USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 96 THR OG1 : rot -35:sc= 0.0371! USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0531 (180deg=-0.348) 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 115:sc= 1.45 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.411 20.790 -20.360 1.00 74.23 N ATOM 2 CA CYS A 93 8.683 20.572 -18.944 1.00 44.45 C ATOM 3 C CYS A 93 10.113 20.975 -18.598 1.00 65.33 C ATOM 4 O CYS A 93 10.856 21.465 -19.449 1.00 55.20 O ATOM 5 CB CYS A 93 8.451 19.105 -18.578 1.00 62.03 C ATOM 6 SG CYS A 93 9.023 17.925 -19.843 1.00 53.12 S ATOM 0 HA CYS A 93 7.999 21.195 -18.368 1.00 44.45 H new ATOM 0 HB2 CYS A 93 8.961 18.891 -17.639 1.00 62.03 H new ATOM 0 HB3 CYS A 93 7.386 18.949 -18.405 1.00 62.03 H new ATOM 11 N VAL A 94 10.494 20.764 -17.343 1.00 12.25 N ATOM 12 CA VAL A 94 11.836 21.103 -16.882 1.00 75.12 C ATOM 13 C VAL A 94 12.851 20.058 -17.332 1.00 10.32 C ATOM 14 O VAL A 94 12.636 18.858 -17.165 1.00 24.23 O ATOM 15 CB VAL A 94 11.888 21.228 -15.348 1.00 2.00 C ATOM 16 CG1 VAL A 94 13.293 20.947 -14.837 1.00 3.01 C ATOM 17 CG2 VAL A 94 11.419 22.607 -14.910 1.00 3.20 C ATOM 0 H VAL A 94 9.892 20.359 -16.626 1.00 12.25 H new ATOM 0 HA VAL A 94 12.090 22.066 -17.325 1.00 75.12 H new ATOM 0 HB VAL A 94 11.215 20.487 -14.917 1.00 2.00 H new ATOM 0 HG11 VAL A 94 13.311 21.040 -13.751 1.00 3.01 H new ATOM 0 HG12 VAL A 94 13.588 19.936 -15.119 1.00 3.01 H new ATOM 0 HG13 VAL A 94 13.989 21.663 -15.274 1.00 3.01 H new ATOM 0 HG21 VAL A 94 11.462 22.678 -13.823 1.00 3.20 H new ATOM 0 HG22 VAL A 94 12.065 23.367 -15.349 1.00 3.20 H new ATOM 0 HG23 VAL A 94 10.393 22.765 -15.243 1.00 3.20 H new ATOM 27 N ALA A 95 13.958 20.523 -17.901 1.00 61.01 N ATOM 28 CA ALA A 95 15.008 19.628 -18.371 1.00 42.34 C ATOM 29 C ALA A 95 15.807 19.058 -17.205 1.00 74.41 C ATOM 30 O ALA A 95 15.756 17.858 -16.931 1.00 72.42 O ATOM 31 CB ALA A 95 15.930 20.359 -19.338 1.00 11.12 C ATOM 0 H ALA A 95 14.151 21.514 -18.048 1.00 61.01 H new ATOM 0 HA ALA A 95 14.535 18.796 -18.894 1.00 42.34 H new ATOM 0 HB1 ALA A 95 16.710 19.679 -19.681 1.00 11.12 H new ATOM 0 HB2 ALA A 95 15.354 20.712 -20.193 1.00 11.12 H new ATOM 0 HB3 ALA A 95 16.387 21.210 -18.832 1.00 11.12 H new ATOM 37 N THR A 96 16.547 19.924 -16.520 1.00 50.22 N ATOM 38 CA THR A 96 17.358 19.506 -15.383 1.00 63.22 C ATOM 39 C THR A 96 17.773 20.702 -14.534 1.00 75.32 C ATOM 40 O THR A 96 17.994 21.797 -15.052 1.00 30.12 O ATOM 41 CB THR A 96 18.621 18.754 -15.842 1.00 43.44 C ATOM 42 OG1 THR A 96 18.304 17.882 -16.933 1.00 64.41 O ATOM 43 CG2 THR A 96 19.216 17.948 -14.698 1.00 2.03 C ATOM 0 H THR A 96 16.601 20.920 -16.733 1.00 50.22 H new ATOM 0 HA THR A 96 16.742 18.836 -14.784 1.00 63.22 H new ATOM 0 HB THR A 96 19.356 19.490 -16.168 1.00 43.44 H new ATOM 0 HG1 THR A 96 17.406 17.512 -16.805 1.00 64.41 H new ATOM 0 HG21 THR A 96 20.107 17.425 -15.046 1.00 2.03 H new ATOM 0 HG22 THR A 96 19.484 18.618 -13.881 1.00 2.03 H new ATOM 0 HG23 THR A 96 18.484 17.222 -14.345 1.00 2.03 H new ATOM 51 N ARG A 97 17.875 20.486 -13.227 1.00 11.11 N ATOM 52 CA ARG A 97 18.262 21.547 -12.305 1.00 61.14 C ATOM 53 C ARG A 97 17.619 22.873 -12.701 1.00 41.23 C ATOM 54 O ARG A 97 18.250 23.926 -12.629 1.00 54.31 O ATOM 55 CB ARG A 97 19.784 21.696 -12.276 1.00 22.41 C ATOM 56 CG ARG A 97 20.365 22.274 -13.556 1.00 33.03 C ATOM 57 CD ARG A 97 20.833 21.177 -14.500 1.00 5.20 C ATOM 58 NE ARG A 97 20.754 21.589 -15.899 1.00 74.44 N ATOM 59 CZ ARG A 97 21.678 22.328 -16.502 1.00 42.21 C ATOM 60 NH1 ARG A 97 22.747 22.734 -15.831 1.00 61.12 N ATOM 61 NH2 ARG A 97 21.534 22.661 -17.778 1.00 2.32 N ATOM 0 H ARG A 97 17.695 19.586 -12.782 1.00 11.11 H new ATOM 0 HA ARG A 97 17.911 21.275 -11.310 1.00 61.14 H new ATOM 0 HB2 ARG A 97 20.062 22.337 -11.439 1.00 22.41 H new ATOM 0 HB3 ARG A 97 20.233 20.720 -12.092 1.00 22.41 H new ATOM 0 HG2 ARG A 97 19.614 22.888 -14.053 1.00 33.03 H new ATOM 0 HG3 ARG A 97 21.202 22.929 -13.314 1.00 33.03 H new ATOM 0 HD2 ARG A 97 21.861 20.906 -14.259 1.00 5.20 H new ATOM 0 HD3 ARG A 97 