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 -35:sc= -0.0601! USER MOD Single : A 98 ASN : amide:sc= -0.0817 K(o=-0.082,f=-1.2) USER MOD Single : A 99 SER OG : rot 55:sc= 1.16 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 -50:sc= 0.171 USER MOD Single : A 129 SER OG : rot 180:sc= 0.0851 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.097 20.524 -20.203 1.00 65.22 N ATOM 2 CA CYS A 93 8.410 20.301 -18.797 1.00 20.24 C ATOM 3 C CYS A 93 9.857 20.679 -18.494 1.00 63.55 C ATOM 4 O CYS A 93 10.588 21.134 -19.374 1.00 72.00 O ATOM 5 CB CYS A 93 8.164 18.837 -18.424 1.00 10.44 C ATOM 6 SG CYS A 93 8.833 17.642 -19.625 1.00 42.41 S ATOM 0 HA CYS A 93 7.755 20.936 -18.200 1.00 20.24 H new ATOM 0 HB2 CYS A 93 8.608 18.642 -17.448 1.00 10.44 H new ATOM 0 HB3 CYS A 93 7.091 18.674 -18.324 1.00 10.44 H new ATOM 11 N VAL A 94 10.265 20.484 -17.245 1.00 13.15 N ATOM 12 CA VAL A 94 11.625 20.803 -16.826 1.00 22.21 C ATOM 13 C VAL A 94 12.594 19.692 -17.215 1.00 53.01 C ATOM 14 O VAL A 94 12.346 18.516 -16.950 1.00 3.32 O ATOM 15 CB VAL A 94 11.706 21.029 -15.304 1.00 73.54 C ATOM 16 CG1 VAL A 94 13.119 20.776 -14.801 1.00 14.20 C ATOM 17 CG2 VAL A 94 11.248 22.435 -14.950 1.00 43.41 C ATOM 0 H VAL A 94 9.673 20.107 -16.505 1.00 13.15 H new ATOM 0 HA VAL A 94 11.906 21.723 -17.338 1.00 22.21 H new ATOM 0 HB VAL A 94 11.040 20.320 -14.812 1.00 73.54 H new ATOM 0 HG11 VAL A 94 13.157 20.941 -13.724 1.00 14.20 H new ATOM 0 HG12 VAL A 94 13.405 19.747 -15.021 1.00 14.20 H new ATOM 0 HG13 VAL A 94 13.809 21.458 -15.297 1.00 14.20 H new ATOM 0 HG21 VAL A 94 11.312 22.578 -13.871 1.00 43.41 H new ATOM 0 HG22 VAL A 94 11.887 23.163 -15.450 1.00 43.41 H new ATOM 0 HG23 VAL A 94 10.217 22.574 -15.274 1.00 43.41 H new ATOM 27 N ALA A 95 13.700 20.074 -17.847 1.00 34.31 N ATOM 28 CA ALA A 95 14.708 19.110 -18.271 1.00 50.40 C ATOM 29 C ALA A 95 15.532 18.620 -17.085 1.00 72.44 C ATOM 30 O ALA A 95 15.468 17.447 -16.713 1.00 44.02 O ATOM 31 CB ALA A 95 15.614 19.726 -19.328 1.00 32.25 C ATOM 0 H ALA A 95 13.920 21.043 -18.076 1.00 34.31 H new ATOM 0 HA ALA A 95 14.195 18.250 -18.703 1.00 50.40 H new ATOM 0 HB1 ALA A 95 16.362 18.996 -19.636 1.00 32.25 H new ATOM 0 HB2 ALA A 95 15.018 20.021 -20.191 1.00 32.25 H new ATOM 0 HB3 ALA A 95 16.112 20.603 -18.914 1.00 32.25 H new ATOM 37 N THR A 96 16.307 19.524 -16.494 1.00 52.41 N ATOM 38 CA THR A 96 17.144 19.183 -15.351 1.00 44.24 C ATOM 39 C THR A 96 17.594 20.435 -14.607 1.00 34.34 C ATOM 40 O THR A 96 17.806 21.485 -15.211 1.00 11.41 O ATOM 41 CB THR A 96 18.388 18.384 -15.786 1.00 63.13 C ATOM 42 OG1 THR A 96 18.032 17.436 -16.798 1.00 23.24 O ATOM 43 CG2 THR A 96 19.007 17.660 -14.600 1.00 73.14 C ATOM 0 H THR A 96 16.372 20.498 -16.789 1.00 52.41 H new ATOM 0 HA THR A 96 16.538 18.567 -14.687 1.00 44.24 H new ATOM 0 HB THR A 96 19.121 19.084 -16.187 1.00 63.13 H new ATOM 0 HG1 THR A 96 17.128 17.098 -16.626 1.00 23.24 H new ATOM 0 HG21 THR A 96 19.883 17.103 -14.931 1.00 73.14 H new ATOM 0 HG22 THR A 96 19.303 18.387 -13.844 1.00 73.14 H new ATOM 0 HG23 THR A 96 18.278 16.970 -14.174 1.00 73.14 H new ATOM 51 N ARG A 97 17.737 20.314 -13.290 1.00 44.31 N ATOM 52 CA ARG A 97 18.161 21.437 -12.462 1.00 53.42 C ATOM 53 C ARG A 97 17.511 22.735 -12.932 1.00 53.20 C ATOM 54 O ARG A 97 18.148 23.786 -12.956 1.00 1.44 O ATOM 55 CB ARG A 97 19.684 21.576 -12.495 1.00 52.03 C ATOM 56 CG ARG A 97 20.224 22.050 -13.835 1.00 35.34 C ATOM 57 CD ARG A 97 20.637 20.880 -14.714 1.00 23.11 C ATOM 58 NE ARG A 97 20.433 21.162 -16.132 1.00 41.22 N ATOM 59 CZ ARG A 97 21.064 20.517 -17.108 1.00 14.40 C ATOM 60 NH1 ARG A 97 21.934 19.559 -16.820 1.00 74.12 N ATOM 61 NH2 ARG A 97 20.825 20.832 -18.375 1.00 33.01 N ATOM 0 H ARG A 97 17.566 19.451 -12.775 1.00 44.31 H new ATOM 0 HA ARG A 97 17.843 21.241 -11.438 1.00 53.42 H new ATOM 0 HB2 ARG A 97 19.993 22.277 -11.720 1.00 52.03 H new ATOM 0 HB3 ARG A 97 20.134 20.613 -12.252 1.00 52.03 H new ATOM 0 HG2 ARG A 97 19.464 22.640 -14.347 1.00 35.34 H new ATOM 0 HG3 ARG A 97 21.080 22.705 -13.673 1.00 35.34 H new ATOM 0 