8.805 18.666 -11.783 1.00 12.10 H new ATOM 0 HB3 CYS A 107 8.961 16.921 -11.830 1.00 12.10 H new ATOM 196 N CYS A 108 9.779 16.432 -15.485 1.00 55.12 N ATOM 197 CA CYS A 108 9.760 15.149 -16.177 1.00 72.32 C ATOM 198 C CYS A 108 11.174 14.599 -16.341 1.00 0.24 C ATOM 199 O CYS A 108 11.407 13.680 -17.126 1.00 23.45 O ATOM 200 CB CYS A 108 9.095 15.294 -17.547 1.00 41.21 C ATOM 201 SG CYS A 108 9.900 16.511 -18.639 1.00 13.34 S ATOM 0 H CYS A 108 9.854 17.242 -16.101 1.00 55.12 H new ATOM 0 HA CYS A 108 9.184 14.448 -15.574 1.00 72.32 H new ATOM 0 HB2 CYS A 108 9.092 14.323 -18.042 1.00 41.21 H new ATOM 0 HB3 CYS A 108 8.053 15.582 -17.405 1.00 41.21 H new ATOM 206 N ASP A 109 12.114 15.169 -15.595 1.00 21.43 N ATOM 207 CA ASP A 109 13.506 14.736 -15.656 1.00 60.13 C ATOM 208 C ASP A 109 13.632 13.259 -15.292 1.00 41.52 C ATOM 209 O ASP A 109 13.398 12.854 -14.154 1.00 71.12 O ATOM 210 CB ASP A 109 14.367 15.582 -14.716 1.00 71.51 C ATOM 211 CG ASP A 109 15.834 15.556 -15.096 1.00 50.23 C ATOM 212 OD1 ASP A 109 16.165 14.971 -16.149 1.00 65.35 O ATOM 213 OD2 ASP A 109 16.652 16.122 -14.341 1.00 54.50 O ATOM 0 H ASP A 109 11.938 15.932 -14.941 1.00 21.43 H new ATOM 0 HA ASP A 109 13.859 14.871 -16.678 1.00 60.13 H new ATOM 0 HB2 ASP A 109 14.009 16.612 -14.728 1.00 71.51 H new ATOM 0 HB3 ASP A 109 14.252 15.217 -13.695 1.00 71.51 H new ATOM 218 N PRO A 110 14.009 12.436 -16.281 1.00 40.35 N ATOM 219 CA PRO A 110 14.174 10.993 -16.090 1.00 23.32 C ATOM 220 C PRO A 110 15.380 10.657 -15.219 1.00 2.41 C ATOM 221 O PRO A 110 16.467 11.205 -15.408 1.00 63.32 O ATOM 222 CB PRO A 110 14.381 10.467 -17.513 1.00 51.41 C ATOM 223 CG PRO A 110 14.932 11.626 -18.269 1.00 14.41 C ATOM 224 CD PRO A 110 14.304 12.852 -17.663 1.00 42.01 C ATOM 0 HA PRO A 110 13.320 10.551 -15.577 1.00 23.32 H new ATOM 0 HB2 PRO A 110 15.070 9.622 -17.526 1.00 51.41 H new ATOM 0 HB3 PRO A 110 13.443 10.121 -17.947 1.00 51.41 H new ATOM 0 HG2 PRO A 110 16.018 11.664 -18.188 1.00 14.41 H new ATOM 0 HG3 PRO A 110 14.693 11.549 -19.330 1.00 14.41 H new ATOM 0 HD2 PRO A 110 14.981 13.706 -17.690 1.00 42.01 H new ATOM 0 HD3 PRO A 110 13.400 13.146 -18.196 1.00 42.01 H new ATOM 232 N CYS A 111 15.182 9.754 -14.264 1.00 0.51 N ATOM 233 CA CYS A 111 16.253 9.346 -13.363 1.00 2.04 C ATOM 234 C CYS A 111 16.662 10.496 -12.448 1.00 0.31 C ATOM 235 O CYS A 111 17.688 10.430 -11.771 1.00 14.01 O ATOM 236 CB CYS A 111 17.463 8.861 -14.162 1.00 45.04 C ATOM 237 SG CYS A 111 18.630 7.843 -13.202 1.00 54.43 S ATOM 0 H CYS A 111 14.289 9.291 -14.094 1.00 0.51 H new ATOM 0 HA CYS A 111 15.882 8.528 -12.746 1.00 2.04 H new ATOM 0 HB2 CYS A 111 17.112 8.283 -15.017 1.00 