20.224 20.285 -14.350 1.00 5.20 H new ATOM 0 HE ARG A 97 19.944 21.293 -16.443 1.00 74.44 H new ATOM 0 HH11 ARG A 97 22.861 22.479 -14.850 1.00 61.12 H new ATOM 0 HH12 ARG A 97 23.456 23.302 -16.296 1.00 61.12 H new ATOM 0 HH21 ARG A 97 20.713 22.349 -18.297 1.00 2.32 H new ATOM 0 HH22 ARG A 97 22.244 23.229 -18.240 1.00 2.32 H new ATOM 75 N ASN A 98 16.359 22.811 -13.119 1.00 41.24 N ATOM 76 CA ASN A 98 15.630 24.007 -13.528 1.00 20.34 C ATOM 77 C ASN A 98 14.709 24.491 -12.411 1.00 22.43 C ATOM 78 O ASN A 98 14.910 25.567 -11.849 1.00 42.55 O ATOM 79 CB ASN A 98 14.813 23.725 -14.791 1.00 4.50 C ATOM 80 CG ASN A 98 14.741 24.927 -15.712 1.00 50.53 C ATOM 81 OD1 ASN A 98 14.671 26.069 -15.257 1.00 32.03 O ATOM 82 ND2 ASN A 98 14.756 24.676 -17.016 1.00 2.03 N ATOM 0 H ASN A 98 15.822 21.946 -13.184 1.00 41.24 H new ATOM 0 HA ASN A 98 16.357 24.790 -13.741 1.00 20.34 H new ATOM 0 HB2 ASN A 98 15.256 22.886 -15.327 1.00 4.50 H new ATOM 0 HB3 ASN A 98 13.804 23.426 -14.508 1.00 4.50 H new ATOM 0 HD21 ASN A 98 14.709 25.445 -17.684 1.00 2.03 H new ATOM 0 HD22 ASN A 98 14.815 23.714 -17.350 1.00 2.03 H new ATOM 89 N SER A 99 13.699 23.687 -12.094 1.00 22.02 N ATOM 90 CA SER A 99 12.746 24.034 -11.047 1.00 31.45 C ATOM 91 C SER A 99 12.064 22.784 -10.497 1.00 4.43 C ATOM 92 O SER A 99 11.854 21.809 -11.219 1.00 24.33 O ATOM 93 CB SER A 99 11.695 25.006 -11.587 1.00 32.02 C ATOM 94 OG SER A 99 10.863 25.486 -10.545 1.00 52.44 O ATOM 0 H SER A 99 13.520 22.791 -12.547 1.00 22.02 H new ATOM 0 HA SER A 99 13.293 24.515 -10.236 1.00 31.45 H new ATOM 0 HB2 SER A 99 12.189 25.844 -12.078 1.00 32.02 H new ATOM 0 HB3 SER A 99 11.087 24.507 -12.342 1.00 32.02 H new ATOM 0 HG SER A 99 10.201 26.107 -10.915 1.00 52.44 H new ATOM 100 N CYS A 100 11.720 22.821 -9.214 1.00 3.31 N ATOM 101 CA CYS A 100 11.063 21.694 -8.565 1.00 1.12 C ATOM 102 C CYS A 100 9.558 21.925 -8.465 1.00 41.53 C ATOM 103 O CYS A 100 9.017 22.840 -9.087 1.00 51.23 O ATOM 104 CB CYS A 100 11.648 21.470 -7.169 1.00 23.12 C ATOM 105 SG CYS A 100 12.731 20.010 -7.043 1.00 34.02 S ATOM 0 H CYS A 100 11.886 23.621 -8.603 1.00 3.31 H new ATOM 0 HA CYS A 100 11.238 20.806 -9.172 1.00 1.12 H new ATOM 0 HB2 CYS A 100 12.213 22.355 -6.877 1.00 23.12 H new ATOM 0 HB3 CYS A 100 10.830 21.365 -6.456 1.00 23.12 H new ATOM 110 N LYS A 101 8.887 21.090 -7.679 1.00 65.12 N ATOM 111 CA LYS A 101 7.445 21.202 -7.496 1.00 41.33 C ATOM 112 C LYS A 101 6.702 20.796 -8.765 1.00 60.31 C ATOM 113 O LYS A 101 6.196 21.633 -9.512 1.00 51.40 O ATOM 114 CB LYS A 101 7.069 22.635 -7.110 1.00 3.54 C ATOM 115 CG LYS A 101 8.001 23.251 -6.080 1.00 20.11 C ATOM 116 CD LYS A 101 8.086 22.399 -4.824 1.00 51.21 C ATOM 117 CE LYS A 101 9.040 23.002 -3.805 1.00 0.13 C ATOM 118 NZ LYS A 101 8.674 24.405 -3.465 1.00 51.10 N ATOM 0 H LYS A 101 9.320 20.327 -7.158 1.00 65.12 H new ATOM 0 HA LYS A 101 7.153 20.526 -6.692 1.00 41.33 H new ATOM 0 HB2 LYS A 101 7.070 23.256 -8.006 1.00 3.54 H new ATOM 0 HB3 LYS A 101 6.052 22.642 -6.718 1.00 3.54 H new ATOM 0 HG2 LYS A 101 8.996 23.366 -6.511 1.00 20.11 H new ATOM 0 HG3 LYS A 101 7.649 24.249 -5.820 1.00 20.11 H new ATOM 0 HD2 LYS A 101 7.094 22.301 -4.382 1.00 51.21 H new ATOM 0 HD3 LYS A 101 8.419 21.395 -5.086 1.00 51.21 H new ATOM 0 HE2 LYS A 101 9.035 22.396 -2.899 1.00 0.13 H new ATOM 0 HE3 LYS A 101 10.056 22.977 -4.199 1.00 0.13 H new ATOM 0 HZ1 LYS A 101 9.174 24.695 -2.600 1.00 51.10 H new ATOM 0 HZ2 LYS A 101 8.944 25.034 -4.248 1.00 51.10 H new ATOM 0 HZ3 LYS A 101 7.648 24.468 -3.308 1.00 51.10 H new ATOM 132 N PRO A 102 6.633 19.480 -9.015 1.00 12.14 N ATOM 133 CA PRO A 102 5.951 18.933 -10.192 1.00 2.02 C ATOM 134 C PRO A 102 4.437 19.098 -10.115 1.00 22.24 C ATOM 135 O PRO A 102 3.702 18.118 -10.000 1.00 61.40 O ATOM 136 CB PRO A 102 6.330 17.450 -10.164 1.00 42.44 C ATOM 137 CG PRO A 102 6.625 17.161 -8.732 1.00 4.41 C ATOM 138 CD PRO A 102 7.213 18.425 -8.168 1.00 1.50 C ATOM 0 HA PRO A 102 6.245 19.445 -11.108 1.00 2.02 H new ATOM 0 HB2 PRO A 102 5.516 16.826 -10.534 1.00 42.44 H new ATOM 0 HB3 PRO