HD2 ARG A 97 21.687 20.648 -14.538 1.00 23.11 H new ATOM 0 HD3 ARG A 97 20.064 19.996 -14.434 1.00 23.11 H new ATOM 0 HE ARG A 97 19.770 21.894 -16.388 1.00 41.22 H new ATOM 0 HH11 ARG A 97 22.121 19.315 -15.847 1.00 74.12 H new ATOM 0 HH12 ARG A 97 22.417 19.066 -17.571 1.00 74.12 H new ATOM 0 HH21 ARG A 97 20.157 21.569 -18.600 1.00 33.01 H new ATOM 0 HH22 ARG A 97 21.309 20.337 -19.124 1.00 33.01 H new ATOM 75 N ASN A 98 16.238 22.652 -13.307 1.00 21.34 N ATOM 76 CA ASN A 98 15.502 23.820 -13.777 1.00 21.44 C ATOM 77 C ASN A 98 14.505 24.294 -12.724 1.00 10.40 C ATOM 78 O ASN A 98 14.413 25.487 -12.434 1.00 52.23 O ATOM 79 CB ASN A 98 14.769 23.495 -15.080 1.00 13.31 C ATOM 80 CG ASN A 98 14.797 24.650 -16.062 1.00 2.11 C ATOM 81 OD1 ASN A 98 15.060 25.793 -15.686 1.00 53.12 O ATOM 82 ND2 ASN A 98 14.525 24.357 -17.328 1.00 63.43 N ATOM 0 H ASN A 98 15.695 21.788 -13.294 1.00 21.34 H new ATOM 0 HA ASN A 98 16.218 24.621 -13.960 1.00 21.44 H new ATOM 0 HB2 ASN A 98 15.224 22.618 -15.541 1.00 13.31 H new ATOM 0 HB3 ASN A 98 13.734 23.236 -14.857 1.00 13.31 H new ATOM 0 HD21 ASN A 98 14.529 25.093 -18.034 1.00 63.43 H new ATOM 0 HD22 ASN A 98 14.312 23.396 -17.595 1.00 63.43 H new ATOM 89 N SER A 99 13.760 23.352 -12.155 1.00 25.23 N ATOM 90 CA SER A 99 12.768 23.674 -11.136 1.00 74.23 C ATOM 91 C SER A 99 12.082 22.409 -10.628 1.00 13.24 C ATOM 92 O SER A 99 11.885 21.451 -11.375 1.00 54.22 O ATOM 93 CB SER A 99 11.725 24.642 -11.698 1.00 55.05 C ATOM 94 OG SER A 99 12.039 25.982 -11.362 1.00 64.32 O ATOM 0 H SER A 99 13.824 22.360 -12.382 1.00 25.23 H new ATOM 0 HA SER A 99 13.282 24.149 -10.300 1.00 74.23 H new ATOM 0 HB2 SER A 99 11.675 24.538 -12.782 1.00 55.05 H new ATOM 0 HB3 SER A 99 10.740 24.387 -11.307 1.00 55.05 H new ATOM 0 HG SER A 99 12.951 26.188 -11.655 1.00 64.32 H new ATOM 100 N CYS A 100 11.719 22.413 -9.349 1.00 5.35 N ATOM 101 CA CYS A 100 11.057 21.269 -8.737 1.00 31.32 C ATOM 102 C CYS A 100 9.560 21.524 -8.583 1.00 42.30 C ATOM 103 O CYS A 100 8.994 22.386 -9.256 1.00 1.33 O ATOM 104 CB CYS A 100 11.676 20.963 -7.371 1.00 42.11 C ATOM 105 SG CYS A 100 11.983 19.193 -7.073 1.00 63.43 S ATOM 0 H CYS A 100 11.873 23.198 -8.716 1.00 5.35 H new ATOM 0 HA CYS A 100 11.196 20.409 -9.392 1.00 31.32 H new ATOM 0 HB2 CYS A 100 12.618 21.504 -7.282 1.00 42.11 H new ATOM 0 HB3 CYS A 100 11.015 21.342 -6.592 1.00 42.11 H new ATOM 110 N LYS A 101 8.925 20.771 -7.692 1.00 70.25 N ATOM 111 CA LYS A 101 7.495 20.915 -7.448 1.00 12.12 C ATOM 112 C LYS A 101 6.688 20.501 -8.674 1.00 71.11 C ATOM 113 O LYS A 101 6.212 21.336 -9.443 1.00 74.45 O ATOM 114 CB LYS A 101 7.165 22.361 -7.071 1.00 11.20 C ATOM 115 CG LYS A 101 6.832 22.547 -5.601 1.00 21.10 C ATOM 116 CD LYS A 101 8.083 22.529 -4.739 1.00 64.21 C ATOM 117 CE LYS A 101 8.952 23.751 -4.993 1.00 40.44 C ATOM 118 NZ LYS A 101 9.896 24.005 -3.869 1.00 73.32 N ATOM 0 H LYS A 101 9.379 20.054 -7.126 1.00 70.25 H new ATOM 0 HA LYS A 101 7.225 20.259 -6.620 1.00 12.12 H new ATOM 0 HB2 LYS A 101 8.013 22.996 -7.326 1.00 11.20 H new ATOM 0 HB3 LYS A 101 6.321 22.700 -7.672 1.00 11.20 H new ATOM 0 HG2 LYS A 101 6.307 23.492 -5.463 1.00 21.10 H new ATOM 0 HG3 LYS A 101 6.155 21.756 -5.278 1.00 21.10 H new ATOM 0 HD2 LYS A 101 7.801 22.494 -3.687 1.00 64.21 H new ATOM 0 HD3 LYS A 101 8.656 21.625 -4.945 1.00 64.21 H new ATOM 0 HE2 LYS A 101 9.515 23.610 -5.915 1.00 40.44 H new ATOM 0 HE3 LYS A 101 8.316 24.625 -5.138 1.00 40.44 H new ATOM 0 HZ1 LYS A 101 10.470 24.846 -4.081 1.00 73.32 H new ATOM 0 HZ2 LYS A 101 9.358 24.165 -2.993 1.00 73.32 H new ATOM 0 HZ3 LYS A 101 10.520 23.182 -3.747 1.00 73.32 H new ATOM 132 N PRO A 102 6.529 19.183 -8.861 1.00 73.02 N ATOM 133 CA PRO A 102 5.778 18.629 -9.992 1.00 3.12 C ATOM 134 C PRO A 102 4.281 18.893 -9.878 1.00 72.24 C ATOM 135 O PRO A 102 3.492 17.970 -9.673 1.00 14.31 O ATOM 136 CB PRO A 102 6.064 17.127 -9.907 1.00 3.34 C ATOM 137 CG PRO A 102 6.386 16.884 -8.472 1.00 61.24 C ATOM 138 CD PRO A 102 7.069 18.131 -7.983 1.00 41.34 C ATOM 0 HA PRO A 102 6.075 19.080 -10.939 1.00 3.12 H new