45.04 H new ATOM 0 HB3 CYS A 111 17.994 9.727 -14.558 1.00 45.04 H new ATOM 242 N ALA A 112 15.853 11.551 -12.433 1.00 50.45 N ATOM 243 CA ALA A 112 16.129 12.715 -11.601 1.00 31.24 C ATOM 244 C ALA A 112 15.128 12.821 -10.456 1.00 34.51 C ATOM 245 O ALA A 112 13.989 12.367 -10.571 1.00 10.01 O ATOM 246 CB ALA A 112 16.109 13.982 -12.442 1.00 10.21 C ATOM 0 H ALA A 112 15.001 11.623 -12.988 1.00 50.45 H new ATOM 0 HA ALA A 112 17.123 12.595 -11.170 1.00 31.24 H new ATOM 0 HB1 ALA A 112 16.317 14.843 -11.807 1.00 10.21 H new ATOM 0 HB2 ALA A 112 16.868 13.914 -13.221 1.00 10.21 H new ATOM 0 HB3 ALA A 112 15.127 14.098 -12.901 1.00 10.21 H new ATOM 252 N SER A 113 15.558 13.423 -9.352 1.00 21.44 N ATOM 253 CA SER A 113 14.700 13.584 -8.184 1.00 52.13 C ATOM 254 C SER A 113 14.708 15.031 -7.700 1.00 55.23 C ATOM 255 O SER A 113 15.624 15.795 -8.006 1.00 61.32 O ATOM 256 CB SER A 113 15.155 12.654 -7.058 1.00 1.23 C ATOM 257 OG SER A 113 14.063 12.269 -6.241 1.00 60.34 O ATOM 0 H SER A 113 16.496 13.808 -9.242 1.00 21.44 H new ATOM 0 HA SER A 113 13.682 13.321 -8.472 1.00 52.13 H new ATOM 0 HB2 SER A 113 15.626 11.767 -7.483 1.00 1.23 H new ATOM 0 HB3 SER A 113 15.909 13.155 -6.451 1.00 1.23 H new ATOM 0 HG SER A 113 14.380 11.674 -5.530 1.00 60.34 H new ATOM 263 N CYS A 114 13.681 15.400 -6.943 1.00 1.22 N ATOM 264 CA CYS A 114 13.566 16.754 -6.416 1.00 3.34 C ATOM 265 C CYS A 114 14.666 17.035 -5.395 1.00 34.35 C ATOM 266 O CYS A 114 14.564 16.639 -4.232 1.00 41.45 O ATOM 267 CB CYS A 114 12.193 16.960 -5.772 1.00 65.43 C ATOM 268 SG CYS A 114 11.726 18.708 -5.561 1.00 12.21 S ATOM 0 H CYS A 114 12.915 14.779 -6.680 1.00 1.22 H new ATOM 0 HA CYS A 114 13.678 17.451 -7.247 1.00 3.34 H new ATOM 0 HB2 CYS A 114 11.439 16.465 -6.383 1.00 65.43 H new ATOM 0 HB3 CYS A 114 12.184 16.472 -4.797 1.00 65.43 H new ATOM 273 N TYR A 115 15.715 17.719 -5.836 1.00 31.11 N ATOM 274 CA TYR A 115 16.834 18.050 -4.962 1.00 3.31 C ATOM 275 C TYR A 115 16.832 19.536 -4.615 1.00 45.22 C ATOM 276 O TYR A 115 16.473 20.378 -5.439 1.00 31.33 O ATOM 277 CB TYR A 115 18.158 17.672 -5.628 1.00 51.41 C ATOM 278 CG TYR A 115 19.363 18.341 -5.005 1.00 34.04 C ATOM 279 CD1 TYR A 115 20.021 17.764 -3.926 1.00 12.55 C ATOM 280 CD2 TYR A 115 19.842 19.550 -5.495 1.00 62.10 C ATOM 281 CE1 TYR A 115 21.121 18.373 -3.352 1.00 44.15 C ATOM 282 CE2 TYR A 115 20.942 20.164 -4.930 1.00 65.21 C ATOM 283 CZ TYR A 115 21.578 19.572 -3.858 1.00 53.04 C ATOM 284 OH TYR A 115 22.675 20.180 -3.291 1.00 51.44 O ATOM 0 H TYR A 115 15.814 18.055 -6.794 1.00 31.11 H new ATOM 0 HA TYR A 115 16.723 17.479 -4.040 1.00 3.31 H new ATOM 0 HB2 TYR A 115 18.286 16.591 -5.575 