A 102 7.196 17.251 -10.795 1.00 42.44 H new ATOM 0 HG2 PRO A 102 5.719 16.879 -8.196 1.00 4.41 H new ATOM 0 HG3 PRO A 102 7.323 16.329 -8.637 1.00 4.41 H new ATOM 0 HD2 PRO A 102 6.946 18.559 -7.120 1.00 1.50 H new ATOM 0 HD3 PRO A 102 8.302 18.420 -8.221 1.00 1.50 H new ATOM 146 N ALA A 103 3.978 20.343 -10.177 1.00 13.31 N ATOM 147 CA ALA A 103 2.552 20.636 -10.116 1.00 35.31 C ATOM 148 C ALA A 103 2.070 21.293 -11.405 1.00 75.32 C ATOM 149 O ALA A 103 1.036 20.916 -11.956 1.00 32.11 O ATOM 150 CB ALA A 103 2.245 21.526 -8.921 1.00 31.44 C ATOM 0 H ALA A 103 4.574 21.166 -10.270 1.00 13.31 H new ATOM 0 HA ALA A 103 2.019 19.693 -9.998 1.00 35.31 H new ATOM 0 HB1 ALA A 103 1.176 21.736 -8.889 1.00 31.44 H new ATOM 0 HB2 ALA A 103 2.543 21.019 -8.003 1.00 31.44 H new ATOM 0 HB3 ALA A 103 2.796 22.462 -9.013 1.00 31.44 H new ATOM 156 N ALA A 104 2.826 22.276 -11.880 1.00 41.34 N ATOM 157 CA ALA A 104 2.477 22.985 -13.105 1.00 14.33 C ATOM 158 C ALA A 104 2.956 22.223 -14.336 1.00 55.10 C ATOM 159 O ALA A 104 2.807 22.691 -15.464 1.00 42.12 O ATOM 160 CB ALA A 104 3.066 24.388 -13.090 1.00 12.25 C ATOM 0 H ALA A 104 3.685 22.600 -11.435 1.00 41.34 H new ATOM 0 HA ALA A 104 1.391 23.059 -13.155 1.00 14.33 H new ATOM 0 HB1 ALA A 104 2.797 24.905 -14.011 1.00 12.25 H new ATOM 0 HB2 ALA A 104 2.672 24.939 -12.236 1.00 12.25 H new ATOM 0 HB3 ALA A 104 4.151 24.326 -13.012 1.00 12.25 H new ATOM 166 N ALA A 105 3.531 21.046 -14.110 1.00 74.44 N ATOM 167 CA ALA A 105 4.030 20.219 -15.202 1.00 24.24 C ATOM 168 C ALA A 105 5.383 20.718 -15.695 1.00 4.03 C ATOM 169 O ALA A 105 5.563 20.982 -16.883 1.00 74.52 O ATOM 170 CB ALA A 105 3.026 20.191 -16.345 1.00 3.11 C ATOM 0 H ALA A 105 3.663 20.644 -13.182 1.00 74.44 H new ATOM 0 HA ALA A 105 4.162 19.205 -14.825 1.00 24.24 H new ATOM 0 HB1 ALA A 105 3.412 19.570 -17.153 1.00 3.11 H new ATOM 0 HB2 ALA A 105 2.082 19.779 -15.990 1.00 3.11 H new ATOM 0 HB3 ALA A 105 2.864 21.205 -16.712 1.00 3.11 H new ATOM 176 N ALA A 106 6.332 20.848 -14.774 1.00 63.31 N ATOM 177 CA ALA A 106 7.670 21.316 -15.116 1.00 31.41 C ATOM 178 C ALA A 106 8.739 20.458 -14.447 1.00 5.45 C ATOM 179 O ALA A 106 9.478 20.932 -13.583 1.00 41.14 O ATOM 180 CB ALA A 106 7.836 22.775 -14.720 1.00 24.51 C ATOM 0 H ALA A 106 6.199 20.636 -13.785 1.00 63.31 H new ATOM 0 HA ALA A 106 7.794 21.228 -16.195 1.00 31.41 H new ATOM 0 HB1 ALA A 106 8.839 23.111 -14.981 1.00 24.51 H new ATOM 0 HB2 ALA A 106 7.101 23.382 -15.249 1.00 24.51 H new ATOM 0 HB3 ALA A 106 7.687 22.880 -13.645 1.00 24.51 H new ATOM 186 N CYS A 107 8.816 19.195 -14.849 1.00 61.13 N ATOM 187 CA CYS A 107 9.793 18.271 -14.288 1.00 25.42 C ATOM 188 C CYS A 107 9.604 16.867 -14.857 1.00 22.23 C ATOM 189 O CYS A 107 8.975 16.012 -14.231 1.00 62.44 O ATOM 190 CB CYS A 107 9.677 18.235 -12.764 1.00 13.22 C ATOM 191 SG CYS A 107 11.162 18.824 -11.890 1.00 2.14 S ATOM 0 H CYS A 107 8.212 18.787 -15.563 1.00 61.13 H new ATOM 0 HA CYS A 107 10.787 18.624 -14.561 1.00 25.42 H new ATOM 0 HB2 CYS A 107 8.825 18.844 -12.461 1.00 13.22 H new ATOM 0 HB3 CYS A 107 9.466 17.213 -12.451 1.00 13.22 H new ATOM 196 N CYS A 108 10.153 16.636 -16.045 1.00 14.44 N ATOM 197 CA CYS A 108 10.044 15.337 -16.698 1.00 43.34 C ATOM 198 C CYS A 108 11.389 14.615 -16.699 1.00 14.25 C ATOM 199 O CYS A 108 12.202 14.795 -17.605 1.00 1.20 O ATOM 200 CB CYS A 108 9.544 15.506 -18.134 1.00 52.15 C ATOM 201 SG CYS A 108 10.441 16.769 -19.091 1.00 50.25 S ATOM 0 H CYS A 108 10.678 17.332 -16.575 1.00 14.44 H new ATOM 0 HA CYS A 108 9.328 14.735 -16.138 1.00 43.34 H new ATOM 0 HB2 CYS A 108 9.625 14.549 -18.650 1.00 52.15 H new ATOM 0 HB3 CYS A 108 8.486 15.767 -18.110 1.00 52.15 H new ATOM 206 N ASP A 109 11.615 13.798 -15.675 1.00 43.24 N ATOM 207 CA ASP A 109 12.859 13.048 -15.558 1.00 1.22 C ATOM 208 C ASP A 109 12.740 11.961 -14.494 1.00 4.35 C ATOM 209 O ASP A 109 12.982 12.190 -13.308 1.00 50.12 O ATOM 210 CB ASP A 109 14.017 13.988 -15.217 1.00 13.43 C ATOM 211 CG ASP A 109 15.349 13.473 -15.725 1.00 45.12 C ATOM 212 OD1 ASP A 109 15.543 12.240 -15.739 1.00 40.14 O ATOM 213 OD2 ASP A 109 16.198 14.305 -16.109 1.00 3.24 O ATOM 0 H ASP A 109 10.953 13.639 -14.915 1.00 43.24 H new ATOM 0 HA ASP A 109 13.059 12.572 -16.518 1.00 1.22 H new ATOM 0 HB2 ASP A 109 13.823 14.970 -15.647 1.00 13.43 H new ATOM 0 HB3 ASP A 109 14.069 14.118 -14.136 1.00 13.43 H new ATOM 218 N PRO A 110 12.357 10.750 -14.924 1.00 4.10 N ATOM 219 CA PRO A 110 12.195 9.604 -14.024 1.00 23.04 C ATOM 220 C PRO A 110 13.530 9.099 -13.484 1.00 74.12 C ATOM 221 O PRO A 110 13.569 8.220 -12.623 1.00 22.33 O ATOM 222 CB PRO A 110 11.542 8.544 -14.913 1.00 23.54 C ATOM 223 CG PRO A 110 11.954 8.906 -16.299 1.00 14.23 C ATOM 224 CD PRO A 110 12.052 10.406 -16.322 1.00 62.33 C ATOM 0 HA PRO A 110 11.609 9.858 -13.141 1.00 23.04 H new ATOM 0 HB2 PRO A 110 11.880 7.542 -14.648 1.00 23.54 H new ATOM 0 HB3 PRO A 110 10.457 8.552 -14.807 1.00 23.54 H new ATOM 0 HG2 PRO A 110 12.910 8.448 -16.554 1.00 14.23 H new ATOM 0 HG3 PRO A 110 11.226 8.551 -17.028 1.00 14.23 H new ATOM 0 HD2 PRO A 110 12.835 10.747 -17.000 1.00 62.33 H new ATOM 0 HD3 PRO A 110 11.121 10.864 -16.654 1.00 62.33 H new ATOM 232 N CYS A 111 14.620 9.660 -13.996 1.00 61.04 N ATOM 233 CA CYS A 111 15.957 9.266 -13.566 1.00 53.42 C ATOM 234 C CYS A 111 16.554 10.308 -12.624 1.00 41.42 C ATOM 235 O CYS A 111 17.663 10.140 -12.120 1.00 43.01 O ATOM 236 CB CYS A 111 16.869 9.075 -14.778 1.00 43.24 C ATOM 237 SG CYS A 111 17.323 7.341 -15.103 1.00 55.04 S ATOM 0 H CYS A 111 14.604 10.389 -14.709 1.00 61.04 H new ATOM 0 HA CYS A 111 15.876 8.321 -13.029 1.00 53.42 H new ATOM 0 HB2 CYS A 111 16.373 9.481 -15.660 1.00 43.24 H new ATOM 0 HB3 CYS A 111 17.779 9.656 -14.629 1.00 43.24 H new ATOM 242 N ALA A 112 15.809 11.384 -12.393 1.00 21.32 N ATOM 243 CA ALA A 112 16.263 12.452 -11.511 1.00 12.23 C ATOM 244 C ALA A 112 15.412 12.520 -10.247 1.00 71.50 C ATOM 245 O ALA A 112 14.507 11.708 -10.053 1.00 31.53 O ATOM 246 CB ALA A 112 16.234 13.787 -12.240 1.00 62.40 C ATOM 0 H ALA A 112 14.889 11.539 -12.804 1.00 21.32 H new ATOM 0 HA ALA A 112 17.289 12.233 -11.216 1.00 12.23 H new ATOM 0 HB1 ALA A 112 16.576 14.575 -11.569 1.00 62.40 H new ATOM 0 HB2 ALA A 112 16.890 13.741 -13.110 1.00 62.40 H new ATOM 0 HB3 ALA A 112 15.216 14.002 -12.564 1.00 62.40 H new ATOM 252 N SER A 113 15.709 13.491 -9.391 1.00 14.45 N ATOM 253 CA SER A 113 14.974 13.661 -8.143 1.00 12.32 C ATOM 254 C SER A 113 14.984 15.121 -7.700 1.00 32.10 C ATOM 255 O SER A 113 15.900 15.876 -8.031 1.00 14.25 O ATOM 256 CB SER A 113 15.577 12.780 -7.046 1.00 74.20 C ATOM 257 OG SER A 113 14.755 12.768 -5.892 1.00 1.24 O ATOM 0 H SER A 113 16.454 14.172 -9.538 1.00 14.45 H new ATOM 0 HA SER A 113 13.941 13.359 -8.316 1.00 12.32 H new ATOM 0 HB2 SER A 113 15.701 11.763 -7.419 1.00 74.20 H new ATOM 0 HB3 SER A 113 16.570 13.147 -6.785 1.00 74.20 H new ATOM 0 HG SER A 113 15.161 12.197 -5.207 1.00 1.24 H new ATOM 263 N CYS A 114 13.960 15.513 -6.951 1.00 74.21 N ATOM 264 CA CYS A 114 13.848 16.883 -6.462 1.00 34.50 C ATOM 265 C CYS A 114 14.907 17.170 -5.403 1.00 24.11 C ATOM 266 O CYS A 114 14.798 16.720 -4.262 1.00 71.21 O ATOM 267 CB CYS A 114 12.453 17.128 -5.885 1.00 11.25 C ATOM 268 SG CYS A 114 12.097 18.877 -5.518 1.00 72.04 S ATOM 0 H CYS A 114 13.194 14.901 -6.669 1.00 74.21 H new ATOM 0 HA CYS A 114 14.009 17.557 -7.303 1.00 34.50 H new ATOM 0 HB2 CYS A 114 11.709 16.757 -6.590 1.00 11.25 H new ATOM 0 HB3 CYS A 114 12.343 16.546 -4.970 1.00 11.25 H new ATOM 273 N TYR A 115 15.932 17.922 -5.787 1.00 41.22 N ATOM 274 CA TYR A 115 17.013 18.269 -4.871 1.00 60.25 C ATOM 275 C TYR A 115 16.951 19.744 -4.489 1.00 32.42 C ATOM 276 O TYR A 115 16.532 20.587 -5.283 1.00 62.40 O ATOM 277 CB TYR A 115 18.368 17.951 -5.506 1.00 33.13 C ATOM 278 CG TYR A 115 19.536 18.596 -4.793 1.00 70.42 C ATOM 279 CD1 TYR A 115 20.036 18.060 -3.613 1.00 42.34 C ATOM 280 CD2 TYR A 115 20.139 19.739 -5.302 1.00 22.14 C ATOM 281 CE1 TYR A 115 21.102 18.646 -2.958 1.00 42.30 C ATOM 282 CE2 TYR A 115 21.208 20.331 -4.655 1.00 74.03 C ATOM 283 CZ TYR A 115 21.684 