ATOM 0 HB2 PRO A 102 5.201 16.541 -10.224 1.00 3.34 H new ATOM 0 HB3 PRO A 102 6.896 16.845 -10.553 1.00 3.34 H new ATOM 0 HG2 PRO A 102 5.481 16.684 -7.898 1.00 61.24 H new ATOM 0 HG3 PRO A 102 7.034 16.015 -8.359 1.00 61.24 H new ATOM 0 HD2 PRO A 102 6.844 18.328 -6.935 1.00 41.34 H new ATOM 0 HD3 PRO A 102 8.153 18.055 -8.067 1.00 41.34 H new ATOM 146 N ALA A 103 3.895 20.158 -10.013 1.00 25.50 N ATOM 147 CA ALA A 103 2.492 20.542 -9.928 1.00 71.30 C ATOM 148 C ALA A 103 1.970 21.017 -11.279 1.00 42.35 C ATOM 149 O ALA A 103 0.939 20.546 -11.758 1.00 52.21 O ATOM 150 CB ALA A 103 2.305 21.625 -8.876 1.00 14.14 C ATOM 0 H ALA A 103 4.535 20.934 -10.182 1.00 25.50 H new ATOM 0 HA ALA A 103 1.917 19.664 -9.635 1.00 71.30 H new ATOM 0 HB1 ALA A 103 1.252 21.903 -8.823 1.00 14.14 H new ATOM 0 HB2 ALA A 103 2.631 21.250 -7.906 1.00 14.14 H new ATOM 0 HB3 ALA A 103 2.898 22.499 -9.145 1.00 14.14 H new ATOM 156 N ALA A 104 2.689 21.955 -11.889 1.00 72.54 N ATOM 157 CA ALA A 104 2.298 22.493 -13.187 1.00 34.54 C ATOM 158 C ALA A 104 2.804 21.610 -14.322 1.00 33.53 C ATOM 159 O ALA A 104 2.625 21.931 -15.497 1.00 3.02 O ATOM 160 CB ALA A 104 2.819 23.913 -13.347 1.00 24.02 C ATOM 0 H ALA A 104 3.544 22.357 -11.505 1.00 72.54 H new ATOM 0 HA ALA A 104 1.209 22.510 -13.233 1.00 34.54 H new ATOM 0 HB1 ALA A 104 2.520 24.303 -14.320 1.00 24.02 H new ATOM 0 HB2 ALA A 104 2.404 24.544 -12.561 1.00 24.02 H new ATOM 0 HB3 ALA A 104 3.907 23.912 -13.275 1.00 24.02 H new ATOM 166 N ALA A 105 3.436 20.498 -13.964 1.00 63.31 N ATOM 167 CA ALA A 105 3.966 19.568 -14.953 1.00 22.30 C ATOM 168 C ALA A 105 5.303 20.055 -15.503 1.00 71.53 C ATOM 169 O ALA A 105 5.430 20.335 -16.695 1.00 20.24 O ATOM 170 CB ALA A 105 2.967 19.374 -16.085 1.00 5.35 C ATOM 0 H ALA A 105 3.594 20.219 -12.996 1.00 63.31 H new ATOM 0 HA ALA A 105 4.132 18.609 -14.461 1.00 22.30 H new ATOM 0 HB1 ALA A 105 3.376 18.677 -16.816 1.00 5.35 H new ATOM 0 HB2 ALA A 105 2.036 18.974 -15.684 1.00 5.35 H new ATOM 0 HB3 ALA A 105 2.772 20.332 -16.567 1.00 5.35 H new ATOM 176 N ALA A 106 6.297 20.153 -14.626 1.00 51.12 N ATOM 177 CA ALA A 106 7.625 20.605 -15.024 1.00 51.22 C ATOM 178 C ALA A 106 8.705 19.962 -14.161 1.00 73.14 C ATOM 179 O ALA A 106 9.141 20.537 -13.165 1.00 1.32 O ATOM 180 CB ALA A 106 7.713 22.122 -14.941 1.00 41.31 C ATOM 0 H ALA A 106 6.208 19.926 -13.636 1.00 51.12 H new ATOM 0 HA ALA A 106 7.792 20.299 -16.057 1.00 51.22 H new ATOM 0 HB1 ALA A 106 8.710 22.446 -15.241 1.00 41.31 H new ATOM 0 HB2 ALA A 106 6.972 22.566 -15.606 1.00 41.31 H new ATOM 0 HB3 ALA A 106 7.520 22.442 -13.917 1.00 41.31 H new ATOM 186 N CYS A 107 9.133 18.766 -14.551 1.00 51.35 N ATOM 187 CA CYS A 107 10.161 18.043 -13.812 1.00 41.24 C ATOM 188 C CYS A 107 10.460 16.699 -14.470 1.00 53.42 C ATOM 189 O CYS A 107 10.752 15.714 -13.791 1.00 14.22 O ATOM 190 CB CYS A 107 9.722 17.829 -12.363 1.00 25.03 C ATOM 191 SG CYS A 107 11.023 18.172 -11.134 1.00 62.04 S ATOM 0 H CYS A 107 8.784 18.277 -15.375 1.00 51.35 H new ATOM 0 HA CYS A 107 11.071 18.643 -13.823 1.00 41.24 H new ATOM 0 HB2 CYS A 107 8.864 18.469 -12.156 1.00 25.03 H new ATOM 0 HB3 CYS A 107 9.387 16.798 -12.244 1.00 25.03 H new ATOM 196 N CYS A 108 10.384 16.665 -15.796 1.00 51.11 N ATOM 197 CA CYS A 108 10.645 15.442 -16.547 1.00 12.34 C ATOM 198 C CYS A 108 12.009 14.863 -16.185 1.00 10.41 C ATOM 199 O CYS A 108 13.041 15.330 -16.670 1.00 3.01 O ATOM 200 CB CYS A 108 10.577 15.719 -18.050 1.00 63.54 C ATOM 201 SG CYS A 108 8.883 15.803 -18.715 1.00 60.00 S ATOM 0 H CYS A 108 10.144 17.471 -16.373 1.00 51.11 H new ATOM 0 HA CYS A 108 9.880 14.712 -16.284 1.00 12.34 H new ATOM 0 HB2 CYS A 108 11.085 16.661 -18.258 1.00 63.54 H new ATOM 0 HB3 CYS A 108 11.125 14.938 -18.578 1.00 63.54 H new ATOM 206 N ASP A 109 12.007 13.845 -15.332 1.00 14.21 N ATOM 207 CA ASP A 109 13.243 13.200 -14.907 1.00 42.51 C ATOM 208 C ASP A 109 12.957 12.073 -13.920 1.00 43.41 C ATOM 209 O ASP A 109 13.130 12.216 -12.709 1.00 71.32 O ATOM 210 CB ASP A 109 14.185 14.226 -14.270 1.00 71.43 C ATOM 211 CG ASP A 109 15.556 