USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 302 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 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot -150:sc= -0.477 USER MOD Single : A 153 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.085) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 THR OG1 : rot 167:sc= -0.0981 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 10.148 -1.470 -5.764 1.00 12.41 N ATOM 50 CA GLN A 113 10.956 -2.430 -6.506 1.00 33.43 C ATOM 51 C GLN A 113 12.266 -2.716 -5.779 1.00 51.22 C ATOM 52 O GLN A 113 12.955 -1.797 -5.337 1.00 51.41 O ATOM 53 CB GLN A 113 11.243 -1.907 -7.914 1.00 62.21 C ATOM 54 CG GLN A 113 12.138 -2.824 -8.733 1.00 11.12 C ATOM 55 CD GLN A 113 12.544 -2.211 -10.059 1.00 32.33 C ATOM 56 OE1 GLN A 113 13.445 -1.374 -10.119 1.00 33.01 O ATOM 57 NE2 GLN A 113 11.880 -2.626 -11.131 1.00 73.50 N ATOM 0 HA GLN A 113 10.393 -3.360 -6.580 1.00 33.43 H new ATOM 0 HB2 GLN A 113 10.299 -1.769 -8.441 1.00 62.21 H new ATOM 0 HB3 GLN A 113 11.713 -0.926 -7.840 1.00 62.21 H new ATOM 0 HG2 GLN A 113 13.033 -3.061 -8.157 1.00 11.12 H new ATOM 0 HG3 GLN A 113 11.618 -3.764 -8.916 1.00 11.12 H new ATOM 0 HE21 GLN A 113 11.140 -3.322 -11.035 1.00 73.50 H new ATOM 0 HE22 GLN A 113 12.110 -2.249 -12.051 1.00 73.50 H new ATOM 66 N SER A 114 12.604 -3.996 -5.659 1.00 53.21 N ATOM 67 CA SER A 114 13.829 -4.403 -4.982 1.00 45.42 C ATOM 68 C SER A 114 14.747 -5.166 -5.932 1.00 71.34 C ATOM 69 O SER A 114 14.367 -5.485 -7.060 1.00 21.34 O ATOM 70 CB SER A 114 13.501 -5.270 -3.765 1.00 44.41 C ATOM 71 OG SER A 114 12.293 -4.853 -3.153 1.00 4.23 O ATOM 0 H SER A 114 12.046 -4.769 -6.022 1.00 53.21 H new ATOM 0 HA SER A 114 14.347 -3.503 -4.649 1.00 45.42 H new ATOM 0 HB2 SER A 114 13.417 -6.313 -4.070 1.00 44.41 H new ATOM 0 HB3 SER A 114 14.316 -5.213 -3.044 1.00 44.41 H new ATOM 0 HG SER A 114 12.104 -5.424 -2.379 1.00 4.23 H new ATOM 77 N THR A 115 15.959 -5.457 -5.469 1.00 53.10 N ATOM 78 CA THR A 115 16.932 -6.182 -6.276 1.00 41.41 C ATOM 79 C THR A 115 17.035 -7.638 -5.837 1.00 2.30 C ATOM 80 O THR A 115 16.983 -7.943 -4.645 1.00 52.31 O ATOM 81 CB THR A 115 18.326 -5.532 -6.192 1.00 62.05 C ATOM 82 OG1 THR A 115 19.281 -6.328 -6.903 1.00 21.20 O ATOM 83 CG2 THR A 115 18.765 -5.377 -4.744 1.00 60.12 C ATOM 0 H THR A 115 16.290 -5.201 -4.539 1.00 53.10 H new ATOM 0 HA THR A 115 16.581 -6.141 -7.307 1.00 41.41 H new ATOM 0 HB THR A 115 18.269 -4.542 -6.645 1.00 62.05 H new ATOM 0 HG1 THR A 115 20.164 -5.907 -6.846 1.00 21.20 H new ATOM 0 HG21 THR A 