1.00 51.41 H new ATOM 0 HB3 TYR A 115 18.112 17.936 -6.684 1.00 51.41 H new ATOM 0 HD1 TYR A 115 19.667 16.824 -3.529 1.00 12.55 H new ATOM 0 HD2 TYR A 115 19.345 20.017 -6.332 1.00 62.10 H new ATOM 0 HE1 TYR A 115 21.620 17.913 -2.512 1.00 44.15 H new ATOM 0 HE2 TYR A 115 21.303 21.102 -5.325 1.00 65.21 H new ATOM 0 HH TYR A 115 22.867 21.016 -3.765 1.00 51.44 H new ATOM 294 N CYS A 116 17.238 19.852 -3.390 1.00 30.50 N ATOM 295 CA CYS A 116 17.285 21.234 -2.930 1.00 53.23 C ATOM 296 C CYS A 116 18.700 21.621 -2.511 1.00 31.43 C ATOM 297 O CYS A 116 19.524 20.759 -2.204 1.00 3.15 O ATOM 298 CB CYS A 116 16.320 21.438 -1.761 1.00 63.13 C ATOM 299 SG CYS A 116 14.608 20.922 -2.109 1.00 61.44 S ATOM 0 H CYS A 116 17.540 19.167 -2.697 1.00 30.50 H new ATOM 0 HA CYS A 116 16.983 21.876 -3.757 1.00 53.23 H new ATOM 0 HB2 CYS A 116 16.688 20.881 -0.899 1.00 63.13 H new ATOM 0 HB3 CYS A 116 16.321 22.492 -1.483 1.00 63.13 H new ATOM 304 N ARG A 117 18.974 22.921 -2.499 1.00 44.34 N ATOM 305 CA ARG A 117 20.289 23.422 -2.119 1.00 22.33 C ATOM 306 C ARG A 117 20.213 24.216 -0.818 1.00 32.24 C ATOM 307 O ARG A 117 19.175 24.245 -0.156 1.00 32.01 O ATOM 308 CB ARG A 117 20.867 24.298 -3.231 1.00 2.54 C ATOM 309 CG ARG A 117 19.810 25.041 -4.032 1.00 35.43 C ATOM 310 CD ARG A 117 19.084 26.070 -3.179 1.00 25.33 C ATOM 311 NE ARG A 117 18.695 27.246 -3.951 1.00 70.21 N ATOM 312 CZ ARG A 117 19.564 28.120 -4.445 1.00 43.24 C ATOM 313 NH1 ARG A 117 20.864 27.952 -4.249 1.00 11.11 N ATOM 314 NH2 ARG A 117 19.133 29.166 -5.139 1.00 53.24 N ATOM 0 H ARG A 117 18.302 23.647 -2.748 1.00 44.34 H new ATOM 0 HA ARG A 117 20.945 22.565 -1.964 1.00 22.33 H new ATOM 0 HB2 ARG A 117 21.554 25.022 -2.792 1.00 2.54 H new ATOM 0 HB3 ARG A 117 21.451 23.674 -3.907 1.00 2.54 H new ATOM 0 HG2 ARG A 117 20.278 25.537 -4.882 1.00 35.43 H new ATOM 0 HG3 ARG A 117 19.090 24.329 -4.435 1.00 35.43 H new ATOM 0 HD2 ARG A 117 18.196 25.615 -2.740 1.00 25.33 H new ATOM 0 HD3 ARG A 117 19.727 26.375 -2.354 1.00 25.33 H new ATOM 0 HE ARG A 117 17.702 27.405 -4.120 1.00 70.21 H new ATOM 0 HH11 ARG A 117 21.200 27.149 -3.717 1.00 11.11 H new ATOM 0 HH12 ARG A 117 21.528 28.626 -4.630 1.00 11.11 H new ATOM 0 HH21 ARG A 117 18.134 29.299 -5.293 1.00 53.24 H new ATOM 0 HH22 ARG A 117 19.801 29.837 -5.518 1.00 53.24 H new ATOM 328 N PHE A 118 21.318 24.860 -0.458 1.00 13.04 N ATOM 329 CA PHE A 118 21.376 25.653 0.765 1.00 64.11 C ATOM 330 C PHE A 118 20.102 26.472 0.943 1.00 60.11 C ATOM 331 O PHE A 118 19.414 26.358 1.957 1.00 11.13 O ATOM 332 CB PHE A 118 22.593 26.581 0.737 1.00 55.22 C ATOM 333 CG PHE A 118 23.904 25.855 0.827 1.00 64.22 C ATOM 334 CD1 PHE