14.232 -14.918 1.00 13.54 C ATOM 212 OD1 ASP A 109 15.957 13.185 -15.468 1.00 3.33 O ATOM 213 OD2 ASP A 109 16.226 15.285 -14.876 1.00 33.23 O ATOM 0 H ASP A 109 11.162 13.448 -14.921 1.00 14.21 H new ATOM 0 HA ASP A 109 13.723 12.774 -15.788 1.00 42.51 H new ATOM 0 HB2 ASP A 109 13.744 15.219 -14.350 1.00 71.43 H new ATOM 0 HB3 ASP A 109 14.289 14.009 -13.207 1.00 71.43 H new ATOM 218 N PRO A 110 12.508 10.925 -14.447 1.00 63.54 N ATOM 219 CA PRO A 110 12.188 9.750 -13.631 1.00 2.43 C ATOM 220 C PRO A 110 13.432 9.104 -13.033 1.00 24.41 C ATOM 221 O PRO A 110 13.337 8.183 -12.220 1.00 61.24 O ATOM 222 CB PRO A 110 11.516 8.800 -14.625 1.00 34.12 C ATOM 223 CG PRO A 110 12.056 9.199 -15.954 1.00 74.35 C ATOM 224 CD PRO A 110 12.279 10.684 -15.882 1.00 41.34 C ATOM 0 HA PRO A 110 11.562 10.005 -12.776 1.00 2.43 H new ATOM 0 HB2 PRO A 110 11.750 7.760 -14.399 1.00 34.12 H new ATOM 0 HB3 PRO A 110 10.431 8.897 -14.593 1.00 34.12 H new ATOM 0 HG2 PRO A 110 12.987 8.675 -16.170 1.00 74.35 H new ATOM 0 HG3 PRO A 110 11.356 8.948 -16.751 1.00 74.35 H new ATOM 0 HD2 PRO A 110 13.135 10.991 -16.483 1.00 41.34 H new ATOM 0 HD3 PRO A 110 11.416 11.238 -16.250 1.00 41.34 H new ATOM 232 N CYS A 111 14.600 9.590 -13.438 1.00 40.14 N ATOM 233 CA CYS A 111 15.865 9.060 -12.943 1.00 34.32 C ATOM 234 C CYS A 111 16.578 10.085 -12.065 1.00 75.32 C ATOM 235 O CYS A 111 17.710 9.868 -11.637 1.00 4.35 O ATOM 236 CB CYS A 111 16.766 8.659 -14.111 1.00 42.15 C ATOM 237 SG CYS A 111 16.964 6.859 -14.314 1.00 42.51 S ATOM 0 H CYS A 111 14.697 10.352 -14.109 1.00 40.14 H new ATOM 0 HA CYS A 111 15.649 8.178 -12.340 1.00 34.32 H new ATOM 0 HB2 CYS A 111 16.356 9.075 -15.031 1.00 42.15 H new ATOM 0 HB3 CYS A 111 17.749 9.108 -13.968 1.00 42.15 H new ATOM 242 N ALA A 112 15.904 11.199 -11.801 1.00 3.15 N ATOM 243 CA ALA A 112 16.472 12.256 -10.971 1.00 72.14 C ATOM 244 C ALA A 112 15.726 12.374 -9.646 1.00 41.35 C ATOM 245 O ALA A 112 14.906 11.522 -9.307 1.00 74.12 O ATOM 246 CB ALA A 112 16.443 13.583 -11.716 1.00 2.23 C ATOM 0 H ALA A 112 14.965 11.394 -12.149 1.00 3.15 H new ATOM 0 HA ALA A 112 17.508 11.997 -10.752 1.00 72.14 H new ATOM 0 HB1 ALA A 112 16.870 14.363 -11.086 1.00 2.23 H new ATOM 0 HB2 ALA A 112 17.026 13.498 -12.633 1.00 2.23 H new ATOM 0 HB3 ALA A 112 15.413 13.839 -11.963 1.00 2.23 H new ATOM 252 N SER A 113 16.018 13.435 -8.901 1.00 24.32 N ATOM 253 CA SER A 113 15.379 13.662 -7.611 1.00 22.03 C ATOM 254 C SER A 113 15.329 15.151 -7.283 1.00 54.14 C ATOM 255 O SER A 113 16.107 15.943 -7.817 1.00 22.11 O ATOM 256 CB SER A 113 16.128 12.911 -6.508 1.00 3.23 C ATOM 257 OG SER A 113 15.232 12.417 -5.528 1.00 33.53 O ATOM 0 H SER A 113 16.693 14.151 -9.169 1.00 24.32 H new ATOM 0 HA SER A 113 14.358 13.286 -7.669 1.00 22.03 H new ATOM 0 HB2 SER A 113 16.688 12.083 -6.943 1.00 3.23 H new ATOM 0 HB3 SER A 113 16.854 13.576 -6.040 1.00 3.23 H new ATOM 0 HG SER A 113 15.735 11.940 -4.836 1.00 33.53 H new ATOM 263 N CYS A 114 14.407 15.527 -6.404 1.00 34.03 N ATOM 264 CA CYS A 114 14.253 16.921 -6.004 1.00 34.54 C ATOM 265 C CYS A 114 15.450 17.386 -5.181 1.00 31.14 C ATOM 266 O CYS A 114 15.594 17.020 -4.013 1.00 42.00 O ATOM 267 CB CYS A 114 12.964 17.102 -5.199 1.00 11.20 C ATOM 268 SG CYS A 114 12.346 18.815 -5.162 1.00 2.12 S ATOM 0 H CYS A 114 13.754 14.885 -5.954 1.00 34.03 H new ATOM 0 HA CYS A 114 14.198 17.529 -6.907 1.00 34.54 H new ATOM 0 HB2 CYS A 114 12.192 16.457 -5.619 1.00 11.20 H new ATOM 0 HB3 CYS A 114 13.137 16.767 -4.176 1.00 11.20 H new ATOM 273 N TYR A 115 16.305 18.194 -5.795 1.00 53.33 N ATOM 274 CA TYR A 115 17.491 18.710 -5.121 1.00 22.42 C ATOM 275 C TYR A 115 17.262 20.135 -4.627 1.00 62.13 C ATOM 276 O TYR A 115 16.667 20.957 -5.324 1.00 4.30 O ATOM 277 CB TYR A 115 18.696 18.671 -6.062 1.00 2.41 C ATOM 278 CG TYR A 115 19.973 19.179 -5.432 1.00 70.24 C ATOM 279 CD1 TYR A 115 20.206 20.542 -5.289 1.00 25.53 C ATOM 280 CD2 TYR A 115 20.946 18.296 -4.980 1.00 10.25 C ATOM 281 CE1 TYR A 115 21.372 21.010 -4.715 1.00 25.42 C ATOM 282 CE2 TYR A 115 22.114 18.756 -4.402 1.00 51.25 