115 19.752 -4.916 -4.710 1.00 60.12 H new ATOM 0 HG22 THR A 115 18.052 -4.747 -4.213 1.00 60.12 H new ATOM 0 HG23 THR A 115 18.806 -6.357 -4.269 1.00 60.12 H new ATOM 91 N CYS A 116 17.183 -8.534 -6.807 1.00 31.24 N ATOM 92 CA CYS A 116 17.294 -9.959 -6.521 1.00 30.43 C ATOM 93 C CYS A 116 17.505 -10.757 -7.804 1.00 71.04 C ATOM 94 O CYS A 116 17.165 -10.315 -8.902 1.00 65.03 O ATOM 95 CB CYS A 116 16.039 -10.456 -5.799 1.00 42.55 C ATOM 96 SG CYS A 116 14.480 -9.833 -6.507 1.00 30.40 S ATOM 0 H CYS A 116 17.229 -8.298 -7.798 1.00 31.24 H new ATOM 0 HA CYS A 116 18.159 -10.107 -5.875 1.00 30.43 H new ATOM 0 HB2 CYS A 116 16.027 -11.546 -5.822 1.00 42.55 H new ATOM 0 HB3 CYS A 116 16.094 -10.160 -4.751 1.00 42.55 H new ATOM 101 N PRO A 117 18.079 -11.961 -7.665 1.00 73.31 N ATOM 102 CA PRO A 117 18.347 -12.847 -8.802 1.00 43.43 C ATOM 103 C PRO A 117 17.069 -13.417 -9.407 1.00 41.15 C ATOM 104 O PRO A 117 16.269 -14.042 -8.713 1.00 72.40 O ATOM 105 CB PRO A 117 19.194 -13.965 -8.189 1.00 52.21 C ATOM 106 CG PRO A 117 18.817 -13.979 -6.748 1.00 15.30 C ATOM 107 CD PRO A 117 18.509 -12.552 -6.387 1.00 0.14 C ATOM 0 HA PRO A 117 18.839 -12.322 -9.621 1.00 43.43 H new ATOM 0 HB2 PRO A 117 18.985 -14.925 -8.662 1.00 52.21 H new ATOM 0 HB3 PRO A 117 20.259 -13.771 -8.318 1.00 52.21 H new ATOM 0 HG2 PRO A 117 17.952 -14.620 -6.577 1.00 15.30 H new ATOM 0 HG3 PRO A 117 19.630 -14.370 -6.136 1.00 15.30 H new ATOM 0 HD2 PRO A 117 17.726 -12.489 -5.632 1.00 0.14 H new ATOM 0 HD3 PRO A 117 19.384 -12.042 -5.983 1.00 0.14 H new ATOM 115 N GLU A 118 16.885 -13.197 -10.705 1.00 52.35 N ATOM 116 CA GLU A 118 15.703 -13.689 -11.403 1.00 33.32 C ATOM 117 C GLU A 118 15.499 -15.179 -11.143 1.00 62.20 C ATOM 118 O GLU A 118 16.463 -15.934 -11.009 1.00 50.23 O ATOM 119 CB GLU A 118 15.827 -13.435 -12.906 1.00 43.05 C ATOM 120 CG GLU A 118 14.490 -13.261 -13.607 1.00 44.42 C ATOM 121 CD GLU A 118 13.902 -14.577 -14.078 1.00 3.33 C ATOM 122 OE1 GLU A 118 14.676 -15.441 -14.540 1.00 34.21 O ATOM 123 OE2 GLU A 118 12.668 -14.742 -13.983 1.00 51.32 O ATOM 0 H GLU A 118 17.539 -12.682 -11.294 1.00 52.35 H new ATOM 0 HA GLU A 118 14.837 -13.149 -11.022 1.00 33.32 H new ATOM 0 HB2 GLU A 118 16.431 -12.542 -13.066 1.00 43.05 H new ATOM 0 HB3 GLU A 118 16.362 -14.267 -13.364 1.00 43.05 H new ATOM 0 HG2 GLU A 118 13.788 -12.776 -12.928 1.00 44.42 H new ATOM 0 HG3 GLU A 118 14.616 -12.597 -14.462 1.00 44.42 H new ATOM 130 N ILE A 119 14.239 -15.595 -11.072 1.00 40.45 N ATOM 131 CA ILE A 119 13.909 -16.993 -10.829 1.00 71.43 C ATOM 132 