A 118 24.339 25.332 2.034 1.00 24.31 C ATOM 335 CD2 PHE A 118 24.701 25.693 -0.295 1.00 41.53 C ATOM 336 CE1 PHE A 118 25.546 24.663 2.120 1.00 24.22 C ATOM 337 CE2 PHE A 118 25.908 25.025 -0.215 1.00 62.13 C ATOM 338 CZ PHE A 118 26.331 24.508 0.993 1.00 15.15 C ATOM 0 H PHE A 118 22.185 24.849 -0.995 1.00 13.04 H new ATOM 0 HA PHE A 118 21.467 24.969 1.609 1.00 64.11 H new ATOM 0 HB2 PHE A 118 22.573 27.165 -0.183 1.00 55.22 H new ATOM 0 HB3 PHE A 118 22.520 27.287 1.564 1.00 55.22 H new ATOM 0 HD1 PHE A 118 23.729 25.448 2.917 1.00 24.31 H new ATOM 0 HD2 PHE A 118 24.375 26.094 -1.243 1.00 41.53 H new ATOM 0 HE1 PHE A 118 25.875 24.262 3.067 1.00 24.22 H new ATOM 0 HE2 PHE A 118 26.520 24.907 -1.097 1.00 62.13 H new ATOM 0 HZ PHE A 118 27.273 23.984 1.057 1.00 15.15 H new ATOM 348 N PHE A 119 19.792 27.299 -0.051 1.00 24.43 N ATOM 349 CA PHE A 119 18.601 28.139 -0.004 1.00 62.41 C ATOM 350 C PHE A 119 17.376 27.322 0.393 1.00 13.40 C ATOM 351 O PHE A 119 16.570 27.754 1.218 1.00 13.42 O ATOM 352 CB PHE A 119 18.367 28.804 -1.362 1.00 62.31 C ATOM 353 CG PHE A 119 17.768 30.177 -1.262 1.00 13.30 C ATOM 354 CD1 PHE A 119 18.386 31.164 -0.511 1.00 1.13 C ATOM 355 CD2 PHE A 119 16.587 30.482 -1.918 1.00 33.34 C ATOM 356 CE1 PHE A 119 17.837 32.429 -0.416 1.00 74.42 C ATOM 357 CE2 PHE A 119 16.033 31.745 -1.827 1.00 54.53 C ATOM 358 CZ PHE A 119 16.659 32.720 -1.076 1.00 52.12 C ATOM 0 H PHE A 119 20.349 27.405 -0.899 1.00 24.43 H new ATOM 0 HA PHE A 119 18.760 28.912 0.748 1.00 62.41 H new ATOM 0 HB2 PHE A 119 19.316 28.868 -1.894 1.00 62.31 H new ATOM 0 HB3 PHE A 119 17.709 28.172 -1.958 1.00 62.31 H new ATOM 0 HD1 PHE A 119 19.308 30.942 0.006 1.00 1.13 H new ATOM 0 HD2 PHE A 119 16.093 29.724 -2.508 1.00 33.34 H new ATOM 0 HE1 PHE A 119 18.328 33.189 0.173 1.00 74.42 H new ATOM 0 HE2 PHE A 119 15.111 31.969 -2.343 1.00 54.53 H new ATOM 0 HZ PHE A 119 16.229 33.708 -1.005 1.00 52.12 H new ATOM 368 N ARG A 120 17.242 26.141 -0.200 1.00 14.01 N ATOM 369 CA ARG A 120 16.113 25.263 0.091 1.00 1.51 C ATOM 370 C ARG A 120 14.798 25.910 -0.336 1.00 64.53 C ATOM 371 O ARG A 120 13.722 25.481 0.077 1.00 12.53 O ATOM 372 CB ARG A 120 16.069 24.931 1.583 1.00 2.02 C ATOM 373 CG ARG A 120 16.564 23.531 1.911 1.00 55.55 C ATOM 374 CD ARG A 120 15.557 22.473 1.490 1.00 21.30 C ATOM 375 NE ARG A 120 14.555 22.228 2.525 1.00 52.42 N ATOM 376 CZ ARG A 120 14.826 21.647 3.688 1.00 64.32 C ATOM 377 NH1 ARG A 120 16.061 21.252 3.963 1.00 60.30 N ATOM 378 NH2 ARG A 120 13.861 21.460 4.579 1.00 73.15 N ATOM 0 H ARG A 120 17.900 25.769 -0.885 1.00 14.01 H new ATOM 0 HA ARG A 120 16.246 24.341 -0.475 1.00 1.51 H new ATOM 0 HB2 ARG A 120 