19.781 -3.483 1.00 51.32 C ATOM 284 OH TYR A 115 22.748 20.367 -2.835 1.00 75.23 O ATOM 0 H TYR A 115 16.038 18.304 -6.727 1.00 41.22 H new ATOM 0 HA TYR A 115 16.894 17.673 -3.966 1.00 60.25 H new ATOM 0 HB2 TYR A 115 18.511 16.870 -5.516 1.00 33.13 H new ATOM 0 HB3 TYR A 115 18.360 18.281 -6.545 1.00 33.13 H new ATOM 0 HD1 TYR A 115 19.584 17.170 -3.201 1.00 42.34 H new ATOM 0 HD2 TYR A 115 19.767 20.173 -6.218 1.00 22.14 H new ATOM 0 HE1 TYR A 115 21.477 18.218 -2.040 1.00 42.30 H new ATOM 0 HE2 TYR A 115 21.667 21.218 -5.065 1.00 74.03 H new ATOM 0 HH TYR A 115 23.042 21.156 -3.336 1.00 75.23 H new ATOM 294 N CYS A 116 17.371 20.049 -3.266 1.00 61.42 N ATOM 295 CA CYS A 116 17.364 21.421 -2.775 1.00 2.32 C ATOM 296 C CYS A 116 18.751 21.831 -2.286 1.00 51.32 C ATOM 297 O CYS A 116 19.568 20.984 -1.924 1.00 51.31 O ATOM 298 CB CYS A 116 16.347 21.576 -1.643 1.00 34.32 C ATOM 299 SG CYS A 116 14.675 20.985 -2.061 1.00 72.10 S ATOM 0 H CYS A 116 17.721 19.364 -2.596 1.00 61.42 H new ATOM 0 HA CYS A 116 17.080 22.074 -3.601 1.00 2.32 H new ATOM 0 HB2 CYS A 116 16.706 21.032 -0.769 1.00 34.32 H new ATOM 0 HB3 CYS A 116 16.290 22.628 -1.362 1.00 34.32 H new ATOM 304 N ARG A 117 19.008 23.135 -2.278 1.00 62.44 N ATOM 305 CA ARG A 117 20.295 23.656 -1.836 1.00 44.41 C ATOM 306 C ARG A 117 20.131 24.529 -0.594 1.00 41.23 C ATOM 307 O ARG A 117 19.056 24.576 0.006 1.00 42.43 O ATOM 308 CB ARG A 117 20.955 24.464 -2.955 1.00 25.32 C ATOM 309 CG ARG A 117 19.962 25.143 -3.883 1.00 53.41 C ATOM 310 CD ARG A 117 19.204 26.254 -3.170 1.00 75.54 C ATOM 311 NE ARG A 117 19.320 27.531 -3.869 1.00 13.22 N ATOM 312 CZ ARG A 117 18.774 27.772 -5.055 1.00 55.51 C ATOM 313 NH1 ARG A 117 18.076 26.828 -5.673 1.00 4.53 N ATOM 314 NH2 ARG A 117 18.924 28.960 -5.627 1.00 54.12 N ATOM 0 H ARG A 117 18.342 23.849 -2.573 1.00 62.44 H new ATOM 0 HA ARG A 117 20.933 22.809 -1.583 1.00 44.41 H new ATOM 0 HB2 ARG A 117 21.602 25.221 -2.512 1.00 25.32 H new ATOM 0 HB3 ARG A 117 21.593 23.803 -3.541 1.00 25.32 H new ATOM 0 HG2 ARG A 117 20.489 25.555 -4.744 1.00 53.41 H new ATOM 0 HG3 ARG A 117 19.256 24.406 -4.265 1.00 53.41 H new ATOM 0 HD2 ARG A 117 18.152 25.980 -3.087 1.00 75.54 H new ATOM 0 HD3 ARG A 117 19.586 26.360 -2.155 1.00 75.54 H new ATOM 0 HE ARG A 117 19.850 28.279 -3.421 1.00 13.22 H new ATOM 0 HH11 ARG A 117 17.957 25.914 -5.237 1.00 4.53 H new ATOM 0 HH12 ARG A 117 17.658 27.017 -6.584 1.00 4.53 H new ATOM 0 HH21 ARG A 117 19.459 29.689 -5.155 1.00 54.12 H new ATOM 0 HH22 ARG A 117 18.504 29.144 -6.538 1.00 54.12 H new ATOM 328 N PHE A 118 21.202 25.217 -0.215 1.00 11.04 N ATOM 329 CA PHE A 118 21.176 26.087 0.956 1.00 60.54 C ATOM 330 C PHE A 118 19.847 26.829 1.053 1.00 54.20 C ATOM 331 O PHE A 118 19.147 26.743 2.062 1.00 31.13 O ATOM 332 CB PHE A 118 22.331 27.090 0.898 1.00 75.53 C ATOM 333 CG PHE A 118 23.680 26.463 1.105 1.00 1.12 C ATOM 334 CD1 PHE A 118 24.052 25.985 2.351 1.00 21.53 C ATOM 335 CD2 PHE A 118 24.576 26.351 0.054 1.00 3.12 C ATOM 336 CE1 PHE A 118 25.294 25.409 2.546 1.00 72.43 C ATOM 337 CE2 PHE A 118 25.819 25.776 0.242 1.00 50.32 C ATOM 338 CZ PHE A 118 26.177 25.303 1.489 1.00 21.13 C ATOM 0 H PHE A 118 22.099 25.190 -0.701 1.00 11.04 H new ATOM 0 HA PHE A 118 21.289 25.464 1.843 1.00 60.54 H new ATOM 0 HB2 PHE A 118 22.317 27.592 -0.069 1.00 75.53 H new ATOM 0 HB3 PHE A 118 22.175 27.856 1.657 1.00 75.53 H new ATOM 0 HD1 PHE A 118 23.364 26.063 3.180 1.00 21.53 H new ATOM 0 HD2 PHE A 118 24.300 26.717 -0.924 1.00 3.12 H new ATOM 0 HE1 PHE A 118 25.573 25.043 3.523 1.00 72.43 H new ATOM 0 HE2 PHE A 118 26.509 25.697 -0.585 1.00 50.32 H new ATOM 0 HZ PHE A 118 27.146 24.851 1.638 1.00 21.13 H new ATOM 348 N PHE A 119 19.506 27.560 -0.003 1.00 34.11 N ATOM 349 CA PHE A 119 18.262 28.319 -0.037 1.00 40.55 C ATOM 350 C PHE A 119 17.076 27.438 0.345 1.00 13.31 C ATOM 351 O PHE A 119 16.258 27.811 1.187 1.00 23.25 O ATOM 352 CB PHE A 119 18.040 28.914 -1.430 1.00 5.20 C ATOM 353 CG PHE A 119 17.307 30.225 -1.412 1.00 23.02 C ATOM 354 CD1 PHE A 119 17.781 31.289 -0.661 