C ATOM 283 CZ TYR A 115 22.323 20.114 -4.272 1.00 62.44 C ATOM 284 OH TYR A 115 23.485 20.576 -3.698 1.00 73.42 O ATOM 0 H TYR A 115 16.200 18.507 -6.760 1.00 53.33 H new ATOM 0 HA TYR A 115 17.692 18.075 -4.258 1.00 22.42 H new ATOM 0 HB2 TYR A 115 18.850 17.646 -6.399 1.00 2.41 H new ATOM 0 HB3 TYR A 115 18.475 19.268 -6.947 1.00 2.41 H new ATOM 0 HD1 TYR A 115 19.463 21.247 -5.632 1.00 25.53 H new ATOM 0 HD2 TYR A 115 20.787 17.233 -5.082 1.00 10.25 H new ATOM 0 HE1 TYR A 115 21.538 22.072 -4.613 1.00 25.42 H new ATOM 0 HE2 TYR A 115 22.859 18.056 -4.054 1.00 51.25 H new ATOM 0 HH TYR A 115 24.047 19.816 -3.440 1.00 73.42 H new ATOM 294 N CYS A 116 17.739 20.419 -3.420 1.00 42.31 N ATOM 295 CA CYS A 116 17.587 21.745 -2.831 1.00 65.31 C ATOM 296 C CYS A 116 18.940 22.305 -2.398 1.00 60.12 C ATOM 297 O CYS A 116 19.890 21.555 -2.171 1.00 33.22 O ATOM 298 CB CYS A 116 16.639 21.687 -1.632 1.00 20.53 C ATOM 299 SG CYS A 116 14.976 21.060 -2.029 1.00 33.21 S ATOM 0 H CYS A 116 18.234 19.750 -2.831 1.00 42.31 H new ATOM 0 HA CYS A 116 17.165 22.406 -3.588 1.00 65.31 H new ATOM 0 HB2 CYS A 116 17.081 21.053 -0.863 1.00 20.53 H new ATOM 0 HB3 CYS A 116 16.547 22.686 -1.207 1.00 20.53 H new ATOM 304 N ARG A 117 19.017 23.627 -2.287 1.00 64.41 N ATOM 305 CA ARG A 117 20.253 24.287 -1.882 1.00 54.13 C ATOM 306 C ARG A 117 20.058 25.053 -0.577 1.00 74.10 C ATOM 307 O ARG A 117 19.019 24.933 0.076 1.00 65.02 O ATOM 308 CB ARG A 117 20.728 25.242 -2.979 1.00 33.43 C ATOM 309 CG ARG A 117 19.595 25.860 -3.781 1.00 10.30 C ATOM 310 CD ARG A 117 18.745 26.786 -2.924 1.00 42.02 C ATOM 311 NE ARG A 117 18.240 27.926 -3.684 1.00 61.54 N ATOM 312 CZ ARG A 117 19.001 28.938 -4.086 1.00 21.02 C ATOM 313 NH1 ARG A 117 20.296 28.951 -3.801 1.00 14.20 N ATOM 314 NH2 ARG A 117 18.467 29.939 -4.774 1.00 25.11 N ATOM 0 H ARG A 117 18.240 24.261 -2.471 1.00 64.41 H new ATOM 0 HA ARG A 117 21.010 23.519 -1.723 1.00 54.13 H new ATOM 0 HB2 ARG A 117 21.317 26.039 -2.525 1.00 33.43 H new ATOM 0 HB3 ARG A 117 21.390 24.703 -3.657 1.00 33.43 H new ATOM 0 HG2 ARG A 117 20.006 26.417 -4.623 1.00 10.30 H new ATOM 0 HG3 ARG A 117 18.969 25.070 -4.196 1.00 10.30 H new ATOM 0 HD2 ARG A 117 17.906 26.227 -2.509 1.00 42.02 H new ATOM 0 HD3 ARG A 117 19.337 27.145 -2.082 1.00 42.02 H new ATOM 0 HE ARG A 117 17.248 27.946 -3.919 1.00 61.54 H new ATOM 0 HH11 ARG A 117 20.710 28.183 -3.272 1.00 14.20 H new ATOM 0 HH12 ARG A 117 20.879 29.729 -4.111 1.00 14.20 H new ATOM 0 HH21 ARG A 117 17.471 29.932 -4.995 1.00 25.11 H new ATOM 0 HH22 ARG A 117 19.052 30.715 -5.082 1.00 25.11 H new ATOM 328 N PHE A 118 21.061 25.838 -0.201 1.00 4.43 N ATOM 329 CA PHE A 118 21.001 26.622 1.028 1.00 63.24 C ATOM 330 C PHE A 118 19.621 27.249 1.206 1.00 61.24 C ATOM 331 O PHE A 118 18.948 27.021 2.212 1.00 44.14 O ATOM 332 CB PHE A 118 22.072 27.714 1.014 1.00 70.35 C ATOM 333 CG PHE A 118 23.406 27.252 1.525 1.00 1.12 C ATOM 334 CD1 PHE A 118 24.008 26.118 1.003 1.00 24.14 C ATOM 335 CD2 PHE A 118 24.060 27.951 2.528 1.00 74.53 C ATOM 336 CE1 PHE A 118 25.236 25.689 1.472 1.00 41.12 C ATOM 337 CE2 PHE A 118 25.287 27.528 2.999 1.00 21.41 C ATOM 338 CZ PHE A 118 25.876 26.395 2.472 1.00 54.32 C ATOM 0 H PHE A 118 21.926 25.949 -0.730 1.00 4.43 H new ATOM 0 HA PHE A 118 21.187 25.951 1.867 1.00 63.24 H new ATOM 0 HB2 PHE A 118 22.190 28.083 -0.005 1.00 70.35 H new ATOM 0 HB3 PHE A 118 21.731 28.554 1.619 1.00 70.35 H new ATOM 0 HD1 PHE A 118 23.512 25.563 0.221 1.00 24.14 H new ATOM 0 HD2 PHE A 118 23.604 28.837 2.946 1.00 74.53 H new ATOM 0 HE1 PHE A 118 25.694 24.803 1.057 1.00 41.12 H new ATOM 0 HE2 PHE A 118 25.786 28.083 3.779 1.00 21.41 H new ATOM 0 HZ PHE A 118 26.835 26.062 2.841 1.00 54.32 H new ATOM 348 N PHE A 119 19.206 28.040 0.221 1.00 25.50 N ATOM 349 CA PHE A 119 17.907 28.701 0.269 1.00 63.01 C ATOM 350 C PHE A 119 16.807 27.713 0.644 1.00 32.04 C ATOM 351 O PHE A 119 15.939 28.016 1.464 1.00 45.34 O ATOM 352 CB PHE A 119 17.591 29.346 -1.082 1.00 73.35 C ATOM 353 CG PHE A 119 16.798 30.616 -0.968 1.00 51.13 C ATOM 354 CD1 PHE A 119 