C ILE A 119 14.373 -17.876 -11.983 1.00 22.34 C ATOM 133 O ILE A 119 14.144 -17.580 -13.155 1.00 74.23 O ATOM 134 CB ILE A 119 12.395 -17.187 -10.627 1.00 35.34 C ATOM 135 CG1 ILE A 119 11.893 -16.301 -9.484 1.00 62.43 C ATOM 136 CG2 ILE A 119 12.081 -18.649 -10.347 1.00 75.52 C ATOM 137 CD1 ILE A 119 12.489 -16.655 -8.139 1.00 51.25 C ATOM 0 H ILE A 119 13.430 -14.983 -11.179 1.00 40.45 H new ATOM 0 HA ILE A 119 14.430 -17.286 -9.917 1.00 71.43 H new ATOM 0 HB ILE A 119 11.881 -16.894 -11.542 1.00 35.34 H new ATOM 0 HG12 ILE A 119 12.125 -15.261 -9.713 1.00 62.43 H new ATOM 0 HG13 ILE A 119 10.808 -16.380 -9.424 1.00 62.43 H new ATOM 0 HG21 ILE A 119 11.007 -18.770 -10.206 1.00 75.52 H new ATOM 0 HG22 ILE A 119 12.408 -19.259 -11.189 1.00 75.52 H new ATOM 0 HG23 ILE A 119 12.603 -18.967 -9.445 1.00 75.52 H new ATOM 0 HD11 ILE A 119 12.089 -15.987 -7.376 1.00 51.25 H new ATOM 0 HD12 ILE A 119 12.235 -17.685 -7.888 1.00 51.25 H new ATOM 0 HD13 ILE A 119 13.573 -16.548 -8.182 1.00 51.25 H new ATOM 149 N PRO A 120 15.041 -18.989 -11.644 1.00 23.10 N ATOM 150 CA PRO A 120 15.550 -19.940 -12.637 1.00 0.01 C ATOM 151 C PRO A 120 14.430 -20.706 -13.333 1.00 23.34 C ATOM 152 O PRO A 120 13.439 -21.080 -12.706 1.00 32.51 O ATOM 153 CB PRO A 120 16.414 -20.892 -11.806 1.00 73.30 C ATOM 154 CG PRO A 120 15.847 -20.815 -10.430 1.00 41.24 C ATOM 155 CD PRO A 120 15.351 -19.405 -10.266 1.00 11.13 C ATOM 0 HA PRO A 120 16.093 -19.441 -13.439 1.00 0.01 H new ATOM 0 HB2 PRO A 120 16.370 -21.909 -12.196 1.00 73.30 H new ATOM 0 HB3 PRO A 120 17.461 -20.590 -11.820 1.00 73.30 H new ATOM 0 HG2 PRO A 120 15.036 -21.532 -10.301 1.00 41.24 H new ATOM 0 HG3 PRO A 120 16.604 -21.052 -9.682 1.00 41.24 H new ATOM 0 HD2 PRO A 120 14.470 -19.361 -9.625 1.00 11.13 H new ATOM 0 HD3 PRO A 120 16.107 -18.763 -9.813 1.00 11.13 H new ATOM 163 N ASP A 121 14.595 -20.937 -14.630 1.00 42.14 N ATOM 164 CA ASP A 121 13.598 -21.660 -15.411 1.00 65.52 C ATOM 165 C ASP A 121 14.261 -22.702 -16.307 1.00 45.35 C ATOM 166 O ASP A 121 15.413 -22.544 -16.714 1.00 73.14 O ATOM 167 CB ASP A 121 12.779 -20.687 -16.259 1.00 52.24 C ATOM 168 CG ASP A 121 12.146 -19.587 -15.430 1.00 32.34 C ATOM 169 OD1 ASP A 121 11.422 -19.913 -14.465 1.00 24.31 O ATOM 170 OD2 ASP A 121 12.374 -18.401 -15.744 1.00 44.22 O ATOM 0 H ASP A 121 15.410 -20.634 -15.163 1.00 42.14 H new ATOM 0 HA ASP A 121 12.932 -22.174 -14.718 1.00 65.52 H new ATOM 0 HB2 ASP A 121 13.422 -20.241 -17.018 1.00 52.24 H new ATOM 0 HB3 ASP A 121 11.998 -21.236 -16.785 1.00 52.24 H new ATOM 175 N LYS