1.00 52.13 C ATOM 355 CD2 PHE A 119 16.145 30.393 -2.146 1.00 74.12 C ATOM 356 CE1 PHE A 119 17.109 32.496 -0.643 1.00 55.33 C ATOM 357 CE2 PHE A 119 15.468 31.599 -2.133 1.00 3.05 C ATOM 358 CZ PHE A 119 15.950 32.651 -1.379 1.00 22.11 C ATOM 0 H PHE A 119 20.074 27.643 -0.846 1.00 34.11 H new ATOM 0 HA PHE A 119 18.340 29.128 0.689 1.00 40.55 H new ATOM 0 HB2 PHE A 119 19.006 29.054 -1.915 1.00 5.20 H new ATOM 0 HB3 PHE A 119 17.480 28.202 -2.035 1.00 5.20 H new ATOM 0 HD1 PHE A 119 18.686 31.173 -0.083 1.00 52.13 H new ATOM 0 HD2 PHE A 119 15.763 29.573 -2.736 1.00 74.12 H new ATOM 0 HE1 PHE A 119 17.489 33.318 -0.054 1.00 55.33 H new ATOM 0 HE2 PHE A 119 14.564 31.718 -2.712 1.00 3.05 H new ATOM 0 HZ PHE A 119 15.422 33.593 -1.365 1.00 22.11 H new ATOM 368 N ARG A 120 16.989 26.269 -0.280 1.00 13.14 N ATOM 369 CA ARG A 120 15.903 25.335 -0.007 1.00 3.22 C ATOM 370 C ARG A 120 14.558 25.932 -0.413 1.00 63.25 C ATOM 371 O ARG A 120 13.504 25.442 -0.011 1.00 72.23 O ATOM 372 CB ARG A 120 15.880 24.967 1.478 1.00 62.43 C ATOM 373 CG ARG A 120 15.467 23.528 1.741 1.00 32.15 C ATOM 374 CD ARG A 120 16.655 22.583 1.660 1.00 61.51 C ATOM 375 NE ARG A 120 17.486 22.642 2.860 1.00 55.02 N ATOM 376 CZ ARG A 120 18.541 21.862 3.062 1.00 45.52 C ATOM 377 NH1 ARG A 120 18.895 20.970 2.148 1.00 22.40 N ATOM 378 NH2 ARG A 120 19.247 21.976 4.180 1.00 41.41 N ATOM 0 H ARG A 120 17.658 25.946 -0.979 1.00 13.14 H new ATOM 0 HA ARG A 120 16.075 24.434 -0.596 1.00 3.22 H new ATOM 0 HB2 ARG A 120 16.870 25.135 1.901 1.00 62.43 H new ATOM 0 HB3 ARG A 120 15.193 25.634 1.999 1.00 62.43 H new ATOM 0 HG2 ARG A 120 15.009 23.454 2.727 1.00 32.15 H new ATOM 0 HG3 ARG A 120 14.711 23.227 1.015 1.00 32.15 H new ATOM 0 HD2 ARG A 120 16.298 21.563 1.517 1.00 61.51 H new ATOM 0 HD3 ARG A 120 17.259 22.834 0.788 1.00 61.51 H new ATOM 0 HE ARG A 120 17.242 23.320 3.582 1.00 55.02 H new ATOM 0 HH11 ARG A 120 18.356 20.881 1.286 1.00 22.40 H new ATOM 0 HH12 ARG A 120 19.706 20.372 2.306 1.00 22.40 H new ATOM 0 HH21 ARG A 120 18.979 22.663 4.885 1.00 41.41 H new ATOM 0 HH22 ARG A 120 20.058 21.376 4.335 1.00 41.41 H new ATOM 392 N SER A 121 14.605 26.992 -1.214 1.00 1.04 N ATOM 393 CA SER A 121 13.391 27.658 -1.672 1.00 54.21 C ATOM 394 C SER A 121 13.295 27.626 -3.194 1.00 74.41 C ATOM 395 O SER A 121 12.247 27.921 -3.767 1.00 42.02 O ATOM 396 CB SER A 121 13.361 29.106 -1.178 1.00 61.13 C ATOM 397 OG SER A 121 14.287 29.305 -0.125 1.00 34.24 O ATOM 0 H SER A 121 15.470 27.408 -1.559 1.00 1.04 H new ATOM 0 HA SER A 121 12.535 27.123 -1.260 1.00 54.21 H new ATOM 0 HB2 SER A 121 13.593 29.780 -2.003 1.00 61.13 H new ATOM 0 HB3 SER A 121 12.357 29.356 -0.835 1.00 61.13 H new ATOM 0 HG SER A 121 14.985 29.929 -0.416 1.00 34.24 H new ATOM 403 N ALA A 122 14.397 27.263 -3.842 1.00 60.24 N ATOM 404 CA ALA A 122 14.437 27.189 -5.298 1.00 3.03 C ATOM 405 C ALA A 122 14.899 25.812 -5.765 1.00 10.43 C ATOM 406 O ALA A 122 15.731 25.697 -6.665 1.00 0.53 O ATOM 407 CB ALA A 122 15.351 28.270 -5.856 1.00 4.42 C ATOM 0 H ALA A 122 15.273 27.016 -3.382 1.00 60.24 H new ATOM 0 HA ALA A 122 13.427 27.352 -5.673 1.00 3.03 H new ATOM 0 HB1 ALA A 122 15.372 28.203 -6.944 1.00 4.42 H new ATOM 0 HB2 ALA A 122 14.978 29.250 -5.560 1.00 4.42 H new ATOM 0 HB3 ALA A 122 16.359 28.132 -5.465 1.00 4.42 H new ATOM 413 N CYS A 123 14.353 24.770 -5.147 1.00 40.24 N ATOM 414 CA CYS A 123 14.708 23.401 -5.499 1.00 33.33 C ATOM 415 C CYS A 123 14.503 23.151 -6.990 1.00 20.00 C ATOM 416 O CYS A 123 13.769 23.880 -7.657 1.00 72.22 O ATOM 417 CB CYS A 123 13.873 22.410 -4.685 1.00 52.11 C ATOM 418 SG CYS A 123 13.913 22.704 -2.888 1.00 52.11 S ATOM 0 H CYS A 123 13.663 24.848 -4.400 1.00 40.24 H new ATOM 0 HA CYS A 123 15.763 23.255 -5.266 1.00 33.33 H new ATOM 0 HB2 CYS A 123 12.839 22.456 -5.027 1.00 52.11 H new ATOM 0 HB3 CYS A 123 14.230 21.400 -4.885 1.00 52.11 H new ATOM 423 N TYR A 124 15.157 22.116 -7.506 1.00 3.31 N ATOM 424 CA TYR A 124 15.049 21.771 -8.919 1.00 50.41 C ATOM 425 C TYR A 124 15.274 20.277 -9.134 1.00 1.52 C ATOM 426 