17.272 31.680 -0.220 1.00 4.41 C ATOM 355 CD2 PHE A 119 15.577 30.746 -1.611 1.00 55.11 C ATOM 356 CE1 PHE A 119 16.546 32.852 -0.113 1.00 73.23 C ATOM 357 CE2 PHE A 119 14.845 31.915 -1.509 1.00 11.13 C ATOM 358 CZ PHE A 119 15.330 32.968 -0.758 1.00 43.24 C ATOM 0 H PHE A 119 19.750 28.238 -0.619 1.00 25.50 H new ATOM 0 HA PHE A 119 17.949 29.477 1.034 1.00 63.01 H new ATOM 0 HB2 PHE A 119 18.525 29.556 -1.603 1.00 73.35 H new ATOM 0 HB3 PHE A 119 17.037 28.635 -1.695 1.00 73.35 H new ATOM 0 HD1 PHE A 119 18.222 31.594 0.287 1.00 4.41 H new ATOM 0 HD2 PHE A 119 15.193 29.925 -2.198 1.00 55.11 H new ATOM 0 HE1 PHE A 119 16.929 33.674 0.473 1.00 73.23 H new ATOM 0 HE2 PHE A 119 13.896 32.004 -2.016 1.00 11.13 H new ATOM 0 HZ PHE A 119 14.759 33.881 -0.675 1.00 43.24 H new ATOM 368 N ARG A 120 16.850 26.531 0.038 1.00 15.24 N ATOM 369 CA ARG A 120 15.856 25.499 0.308 1.00 70.43 C ATOM 370 C ARG A 120 14.471 25.944 -0.153 1.00 72.31 C ATOM 371 O ARG A 120 13.455 25.423 0.307 1.00 12.54 O ATOM 372 CB ARG A 120 15.825 25.167 1.801 1.00 24.32 C ATOM 373 CG ARG A 120 15.181 23.826 2.113 1.00 64.41 C ATOM 374 CD ARG A 120 16.202 22.699 2.088 1.00 71.45 C ATOM 375 NE ARG A 120 17.045 22.697 3.280 1.00 64.24 N ATOM 376 CZ ARG A 120 16.620 22.321 4.480 1.00 15.05 C ATOM 377 NH1 ARG A 120 15.367 21.919 4.648 1.00 62.12 N ATOM 378 NH2 ARG A 120 17.447 22.346 5.517 1.00 42.40 N ATOM 0 H ARG A 120 17.562 26.264 -0.642 1.00 15.24 H new ATOM 0 HA ARG A 120 16.137 24.606 -0.250 1.00 70.43 H new ATOM 0 HB2 ARG A 120 16.845 25.169 2.186 1.00 24.32 H new ATOM 0 HB3 ARG A 120 15.283 25.952 2.328 1.00 24.32 H new ATOM 0 HG2 ARG A 120 14.707 23.868 3.094 1.00 64.41 H new ATOM 0 HG3 ARG A 120 14.394 23.621 1.387 1.00 64.41 H new ATOM 0 HD2 ARG A 120 15.685 21.743 2.009 1.00 71.45 H new ATOM 0 HD3 ARG A 120 16.828 22.797 1.201 1.00 71.45 H new ATOM 0 HE ARG A 120 18.014 23.001 3.185 1.00 64.24 H new ATOM 0 HH11 ARG A 120 14.727 21.898 3.854 1.00 62.12 H new ATOM 0 HH12 ARG A 120 15.043 21.631 5.571 1.00 62.12 H new ATOM 0 HH21 ARG A 120 18.411 22.655 5.393 1.00 42.40 H new ATOM 0 HH22 ARG A 120 17.119 22.057 6.438 1.00 42.40 H new ATOM 392 N SER A 121 14.439 26.910 -1.065 1.00 54.20 N ATOM 393 CA SER A 121 13.179 27.429 -1.586 1.00 72.23 C ATOM 394 C SER A 121 13.108 27.264 -3.101 1.00 61.22 C ATOM 395 O SER A 121 12.030 27.083 -3.666 1.00 42.15 O ATOM 396 CB SER A 121 13.018 28.904 -1.215 1.00 11.33 C ATOM 397 OG SER A 121 11.720 29.164 -0.709 1.00 12.42 O ATOM 0 H SER A 121 15.271 27.349 -1.459 1.00 54.20 H new ATOM 0 HA SER A 121 12.366 26.858 -1.137 1.00 72.23 H new ATOM 0 HB2 SER A 121 13.764 29.178 -0.469 1.00 11.33 H new ATOM 0 HB3 SER A 121 13.201 29.525 -2.092 1.00 11.33 H new ATOM 0 HG SER A 121 11.643 30.113 -0.478 1.00 12.42 H new ATOM 403 N ALA A 122 14.265 27.327 -3.751 1.00 42.04 N ATOM 404 CA ALA A 122 14.336 27.183 -5.201 1.00 24.23 C ATOM 405 C ALA A 122 14.944 25.840 -5.589 1.00 64.12 C ATOM 406 O ALA A 122 16.025 25.783 -6.176 1.00 64.22 O ATOM 407 CB ALA A 122 15.140 28.324 -5.806 1.00 14.25 C ATOM 0 H ALA A 122 15.166 27.477 -3.297 1.00 42.04 H new ATOM 0 HA ALA A 122 13.321 27.220 -5.596 1.00 24.23 H new ATOM 0 HB1 ALA A 122 15.185 28.204 -6.888 1.00 14.25 H new ATOM 0 HB2 ALA A 122 14.662 29.274 -5.566 1.00 14.25 H new ATOM 0 HB3 ALA A 122 16.151 28.313 -5.398 1.00 14.25 H new ATOM 413 N CYS A 123 14.245 24.760 -5.257 1.00 2.33 N ATOM 414 CA CYS A 123 14.716 23.417 -5.570 1.00 30.34 C ATOM 415 C CYS A 123 14.469 23.082 -7.038 1.00 10.12 C ATOM 416 O CYS A 123 13.620 23.690 -7.690 1.00 12.54 O ATOM 417 CB CYS A 123 14.020 22.388 -4.677 1.00 3.20 C ATOM 418 SG CYS A 123 14.108 22.767 -2.897 1.00 3.54 S ATOM 0 H CYS A 123 13.349 24.789 -4.770 1.00 2.33 H new ATOM 0 HA CYS A 123 15.789 23.383 -5.383 1.00 30.34 H new ATOM 0 HB2 CYS A 123 12.973 22.317 -4.971 1.00 3.20 H new ATOM 0 HB3 CYS A 123 14.467 21.409 -4.852 1.00 3.20 H new ATOM 423 N TYR A 124 15.217 22.110 -7.552 1.00 14.54 N ATOM 424 CA TYR A 124 15.080 21.696 -8.943 1.00 22.30 C ATOM 425 C TYR A 124 15.333 20.199 -9.091 1.00 71.23 C