A 122 13.528 -23.767 -16.611 1.00 34.00 N ATOM 176 CA LYS A 122 14.043 -24.835 -17.459 1.00 71.31 C ATOM 177 C LYS A 122 14.229 -24.350 -18.893 1.00 54.21 C ATOM 178 O LYS A 122 14.858 -25.022 -19.711 1.00 3.41 O ATOM 179 CB LYS A 122 13.095 -26.036 -17.435 1.00 34.13 C ATOM 180 CG LYS A 122 13.390 -27.022 -16.318 1.00 24.20 C ATOM 181 CD LYS A 122 14.490 -27.995 -16.710 1.00 34.21 C ATOM 182 CE LYS A 122 14.852 -28.920 -15.558 1.00 61.10 C ATOM 183 NZ LYS A 122 13.835 -29.991 -15.365 1.00 50.41 N ATOM 0 H LYS A 122 12.574 -23.914 -16.282 1.00 34.00 H new ATOM 0 HA LYS A 122 15.014 -25.138 -17.068 1.00 71.31 H new ATOM 0 HB2 LYS A 122 12.071 -25.678 -17.331 1.00 34.13 H new ATOM 0 HB3 LYS A 122 13.155 -26.555 -18.392 1.00 34.13 H new ATOM 0 HG2 LYS A 122 13.686 -26.479 -15.421 1.00 24.20 H new ATOM 0 HG3 LYS A 122 12.484 -27.576 -16.071 1.00 24.20 H new ATOM 0 HD2 LYS A 122 14.165 -28.587 -17.566 1.00 34.21 H new ATOM 0 HD3 LYS A 122 15.374 -27.440 -17.024 1.00 34.21 H new ATOM 0 HE2 LYS A 122 15.825 -29.373 -15.748 1.00 61.10 H new ATOM 0 HE3 LYS A 122 14.945 -28.338 -14.641 1.00 61.10 H new ATOM 0 HZ1 LYS A 122 14.118 -30.600 -14.571 1.00 50.41 H new ATOM 0 HZ2 LYS A 122 12.912 -29.560 -15.158 1.00 50.41 H new ATOM 0 HZ3 LYS A 122 13.764 -30.562 -16.231 1.00 50.41 H new ATOM 197 N THR A 123 13.678 -23.177 -19.192 1.00 73.44 N ATOM 198 CA THR A 123 13.783 -22.602 -20.527 1.00 51.12 C ATOM 199 C THR A 123 14.528 -21.272 -20.496 1.00 20.53 C ATOM 200 O THR A 123 14.997 -20.788 -21.526 1.00 32.13 O ATOM 201 CB THR A 123 12.394 -22.384 -21.156 1.00 72.12 C ATOM 202 OG1 THR A 123 11.588 -21.571 -20.295 1.00 63.44 O ATOM 203 CG2 THR A 123 11.698 -23.714 -21.404 1.00 54.34 C ATOM 0 H THR A 123 13.155 -22.607 -18.527 1.00 73.44 H new ATOM 0 HA THR A 123 14.341 -23.314 -21.134 1.00 51.12 H new ATOM 0 HB THR A 123 12.528 -21.878 -22.112 1.00 72.12 H new ATOM 0 HG1 THR A 123 10.707 -21.436 -20.703 1.00 63.44 H new ATOM 0 HG21 THR A 123 10.719 -23.535 -21.848 1.00 54.34 H new ATOM 0 HG22 THR A 123 12.300 -24.319 -22.083 1.00 54.34 H new ATOM 0 HG23 THR A 123 11.576 -24.243 -20.459 1.00 54.34 H new ATOM 211 N SER A 124 14.634 -20.687 -19.307 1.00 65.11 N ATOM 212 CA SER A 124 15.321 -19.411 -19.142 1.00 73.01 C ATOM 213 C SER A 124 16.556 -19.569 -18.261 1.00 44.53 C ATOM 214 O SER A 124 16.448 -19.827 -17.062 1.00 42.32 O ATOM 215 CB SER A 124 14.375 -18.374 -18.533 1.00 31.32 C ATOM 216 OG SER A 124 14.782 -17.057 -18.862 1.00 34.32 O ATOM 0 H SER A 124 14.253 -21.076 -18.444 1.00 65.11 H new ATOM 0 HA SER A 124 