O TYR A 124 15.790 19.583 -8.258 1.00 10.14 O ATOM 427 CB TYR A 124 16.060 22.573 -9.740 1.00 0.12 C ATOM 428 CG TYR A 124 17.392 22.759 -9.049 1.00 35.23 C ATOM 429 CD1 TYR A 124 18.229 21.677 -8.810 1.00 65.40 C ATOM 430 CD2 TYR A 124 17.812 24.017 -8.634 1.00 75.32 C ATOM 431 CE1 TYR A 124 19.446 21.842 -8.177 1.00 64.45 C ATOM 432 CE2 TYR A 124 19.028 24.191 -8.002 1.00 10.13 C ATOM 433 CZ TYR A 124 19.841 23.100 -7.776 1.00 1.23 C ATOM 434 OH TYR A 124 21.054 23.269 -7.147 1.00 14.44 O ATOM 0 H TYR A 124 15.767 21.501 -6.967 1.00 3.31 H new ATOM 0 HA TYR A 124 14.041 22.020 -9.251 1.00 50.41 H new ATOM 0 HB2 TYR A 124 16.222 22.069 -10.693 1.00 0.12 H new ATOM 0 HB3 TYR A 124 15.637 23.552 -9.965 1.00 0.12 H new ATOM 0 HD1 TYR A 124 17.924 20.690 -9.124 1.00 65.40 H new ATOM 0 HD2 TYR A 124 17.177 24.873 -8.809 1.00 75.32 H new ATOM 0 HE1 TYR A 124 20.084 20.990 -7.997 1.00 64.45 H new ATOM 0 HE2 TYR A 124 19.340 25.176 -7.687 1.00 10.13 H new ATOM 0 HH TYR A 124 21.181 24.216 -6.931 1.00 14.44 H new ATOM 444 N CYS A 125 14.882 19.790 -10.306 1.00 1.32 N ATOM 445 CA CYS A 125 15.039 18.379 -10.639 1.00 11.44 C ATOM 446 C CYS A 125 16.504 18.043 -10.903 1.00 74.41 C ATOM 447 O CYS A 125 16.993 18.191 -12.024 1.00 13.34 O ATOM 448 CB CYS A 125 14.194 18.025 -11.864 1.00 32.02 C ATOM 449 SG CYS A 125 12.521 17.426 -11.464 1.00 52.14 S ATOM 0 H CYS A 125 14.453 20.352 -11.042 1.00 1.32 H new ATOM 0 HA CYS A 125 14.697 17.790 -9.788 1.00 11.44 H new ATOM 0 HB2 CYS A 125 14.111 18.905 -12.501 1.00 32.02 H new ATOM 0 HB3 CYS A 125 14.714 17.261 -12.442 1.00 32.02 H new ATOM 454 N ARG A 126 17.198 17.590 -9.866 1.00 31.45 N ATOM 455 CA ARG A 126 18.607 17.233 -9.985 1.00 31.44 C ATOM 456 C ARG A 126 18.789 15.719 -9.954 1.00 34.34 C ATOM 457 O ARG A 126 18.217 15.031 -9.108 1.00 31.22 O ATOM 458 CB ARG A 126 19.416 17.878 -8.858 1.00 42.30 C ATOM 459 CG ARG A 126 20.910 17.931 -9.134 1.00 12.11 C ATOM 460 CD ARG A 126 21.305 19.230 -9.817 1.00 55.42 C ATOM 461 NE ARG A 126 22.561 19.763 -9.296 1.00 14.43 N ATOM 462 CZ ARG A 126 23.316 20.638 -9.951 1.00 1.22 C ATOM 463 NH1 ARG A 126 22.944 21.077 -11.146 1.00 10.15 N ATOM 464 NH2 ARG A 126 24.446 21.076 -9.411 1.00 13.53 N ATOM 0 H ARG A 126 16.808 17.461 -8.932 1.00 31.45 H new ATOM 0 HA ARG A 126 18.970 17.606 -10.943 1.00 31.44 H new ATOM 0 HB2 ARG A 126 19.049 18.891 -8.693 1.00 42.30 H new ATOM 0 HB3 ARG A 126 19.245 17.323 -7.936 1.00 42.30 H new ATOM 0 HG2 ARG A 126 21.458 17.830 -8.197 1.00 12.11 H new ATOM 0 HG3 ARG A 126 21.195 17.087 -9.762 1.00 12.11 H new ATOM 0 HD2 ARG A 126 21.400 19.061 -10.890 1.00 55.42 H new ATOM 0 HD3 ARG A 126 20.514 19.967 -9.679 1.00 55.42 H new ATOM 0 HE ARG A 126 22.876 19.446 -8.379 1.00 14.43 H new ATOM 0 HH11 ARG A 126 22.076 20.743 -11.565 1.00 10.15 H new ATOM 0 HH12 ARG A 126 23.526 21.749 -11.646 1.00 10.15 H new ATOM 0 HH21 ARG A 126 24.736 20.741 -8.492 1.00 13.53 H new ATOM 0 HH22 ARG A 126 25.025 21.748 -9.915 1.00 13.53 H new ATOM 478 N VAL A 127 19.590 15.204 -10.881 1.00 50.53 N ATOM 479 CA VAL A 127 19.848 13.771 -10.960 1.00 12.24 C ATOM 480 C VAL A 127 20.884 13.342 -9.927 1.00 12.11 C ATOM 481 O VAL A 127 22.084 13.548 -10.113 1.00 62.44 O ATOM 482 CB VAL A 127 20.339 13.365 -12.363 1.00 53.50 C ATOM 483 CG1 VAL A 127 19.196 13.424 -13.366 1.00 15.32 C ATOM 484 CG2 VAL A 127 21.490 14.256 -12.802 1.00 21.02 C ATOM 0 H VAL A 127 20.072 15.758 -11.589 1.00 50.53 H new ATOM 0 HA VAL A 127 18.903 13.267 -10.754 1.00 12.24 H new ATOM 0 HB VAL A 127 20.701 12.338 -12.320 1.00 53.50 H new ATOM 0 HG11 VAL A 127 19.561 13.134 -14.351 1.00 15.32 H new ATOM 0 HG12 VAL A 127 18.405 12.741 -13.057 1.00 15.32 H new ATOM 0 HG13 VAL A 127 18.802 14.439 -13.409 1.00 15.32 H new ATOM 0 HG21 VAL A 127 21.825 13.955 -13.795 1.00 21.02 H new ATOM 0 HG22 VAL A 127 21.157 15.293 -12.830 1.00 21.02 H new ATOM 0 HG23 VAL A 127 22.315 14.159 -12.096 1.00 21.02 H new ATOM 494 N LEU A 128 20.413 12.746 -8.838 1.00 63.22 N ATOM 495 CA LEU A 128 21.300 12.286 -7.774 1.00 20.21 C ATOM 496 C LEU A 