16.674 25.657 2.126 1.00 2.02 H new ATOM 0 HB3 ARG A 120 15.045 25.038 1.940 1.00 2.02 H new ATOM 0 HG2 ARG A 120 17.514 23.352 1.407 1.00 55.55 H new ATOM 0 HG3 ARG A 120 16.751 23.451 2.982 1.00 55.55 H new ATOM 0 HD2 ARG A 120 15.061 22.790 0.573 1.00 21.30 H new ATOM 0 HD3 ARG A 120 16.080 21.544 1.265 1.00 21.30 H new ATOM 0 HE ARG A 120 13.594 22.519 2.344 1.00 52.42 H new ATOM 0 HH11 ARG A 120 16.806 21.394 3.281 1.00 60.30 H new ATOM 0 HH12 ARG A 120 16.267 20.806 4.857 1.00 60.30 H new ATOM 0 HH21 ARG A 120 12.909 21.763 4.371 1.00 73.15 H new ATOM 0 HH22 ARG A 120 14.071 21.014 5.472 1.00 73.15 H new ATOM 392 N SER A 121 14.896 26.944 -1.166 1.00 52.52 N ATOM 393 CA SER A 121 13.714 27.653 -1.646 1.00 64.50 C ATOM 394 C SER A 121 13.596 27.545 -3.163 1.00 61.12 C ATOM 395 O SER A 121 12.540 27.813 -3.734 1.00 74.43 O ATOM 396 CB SER A 121 13.772 29.123 -1.231 1.00 13.15 C ATOM 397 OG SER A 121 12.567 29.523 -0.601 1.00 5.31 O ATOM 0 H SER A 121 15.780 27.309 -1.520 1.00 52.52 H new ATOM 0 HA SER A 121 12.835 27.191 -1.196 1.00 64.50 H new ATOM 0 HB2 SER A 121 14.610 29.280 -0.552 1.00 13.15 H new ATOM 0 HB3 SER A 121 13.951 29.745 -2.108 1.00 13.15 H new ATOM 0 HG SER A 121 12.630 30.466 -0.344 1.00 5.31 H new ATOM 403 N ALA A 122 14.688 27.151 -3.809 1.00 64.32 N ATOM 404 CA ALA A 122 14.708 27.006 -5.260 1.00 12.25 C ATOM 405 C ALA A 122 15.178 25.614 -5.666 1.00 4.11 C ATOM 406 O ALA A 122 16.243 25.458 -6.266 1.00 2.03 O ATOM 407 CB ALA A 122 15.598 28.070 -5.885 1.00 34.12 C ATOM 0 H ALA A 122 15.571 26.926 -3.351 1.00 64.32 H new ATOM 0 HA ALA A 122 13.690 27.138 -5.628 1.00 12.25 H new ATOM 0 HB1 ALA A 122 15.603 27.949 -6.968 1.00 34.12 H new ATOM 0 HB2 ALA A 122 15.216 29.059 -5.632 1.00 34.12 H new ATOM 0 HB3 ALA A 122 16.614 27.965 -5.503 1.00 34.12 H new ATOM 413 N CYS A 123 14.380 24.604 -5.336 1.00 21.14 N ATOM 414 CA CYS A 123 14.716 23.224 -5.665 1.00 2.32 C ATOM 415 C CYS A 123 14.430 22.931 -7.135 1.00 14.14 C ATOM 416 O CYS A 123 13.730 23.690 -7.805 1.00 54.23 O ATOM 417 CB CYS A 123 13.926 22.260 -4.778 1.00 21.41 C ATOM 418 SG CYS A 123 13.927 22.705 -3.011 1.00 43.24 S ATOM 0 H CYS A 123 13.495 24.716 -4.841 1.00 21.14 H new ATOM 0 HA CYS A 123 15.782 23.082 -5.485 1.00 2.32 H new ATOM 0 HB2 CYS A 123 12.896 22.220 -5.131 1.00 21.41 H new ATOM 0 HB3 CYS A 123 14.340 21.258 -4.890 1.00 21.41 H new ATOM 423 N TYR A 124 14.974 21.824 -7.628 1.00 24.01 N ATOM 424 CA TYR A 124 14.779 21.431 -9.019 1.00 31.34 C ATOM 425 C TYR A 124 15.059 19.943 -9.208 1.00 24.21 C ATOM 426 O TYR A 124 15.650 19.296 -8.344 1.00 24.51 O ATOM 427 CB TYR A 124 15.687 22.253 -9.935 1.00 54.31 C ATOM 428 CG