ATOM 426 O TYR A 124 15.920 19.565 -8.214 1.00 4.54 O ATOM 427 CB TYR A 124 16.052 22.478 -9.828 1.00 4.43 C ATOM 428 CG TYR A 124 17.428 22.639 -9.221 1.00 43.11 C ATOM 429 CD1 TYR A 124 18.201 21.530 -8.901 1.00 33.41 C ATOM 430 CD2 TYR A 124 17.955 23.900 -8.968 1.00 71.45 C ATOM 431 CE1 TYR A 124 19.458 21.671 -8.346 1.00 24.14 C ATOM 432 CE2 TYR A 124 19.212 24.051 -8.415 1.00 74.52 C ATOM 433 CZ TYR A 124 19.960 22.934 -8.106 1.00 75.31 C ATOM 434 OH TYR A 124 21.212 23.080 -7.554 1.00 35.51 O ATOM 0 H TYR A 124 15.923 21.595 -7.026 1.00 14.54 H new ATOM 0 HA TYR A 124 14.059 21.908 -9.261 1.00 22.30 H new ATOM 0 HB2 TYR A 124 16.145 21.970 -10.788 1.00 4.43 H new ATOM 0 HB3 TYR A 124 15.635 23.465 -10.028 1.00 4.43 H new ATOM 0 HD1 TYR A 124 17.812 20.540 -9.089 1.00 33.41 H new ATOM 0 HD2 TYR A 124 17.372 24.777 -9.208 1.00 71.45 H new ATOM 0 HE1 TYR A 124 20.045 20.798 -8.101 1.00 24.14 H new ATOM 0 HE2 TYR A 124 19.607 25.038 -8.226 1.00 74.52 H new ATOM 0 HH TYR A 124 21.284 22.519 -6.754 1.00 35.51 H new ATOM 444 N CYS A 125 14.885 19.639 -10.210 1.00 44.22 N ATOM 445 CA CYS A 125 15.061 18.216 -10.478 1.00 3.41 C ATOM 446 C CYS A 125 16.508 17.909 -10.857 1.00 15.21 C ATOM 447 O CYS A 125 16.895 18.034 -12.018 1.00 60.21 O ATOM 448 CB CYS A 125 14.122 17.766 -11.599 1.00 14.51 C ATOM 449 SG CYS A 125 12.576 17.003 -11.011 1.00 22.51 S ATOM 0 H CYS A 125 14.397 20.149 -10.946 1.00 44.22 H new ATOM 0 HA CYS A 125 14.818 17.668 -9.568 1.00 3.41 H new ATOM 0 HB2 CYS A 125 13.876 18.627 -12.220 1.00 14.51 H new ATOM 0 HB3 CYS A 125 14.648 17.054 -12.235 1.00 14.51 H new ATOM 454 N ARG A 126 17.300 17.506 -9.868 1.00 54.12 N ATOM 455 CA ARG A 126 18.702 17.181 -10.098 1.00 2.24 C ATOM 456 C ARG A 126 18.916 15.671 -10.106 1.00 23.14 C ATOM 457 O ARG A 126 18.429 14.960 -9.227 1.00 22.31 O ATOM 458 CB ARG A 126 19.579 17.827 -9.023 1.00 34.45 C ATOM 459 CG ARG A 126 21.026 18.012 -9.448 1.00 11.22 C ATOM 460 CD ARG A 126 21.871 18.574 -8.316 1.00 22.12 C ATOM 461 NE ARG A 126 23.019 19.328 -8.812 1.00 43.31 N ATOM 462 CZ ARG A 126 24.126 18.760 -9.280 1.00 12.52 C ATOM 463 NH1 ARG A 126 24.233 17.439 -9.315 1.00 33.42 N ATOM 464 NH2 ARG A 126 25.127 19.515 -9.713 1.00 62.42 N ATOM 0 H ARG A 126 16.994 17.397 -8.901 1.00 54.12 H new ATOM 0 HA ARG A 126 18.986 17.575 -11.074 1.00 2.24 H new ATOM 0 HB2 ARG A 126 19.160 18.798 -8.759 1.00 34.45 H new ATOM 0 HB3 ARG A 126 19.549 17.212 -8.124 1.00 34.45 H new ATOM 0 HG2 ARG A 126 21.437 17.055 -9.770 1.00 11.22 H new ATOM 0 HG3 ARG A 126 21.072 18.683 -10.306 1.00 11.22 H new ATOM 0 HD2 ARG A 126 21.255 19.221 -7.691 1.00 22.12 H new ATOM 0 HD3 ARG A 126 22.219 17.757 -7.684 1.00 22.12 H new ATOM 0 HE ARG A 126 22.969 20.347 -8.799 1.00 43.31 H new ATOM 0 HH11 ARG A 126 23.465 16.856 -8.982 1.00 33.42 H new ATOM 0 HH12 ARG A 126 25.083 17.006 -9.675 1.00 33.42 H new ATOM 0 HH21 ARG A 126 25.047 20.532 -9.687 1.00 62.42 H new ATOM 0 HH22 ARG A 126 25.976 19.079 -10.072 1.00 62.42 H new ATOM 478 N VAL A 127 19.649 15.187 -11.105 1.00 34.25 N ATOM 479 CA VAL A 127 19.928 13.762 -11.227 1.00 34.13 C ATOM 480 C VAL A 127 21.075 13.345 -10.312 1.00 12.30 C ATOM 481 O VAL A 127 22.247 13.541 -10.639 1.00 55.30 O ATOM 482 CB VAL A 127 20.279 13.381 -12.677 1.00 13.12 C ATOM 483 CG1 VAL A 127 19.035 13.413 -13.553 1.00 2.30 C ATOM 484 CG2 VAL A 127 21.352 14.308 -13.226 1.00 12.21 C ATOM 0 H VAL A 127 20.060 15.762 -11.841 1.00 34.25 H new ATOM 0 HA VAL A 127 19.021 13.236 -10.930 1.00 34.13 H new ATOM 0 HB VAL A 127 20.672 12.364 -12.683 1.00 13.12 H new ATOM 0 HG11 VAL A 127 19.302 13.141 -14.574 1.00 2.30 H new ATOM 0 HG12 VAL A 127 18.301 12.704 -13.169 1.00 2.30 H new ATOM 0 HG13 VAL A 127 18.610 14.416 -13.544 1.00 2.30 H new ATOM 0 HG21 VAL A 127 21.588 14.024 -14.252 1.00 12.21 H new ATOM 0 HG22 VAL A 127 20.989 15.336 -13.208 1.00 12.21 H new ATOM 0 HG23 VAL A 127 22.249 14.229 -12.612 1.00 12.21 H new ATOM 494 N LEU A 128 20.731 12.771 -9.165 1.00 51.34 N ATOM 495 CA LEU A 128 21.732 12.326 -8.202 1.00 34.31 C ATOM 496 C LEU A 128 22.073 