128 21.637 10.809 -7.946 1.00 34.11 C ATOM 497 O LEU A 128 21.938 10.114 -6.976 1.00 35.24 O ATOM 498 CB LEU A 128 20.651 12.518 -6.408 1.00 62.10 C ATOM 499 CG LEU A 128 20.146 13.935 -6.136 1.00 45.04 C ATOM 500 CD1 LEU A 128 18.810 13.896 -5.412 1.00 73.34 C ATOM 501 CD2 LEU A 128 21.169 14.721 -5.328 1.00 70.40 C ATOM 0 H LEU A 128 19.423 12.570 -8.668 1.00 63.22 H new ATOM 0 HA LEU A 128 22.225 12.859 -7.832 1.00 20.21 H new ATOM 0 HB2 LEU A 128 19.813 11.829 -6.305 1.00 62.10 H new ATOM 0 HB3 LEU A 128 21.375 12.257 -5.636 1.00 62.10 H new ATOM 0 HG LEU A 128 20.004 14.438 -7.092 1.00 45.04 H new ATOM 0 HD11 LEU A 128 18.467 14.914 -5.227 1.00 73.34 H new ATOM 0 HD12 LEU A 128 18.078 13.372 -6.027 1.00 73.34 H new ATOM 0 HD13 LEU A 128 18.926 13.374 -4.462 1.00 73.34 H new ATOM 0 HD21 LEU A 128 20.792 15.727 -5.144 1.00 70.40 H new ATOM 0 HD22 LEU A 128 21.344 14.219 -4.376 1.00 70.40 H new ATOM 0 HD23 LEU A 128 22.104 14.780 -5.884 1.00 70.40 H new ATOM 513 N SER A 129 21.585 10.335 -9.186 1.00 54.25 N ATOM 514 CA SER A 129 21.883 8.939 -9.486 1.00 12.41 C ATOM 515 C SER A 129 23.292 8.793 -10.049 1.00 3.40 C ATOM 516 O SER A 129 24.028 7.876 -9.684 1.00 74.43 O ATOM 517 CB SER A 129 20.863 8.380 -10.481 1.00 4.25 C ATOM 518 OG SER A 129 19.584 8.258 -9.885 1.00 15.11 O ATOM 0 H SER A 129 21.339 10.898 -10.001 1.00 54.25 H new ATOM 0 HA SER A 129 21.822 8.373 -8.557 1.00 12.41 H new ATOM 0 HB2 SER A 129 20.802 9.035 -11.350 1.00 4.25 H new ATOM 0 HB3 SER A 129 21.195 7.406 -10.839 1.00 4.25 H new ATOM 0 HG SER A 129 18.950 7.901 -10.541 1.00 15.11 H new ATOM 524 N LEU A 130 23.664 9.706 -10.940 1.00 51.23 N ATOM 525 CA LEU A 130 24.987 9.681 -11.555 1.00 55.15 C ATOM 526 C LEU A 130 25.203 8.384 -12.328 1.00 61.32 C ATOM 527 O LEU A 130 26.338 7.986 -12.587 1.00 31.00 O ATOM 528 CB LEU A 130 26.070 9.839 -10.487 1.00 23.21 C ATOM 529 CG LEU A 130 25.880 10.993 -9.503 1.00 12.21 C ATOM 530 CD1 LEU A 130 26.872 10.886 -8.355 1.00 62.55 C ATOM 531 CD2 LEU A 130 26.028 12.330 -10.214 1.00 44.51 C ATOM 0 H LEU A 130 23.068 10.473 -11.253 1.00 51.23 H new ATOM 0 HA LEU A 130 25.052 10.514 -12.255 1.00 55.15 H new ATOM 0 HB2 LEU A 130 26.130 8.910 -9.919 1.00 23.21 H new ATOM 0 HB3 LEU A 130 27.029 9.969 -10.988 1.00 23.21 H new ATOM 0 HG LEU A 130 24.872 10.931 -9.092 1.00 12.21 H new ATOM 0 HD11 LEU A 130 26.721 11.716 -7.665 1.00 62.55 H new ATOM 0 HD12 LEU A 130 26.719 9.944 -7.828 1.00 62.55 H new ATOM 0 HD13 LEU A 130 27.888 10.921 -8.748 1.00 62.55 H new ATOM 0 HD21 LEU A 130 25.890 13.140 -9.498 1.00 44.51 H new ATOM 0 HD22 LEU A 130 27.023 12.400 -10.654 1.00 44.51 H new ATOM 0 HD23 LEU A 130 25.278 12.409 -11.001 1.00 44.51 H new ATOM 543 N ASN A 131 24.107 7.730 -12.695 1.00 75.34 N ATOM 544 CA ASN A 131 24.176 6.478 -13.440 1.00 22.23 C ATOM 545 C ASN A 131 23.454 6.600 -14.779 1.00 43.33 C ATOM 546 O ASN A 131 23.855 5.991 -15.771 1.00 24.55 O ATOM 547 CB ASN A 131 23.566 5.338 -12.622 1.00 54.12 C ATOM 548 CG ASN A 131 23.699 3.995 -13.311 1.00 61.43 C ATOM 549 OD1 ASN A 131 22.710 3.408 -13.749 1.00 32.41 O ATOM 550 ND2 ASN A 131 24.928 3.501 -13.412 1.00 3.34 N ATOM 0 H ASN A 131 23.159 8.046 -12.489 1.00 75.34 H new ATOM 0 HA ASN A 131 25.226 6.257 -13.632 1.00 22.23 H new ATOM 0 HB2 ASN A 131 24.053 5.293 -11.648 1.00 54.12 H new ATOM 0 HB3 ASN A 131 22.512 5.548 -12.442 1.00 54.12 H new ATOM 0 HD21 ASN A 131 25.080 2.601 -13.867 1.00 3.34 H new ATOM 0 HD22 ASN A 131 25.720 4.022 -13.035 1.00 3.34 H new ATOM 557 N CYS A 132 22.389 7.394 -14.799 1.00 60.23 N ATOM 558 CA CYS A 132 21.610 7.598 -16.016 1.00 24.11 C ATOM 559 C CYS A 132 22.353 8.507 -16.991 1.00 62.40 C ATOM 560 O CYS A 132 21.782 8.975 -17.976 1.00 30.20 O ATOM 561 CB CYS A 132 20.247 8.202 -15.677 1.00 55.03 C ATOM 562 SG CYS A 132 19.249 7.194 -14.534 1.00 20.55 S ATOM 0 H CYS A 132 22.045 7.907 -13.987 1.00 60.23 H new ATOM 0 HA CYS A 132 21.463 6.628 -16.491 1.00 24.11 H new ATOM 0 HB2 CYS A 132 20.398 9.188 -15.237 1.00 55.03 H new ATOM 0 HB3 CYS A 132 19.686 8.347 -16.600 1.00 55.03 H new