TYR A 124 17.013 22.615 -9.308 1.00 23.43 C ATOM 429 CD1 TYR A 124 17.871 21.629 -8.835 1.00 3.41 C ATOM 430 CD2 TYR A 124 17.409 23.941 -9.187 1.00 64.35 C ATOM 431 CE1 TYR A 124 19.085 21.955 -8.261 1.00 33.24 C ATOM 432 CE2 TYR A 124 18.622 24.275 -8.616 1.00 42.40 C ATOM 433 CZ TYR A 124 19.456 23.279 -8.153 1.00 42.31 C ATOM 434 OH TYR A 124 20.664 23.609 -7.582 1.00 73.50 O ATOM 0 H TYR A 124 15.553 21.183 -7.086 1.00 24.01 H new ATOM 0 HA TYR A 124 13.739 21.623 -9.283 1.00 31.34 H new ATOM 0 HB2 TYR A 124 15.869 21.691 -10.851 1.00 54.31 H new ATOM 0 HB3 TYR A 124 15.168 23.168 -10.221 1.00 54.31 H new ATOM 0 HD1 TYR A 124 17.584 20.591 -8.917 1.00 3.41 H new ATOM 0 HD2 TYR A 124 16.758 24.724 -9.545 1.00 64.35 H new ATOM 0 HE1 TYR A 124 19.740 21.177 -7.899 1.00 33.24 H new ATOM 0 HE2 TYR A 124 18.916 25.311 -8.533 1.00 42.40 H new ATOM 0 HH TYR A 124 20.772 24.583 -7.584 1.00 73.50 H new ATOM 444 N CYS A 125 14.632 19.408 -10.347 1.00 50.11 N ATOM 445 CA CYS A 125 14.836 17.997 -10.653 1.00 54.02 C ATOM 446 C CYS A 125 16.303 17.714 -10.963 1.00 25.12 C ATOM 447 O CYS A 125 16.749 17.870 -12.100 1.00 23.23 O ATOM 448 CB CYS A 125 13.963 17.579 -11.838 1.00 5.30 C ATOM 449 SG CYS A 125 12.436 16.705 -11.367 1.00 3.23 S ATOM 0 H CYS A 125 14.142 19.930 -11.073 1.00 50.11 H new ATOM 0 HA CYS A 125 14.550 17.416 -9.776 1.00 54.02 H new ATOM 0 HB2 CYS A 125 13.698 18.467 -12.411 1.00 5.30 H new ATOM 0 HB3 CYS A 125 14.547 16.937 -12.497 1.00 5.30 H new ATOM 454 N ARG A 126 17.048 17.299 -9.943 1.00 70.43 N ATOM 455 CA ARG A 126 18.465 16.995 -10.106 1.00 20.22 C ATOM 456 C ARG A 126 18.714 15.493 -10.001 1.00 72.32 C ATOM 457 O ARG A 126 18.205 14.830 -9.098 1.00 3.30 O ATOM 458 CB ARG A 126 19.291 17.735 -9.053 1.00 1.02 C ATOM 459 CG ARG A 126 20.762 17.863 -9.413 1.00 13.03 C ATOM 460 CD ARG A 126 21.190 19.320 -9.499 1.00 52.10 C ATOM 461 NE ARG A 126 22.149 19.546 -10.576 1.00 63.43 N ATOM 462 CZ ARG A 126 22.958 20.597 -10.631 1.00 43.21 C ATOM 463 NH1 ARG A 126 22.923 21.515 -9.676 1.00 2.21 N ATOM 464 NH2 ARG A 126 23.805 20.733 -11.645 1.00 2.34 N ATOM 0 H ARG A 126 16.694 17.166 -8.996 1.00 70.43 H new ATOM 0 HA ARG A 126 18.771 17.328 -11.098 1.00 20.22 H new ATOM 0 HB2 ARG A 126 18.873 18.731 -8.909 1.00 1.02 H new ATOM 0 HB3 ARG A 126 19.203 17.212 -8.101 1.00 1.02 H new ATOM 0 HG2 ARG A 126 21.367 17.349 -8.666 1.00 13.03 H new ATOM 0 HG3 ARG A 126 20.948 17.371 -10.368 1.00 13.03 H new ATOM 0 HD2 ARG A 126 20.312 19.947 -9.658 1.00 52.10 H new ATOM 0 HD3 ARG A 126 21.632 19.625 -8.550 1.00 52.10 H new ATOM 0 HE ARG A 126 22.200 18.858 -11.328 1.00 63.43 H new ATOM 0 HH11 ARG A 126 22.273 21.415 -8.896 1.00 2.21 H new ATOM 0 HH12 ARG A 126 23.546 22.322 -9.721 1.00 2.21 H new ATOM 0 HH21 ARG A 126 23.834 20.029 -12.383 1.00 2.34 H new ATOM 0 HH22 ARG A 126 24.426 21.541 -11.686 1.00 2.34 H new ATOM 478 N VAL A 127 19.501 14.963 -10.933 1.00 74.40 N ATOM 479 CA VAL A 127 19.818 13.540 -10.946 1.00 4.24 C ATOM 480 C VAL A 127 20.927 13.215 -9.951 1.00 3.52 C ATOM 481 O VAL A 127 22.108 13.426 -10.230 1.00 63.32 O ATOM 482 CB VAL A 127 20.251 13.074 -12.348 1.00 75.15 C ATOM 483 CG1 VAL A 127 19.052 13.016 -13.283 1.00 71.34 C ATOM 484 CG2 VAL A 127 21.329 13.990 -12.906 1.00 53.22 C ATOM 0 H VAL A 127 19.930 15.498 -11.688 1.00 74.40 H new ATOM 0 HA VAL A 127 18.909 13.011 -10.660 1.00 4.24 H new ATOM 0 HB VAL A 127 20.668 12.070 -12.266 1.00 75.15 H new ATOM 0 HG11 VAL A 127 19.376 12.685 -14.270 1.00 71.34 H new ATOM 0 HG12 VAL A 127 18.316 12.315 -12.888 1.00 71.34 H new ATOM 0 HG13 VAL A 127 18.604 14.006 -13.362 1.00 71.34 H new ATOM 0 HG21 VAL A 127 21.622 13.645 -13.897 1.00 53.22 H new ATOM 0 HG22 VAL A 127 20.942 15.007 -12.975 1.00 53.22 H new ATOM 0 HG23 VAL A 127 22.196 13.976 -12.246 1.00 53.22 H new ATOM 494 N LEU A 128 20.541 12.703 -8.788 1.00 13.31 N ATOM 495 CA LEU A 128 21.502 12.348 -7.750 1.00 52.12 C ATOM 496 C LEU A 128 21.901 10.880 -7.855 1.00 73.32 C ATOM 497 O LEU A 128 22.356 10.279 -6.883 1.00 31.43 O ATOM 498 CB LEU A 128 20.915 12.631 -6.366 1.00 1.21 C ATOM 499 CG LEU A 128 20.272 14.005 -6.178 1.00 4.25 C ATOM 500 CD1 LEU A 128 18.882 13.867 -5.576 1.00 24.15 C ATOM 501 CD2 LEU A 128 21.148 14.889 -5.302 1.00 25.23 C ATOM 0 H LEU A 128 19.568 12.524 -8.540 1.00 13.31 H new ATOM 0 HA LEU A 128 22.394 12.958 -7.892 1.00 52.12 H new ATOM 0 HB2 LEU A 128 20.167 11.869 -6.148 1.00 1.21 H new ATOM 0 HB3 LEU A 128 21.708 12.519 -5.627 1.00 1.21 H new ATOM 0 HG LEU A 128 20.177 14.476 -7.156 1.00 4.25 H new ATOM 0 HD11 LEU A 128 18.440 14.856 -5.450 1.00 24.15 H new ATOM 0 HD12 LEU A 128 18.255 13.272 -6.240 1.00 24.15 H new ATOM 0 HD13 LEU A 128 18.953 13.375 -4.606 1.00 24.15 H new ATOM 0 HD21 LEU A 128 20.674 15.863 -5.179 1.00 25.23 H new ATOM 0 HD22 LEU A 128 21.275 14.422 -4.326 1.00 25.23 H new ATOM 0 HD23 LEU A 128 22.123 15.016 -5.773 1.00 25.23 H new ATOM 513 N SER A 129 21.729 10.309 -9.044 1.00 12.21 N ATOM 514 CA SER A 129 22.069 8.911 -9.277 1.00 20.55 C ATOM 515 C SER A 129 23.483 8.782 -9.836 1.00 33.43 C ATOM 516 O SER A 129 24.161 7.778 -9.614 1.00 5.14 O ATOM 517 CB SER A 129 21.067 8.273 -10.240 1.00 52.00 C ATOM 518 OG SER A 129 20.919 6.888 -9.981 1.00 3.23 O ATOM 0 H SER A 129 21.356 10.794 -9.860 1.00 12.21 H new ATOM 0 HA SER A 129 22.025 8.388 -8.321 1.00 