10.854 -8.411 1.00 3.42 C ATOM 497 O LEU A 128 22.484 10.164 -7.479 1.00 63.35 O ATOM 498 CB LEU A 128 21.228 12.546 -6.774 1.00 11.21 C ATOM 499 CG LEU A 128 20.702 13.947 -6.457 1.00 73.42 C ATOM 500 CD1 LEU A 128 19.459 13.864 -5.583 1.00 42.54 C ATOM 501 CD2 LEU A 128 21.779 14.780 -5.779 1.00 43.44 C ATOM 0 H LEU A 128 19.767 12.603 -8.879 1.00 51.34 H new ATOM 0 HA LEU A 128 22.636 12.915 -8.357 1.00 34.31 H new ATOM 0 HB2 LEU A 128 20.433 11.827 -6.576 1.00 11.21 H new ATOM 0 HB3 LEU A 128 22.041 12.320 -6.084 1.00 11.21 H new ATOM 0 HG LEU A 128 20.431 14.434 -7.394 1.00 73.42 H new ATOM 0 HD11 LEU A 128 19.098 14.870 -5.367 1.00 42.54 H new ATOM 0 HD12 LEU A 128 18.683 13.305 -6.106 1.00 42.54 H new ATOM 0 HD13 LEU A 128 19.704 13.358 -4.649 1.00 42.54 H new ATOM 0 HD21 LEU A 128 21.387 15.773 -5.561 1.00 43.44 H new ATOM 0 HD22 LEU A 128 22.081 14.297 -4.850 1.00 43.44 H new ATOM 0 HD23 LEU A 128 22.641 14.867 -6.440 1.00 43.44 H new ATOM 513 N SER A 129 21.900 10.382 -9.641 1.00 63.32 N ATOM 514 CA SER A 129 22.188 8.991 -9.974 1.00 22.31 C ATOM 515 C SER A 129 23.500 8.877 -10.745 1.00 24.33 C ATOM 516 O SER A 129 24.341 8.029 -10.441 1.00 12.14 O ATOM 517 CB SER A 129 21.047 8.394 -10.798 1.00 35.12 C ATOM 518 OG SER A 129 21.486 7.272 -11.542 1.00 43.02 O ATOM 0 H SER A 129 21.562 10.942 -10.424 1.00 63.32 H new ATOM 0 HA SER A 129 22.284 8.434 -9.042 1.00 22.31 H new ATOM 0 HB2 SER A 129 20.233 8.099 -10.136 1.00 35.12 H new ATOM 0 HB3 SER A 129 20.650 9.150 -11.475 1.00 35.12 H new ATOM 0 HG SER A 129 20.737 6.909 -12.059 1.00 43.02 H new ATOM 524 N LEU A 130 23.668 9.736 -11.743 1.00 50.43 N ATOM 525 CA LEU A 130 24.878 9.733 -12.559 1.00 52.20 C ATOM 526 C LEU A 130 25.048 8.397 -13.275 1.00 44.21 C ATOM 527 O LEU A 130 26.142 8.059 -13.726 1.00 40.43 O ATOM 528 CB LEU A 130 26.104 10.020 -11.691 1.00 51.43 C ATOM 529 CG LEU A 130 25.974 11.188 -10.712 1.00 52.30 C ATOM 530 CD1 LEU A 130 27.074 11.130 -9.663 1.00 73.31 C ATOM 531 CD2 LEU A 130 26.014 12.515 -11.456 1.00 40.43 C ATOM 0 H LEU A 130 22.983 10.444 -12.007 1.00 50.43 H new ATOM 0 HA LEU A 130 24.782 10.517 -13.310 1.00 52.20 H new ATOM 0 HB2 LEU A 130 26.341 9.120 -11.123 1.00 51.43 H new ATOM 0 HB3 LEU A 130 26.952 10.215 -12.348 1.00 51.43 H new ATOM 0 HG LEU A 130 25.012 11.107 -10.206 1.00 52.30 H new ATOM 0 HD11 LEU A 130 26.966 11.969 -8.975 1.00 73.31 H new ATOM 0 HD12 LEU A 130 26.999 10.194 -9.109 1.00 73.31 H new ATOM 0 HD13 LEU A 130 28.047 11.185 -10.152 1.00 73.31 H new ATOM 0 HD21 LEU A 130 25.920 13.335 -10.744 1.00 40.43 H new ATOM 0 HD22 LEU A 130 26.960 12.605 -11.990 1.00 40.43 H new ATOM 0 HD23 LEU A 130 25.190 12.558 -12.169 1.00 40.43 H new ATOM 543 N ASN A 131 23.959 7.642 -13.377 1.00 1.41 N ATOM 544 CA ASN A 131 23.989 6.343 -14.039 1.00 11.53 C ATOM 545 C ASN A 131 23.010 6.307 -15.209 1.00 1.23 C ATOM 546 O ASN A 131 23.250 5.637 -16.214 1.00 3.45 O ATOM 547 CB ASN A 131 23.653 5.232 -13.042 1.00 74.13 C ATOM 548 CG ASN A 131 23.899 3.849 -13.614 1.00 51.24 C ATOM 549 OD1 ASN A 131 24.982 3.560 -14.123 1.00 41.12 O ATOM 550 ND2 ASN A 131 22.892 2.987 -13.533 1.00 40.31 N ATOM 0 H ASN A 131 23.045 7.907 -13.010 1.00 1.41 H new ATOM 0 HA ASN A 131 24.995 6.182 -14.426 1.00 11.53 H new ATOM 0 HB2 ASN A 131 24.253 5.362 -12.141 1.00 74.13 H new ATOM 0 HB3 ASN A 131 22.608 5.319 -12.744 1.00 74.13 H new ATOM 0 HD21 ASN A 131 22.999 2.042 -13.901 1.00 40.31 H new ATOM 0 HD22 ASN A 131 22.012 3.270 -13.103 1.00 40.31 H new ATOM 557 N CYS A 132 21.905 7.032 -15.071 1.00 0.55 N ATOM 558 CA CYS A 132 20.889 7.084 -16.115 1.00 54.41 C ATOM 559 C CYS A 132 21.386 7.879 -17.319 1.00 1.33 C ATOM 560 O CYS A 132 20.637 8.653 -17.916 1.00 61.03 O ATOM 561 CB CYS A 132 19.602 7.710 -15.573 1.00 2.31 C ATOM 562 SG CYS A 132 18.081 6.858 -16.099 1.00 62.13 S ATOM 0 H CYS A 132 21.690 7.592 -14.246 1.00 0.55 H new ATOM 0 HA CYS A 132 20.682 6.063 -16.436 1.00 54.41 H new ATOM 0 HB2 CYS A 132 19.644 7.716 -14.484 1.00 2.31 H new ATOM 0 HB3 CYS A 132 19.553 8.750 -15.895 1.00 2.31 H new TER 567 CYS A 132