20.55 H new ATOM 0 HB2 SER A 129 20.101 8.769 -10.145 1.00 52.00 H new ATOM 0 HB3 SER A 129 21.401 8.420 -11.267 1.00 52.00 H new ATOM 0 HG SER A 129 20.272 6.505 -10.609 1.00 3.23 H new ATOM 524 N LEU A 130 23.919 9.803 -10.562 1.00 45.44 N ATOM 525 CA LEU A 130 25.253 9.806 -11.155 1.00 10.23 C ATOM 526 C LEU A 130 25.452 8.591 -12.054 1.00 74.14 C ATOM 527 O LEU A 130 26.578 8.158 -12.290 1.00 21.32 O ATOM 528 CB LEU A 130 26.319 9.822 -10.058 1.00 44.42 C ATOM 529 CG LEU A 130 26.170 10.909 -8.992 1.00 75.22 C ATOM 530 CD1 LEU A 130 26.795 10.459 -7.681 1.00 51.23 C ATOM 531 CD2 LEU A 130 26.798 12.211 -9.465 1.00 50.12 C ATOM 0 H LEU A 130 23.370 10.640 -10.755 1.00 45.44 H new ATOM 0 HA LEU A 130 25.351 10.705 -11.763 1.00 10.23 H new ATOM 0 HB2 LEU A 130 26.315 8.852 -9.562 1.00 44.42 H new ATOM 0 HB3 LEU A 130 27.295 9.935 -10.530 1.00 44.42 H new ATOM 0 HG LEU A 130 25.107 11.083 -8.824 1.00 75.22 H new ATOM 0 HD11 LEU A 130 26.680 11.245 -6.934 1.00 51.23 H new ATOM 0 HD12 LEU A 130 26.299 9.553 -7.334 1.00 51.23 H new ATOM 0 HD13 LEU A 130 27.855 10.257 -7.834 1.00 51.23 H new ATOM 0 HD21 LEU A 130 26.682 12.972 -8.693 1.00 50.12 H new ATOM 0 HD22 LEU A 130 27.858 12.053 -9.662 1.00 50.12 H new ATOM 0 HD23 LEU A 130 26.304 12.542 -10.379 1.00 50.12 H new ATOM 543 N ASN A 131 24.348 8.047 -12.556 1.00 71.52 N ATOM 544 CA ASN A 131 24.400 6.881 -13.433 1.00 1.20 C ATOM 545 C ASN A 131 23.728 7.176 -14.770 1.00 62.25 C ATOM 546 O ASN A 131 24.152 6.678 -15.814 1.00 23.45 O ATOM 547 CB ASN A 131 23.726 5.682 -12.763 1.00 14.54 C ATOM 548 CG ASN A 131 24.601 5.046 -11.701 1.00 2.12 C ATOM 549 OD1 ASN A 131 25.828 5.092 -11.782 1.00 45.03 O ATOM 550 ND2 ASN A 131 23.972 4.446 -10.697 1.00 1.12 N ATOM 0 H ASN A 131 23.407 8.394 -12.371 1.00 71.52 H new ATOM 0 HA ASN A 131 25.447 6.643 -13.618 1.00 1.20 H new ATOM 0 HB2 ASN A 131 22.787 6.002 -12.312 1.00 14.54 H new ATOM 0 HB3 ASN A 131 23.479 4.938 -13.520 1.00 14.54 H new ATOM 0 HD21 ASN A 131 24.508 3.999 -9.953 1.00 1.12 H new ATOM 0 HD22 ASN A 131 22.952 4.432 -10.670 1.00 1.12 H new ATOM 557 N CYS A 132 22.676 7.987 -14.732 1.00 4.41 N ATOM 558 CA CYS A 132 21.945 8.350 -15.939 1.00 73.15 C ATOM 559 C CYS A 132 22.437 9.682 -16.495 1.00 43.11 C ATOM 560 O CYS A 132 21.656 10.471 -17.027 1.00 14.21 O ATOM 561 CB CYS A 132 20.445 8.430 -15.647 1.00 14.05 C ATOM 562 SG CYS A 132 19.786 6.991 -14.744 1.00 2.10 S ATOM 0 H CYS A 132 22.311 8.406 -13.877 1.00 4.41 H new ATOM 0 HA CYS A 132 22.123 7.577 -16.687 1.00 73.15 H new ATOM 0 HB2 CYS A 132 20.246 9.331 -15.068 1.00 14.05 H new ATOM 0 HB3 CYS A 132 19.907 8.532 -16.590 1.00 14.05 H new TER 567 CYS A 132