15.640 -19.068 -20.126 1.00 73.01 H new ATOM 0 HB2 SER A 124 13.361 -18.546 -18.894 1.00 31.32 H new ATOM 0 HB3 SER A 124 14.351 -18.491 -17.450 1.00 31.32 H new ATOM 0 HG SER A 124 14.160 -16.413 -18.463 1.00 34.32 H new ATOM 222 N ILE A 125 17.729 -19.411 -18.865 1.00 64.31 N ATOM 223 CA ILE A 125 18.986 -19.535 -18.136 1.00 52.25 C ATOM 224 C ILE A 125 19.826 -18.270 -18.271 1.00 41.52 C ATOM 225 O ILE A 125 19.619 -17.468 -19.183 1.00 3.34 O ATOM 226 CB ILE A 125 19.808 -20.739 -18.632 1.00 41.02 C ATOM 227 CG1 ILE A 125 18.880 -21.835 -19.160 1.00 24.31 C ATOM 228 CG2 ILE A 125 20.689 -21.276 -17.514 1.00 14.44 C ATOM 229 CD1 ILE A 125 17.903 -22.350 -18.126 1.00 5.42 C ATOM 0 H ILE A 125 17.835 -19.197 -19.857 1.00 64.31 H new ATOM 0 HA ILE A 125 18.729 -19.688 -17.088 1.00 52.25 H new ATOM 0 HB ILE A 125 20.451 -20.410 -19.448 1.00 41.02 H new ATOM 0 HG12 ILE A 125 18.323 -21.448 -20.013 1.00 24.31 H new ATOM 0 HG13 ILE A 125 19.483 -22.667 -19.524 1.00 24.31 H new ATOM 0 HG21 ILE A 125 21.264 -22.127 -17.880 1.00 14.44 H new ATOM 0 HG22 ILE A 125 21.371 -20.494 -17.181 1.00 14.44 H new ATOM 0 HG23 ILE A 125 20.064 -21.593 -16.679 1.00 14.44 H new ATOM 0 HD11 ILE A 125 17.277 -23.124 -18.570 1.00 5.42 H new ATOM 0 HD12 ILE A 125 18.453 -22.767 -17.282 1.00 5.42 H new ATOM 0 HD13 ILE A 125 17.274 -21.530 -17.779 1.00 5.42 H new ATOM 241 N CYS A 126 20.777 -18.097 -17.359 1.00 34.23 N ATOM 242 CA CYS A 126 21.651 -16.930 -17.375 1.00 74.52 C ATOM 243 C CYS A 126 23.064 -17.315 -17.804 1.00 33.43 C ATOM 244 O CYS A 126 23.562 -18.382 -17.447 1.00 44.04 O ATOM 245 CB CYS A 126 21.686 -16.274 -15.994 1.00 32.14 C ATOM 246 SG CYS A 126 22.925 -14.948 -15.832 1.00 34.33 S ATOM 0 H CYS A 126 20.962 -18.751 -16.599 1.00 34.23 H new ATOM 0 HA CYS A 126 21.252 -16.218 -18.098 1.00 74.52 H new ATOM 0 HB2 CYS A 126 20.700 -15.865 -15.773 1.00 32.14 H new ATOM 0 HB3 CYS A 126 21.889 -17.039 -15.245 1.00 32.14 H new ATOM 251 N ASN A 127 23.703 -16.438 -18.571 1.00 20.23 N ATOM 252 CA ASN A 127 25.059 -16.686 -19.048 1.00 55.25 C ATOM 253 C ASN A 127 26.080 -15.931 -18.203 1.00 53.41 C ATOM 254 O ASN A 127 25.718 -15.200 -17.281 1.00 4.22 O ATOM 255 CB ASN A 127 25.188 -16.272 -20.516 1.00 1.54 C ATOM 256 CG ASN A 127 24.264 -17.061 -21.423 1.00 10.50 C ATOM 257 OD1 ASN A 127 24.645 -18.098 -21.966 1.00 5.43 O ATOM 258 ND2 ASN A 127 23.041 -16.571 -21.592 1.00 2.02 N ATOM 0 H ASN A 127 23.304 -15.550 -18.875 1.00 20.23 H new ATOM 0 HA ASN A 127 25.260 -17.754 -18.959 1.00 55.25 H new ATOM 0 HB2 ASN A 127 24.966 -15.209 -20.612 1.00 1.54 H new ATOM 0 HB3 ASN A 127 26.219 -16.413 -20.841 1.00 1.54 H new ATOM 0 HD21 ASN A 127 22.375 -17.058 -22.192 1.00 2.02 H new ATOM 0 HD22 ASN A 127 22.768 -15.708 -21.122 1.00 2.02 H new ATOM 265 N SER A 128 27.356 -16.112 -18.525 1.00 25.30 N ATOM 266 CA SER A 128 28.431 -15.451 -17.794 1.00 13.15 C ATOM 267 C SER A 128 28.312 -13.934 -17.907 1.00 72.13 C ATOM 268 O SER A 128 27.518 -13.420 -18.696 1.00 24.11 O ATOM 269 CB SER A 128 29.792 -15.908 -18.321 1.00 21.11 C ATOM 270 OG SER A 128 30.055 -17.252 -17.956 1.00 61.05 O ATOM 0 H SER A 128 27.671 -16.711 -19.288 1.00 25.30 H new ATOM 0 HA SER A 128 28.346 -15.728 -16.743 1.00 13.15 H new ATOM 0 HB2 SER A 128 29.816 -15.811 -19.406 1.00 21.11 H new ATOM 0 HB3 SER A 128 30.575 -15.261 -17.926 1.00 21.11 H new ATOM 0 HG SER A 128 30.930 -17.521 -18.306 1.00 61.05 H new ATOM 276 N ASP A 129 29.106 -13.224 -17.114 1.00 10.20 N ATOM 277 CA ASP A 129 29.092 -11.766 -17.125 1.00 52.41 C ATOM 278 C ASP A 129 29.360 -11.230 -18.528 1.00 74.22 C ATOM 279 O ASP A 129 28.813 -10.202 -18.925 1.00 42.35 O ATOM 280 CB ASP A 129 30.133 -11.217 -16.149 1.00 4.31 C ATOM 281 CG ASP A 129 31.553 -11.428 -16.638 1.00 12.32 C ATOM 282 OD1 ASP A 129 31.918 -12.589 -16.914 1.00 24.35 O ATOM 283 OD2 ASP A 129 32.299 -10.431 -16.744 1.00 35.33 O ATOM 0 H ASP A 129 29.768 -13.634 -16.455 1.00 10.20 H new ATOM 0 HA ASP A 129 28.102 -11.435 -16.812 1.00 52.41 H new ATOM 0 HB2 ASP A 129 29.959 -10.152 -15.997 1.00 4.31 H new ATOM 0 HB3 ASP A 129 30.010 -11.701 -15.180 1.00 4.31 H new ATOM 288 N ALA A 130 30.205 -11.935 -19.273 1.00 51.25 N ATOM 289 CA ALA A 130 30.545 -11.531 -20.632 1.00 55.02 C ATOM 290 C ALA A 130 29.368 -11.744 -21.578 1.00 52.45 C ATOM 291 O ALA A 130 29.391 -11.294 -22.724 1.00 42.13 O ATOM 292 CB ALA A 130 31.763 -12.299 -21.122 1.00 5.31 C ATOM 0 H ALA A 130 30.667 -12.788 -18.959 1.00 51.25 H new ATOM 0 HA ALA A 130 30.781 -10.467 -20.620 1.00 55.02 H new ATOM 0 HB1 ALA A 130 32.005 -11.987 -22.138 1.00 5.31 H new ATOM 0 HB2 ALA A 130 32.610 -12.094 -20.468 1.00 5.31 H new ATOM 0 HB3 ALA A 130 31.548 -13.367 -21.112 1.00 5.31 H new ATOM 298 N ASP A 131 28.341 -12.432 -21.092 1.00 51.14 N ATOM 299 CA ASP A 131 27.154 -12.704 -21.895 1.00 42.02 C ATOM 300 C ASP A 131 25.908 -12.116 -21.240 1.00 23.53 C ATOM 301 O ASP A 131 24.810 -12.189 -21.792 1.00 61.22 O ATOM 302 CB ASP A 131 26.980 -14.211 -22.092 1.00 12.31 C ATOM 303 CG ASP A 131 27.796 -14.741 -23.254 1.00 72.14 C ATOM 304 OD1 ASP A 131 28.811 -14.104 -23.607 1.00 31.23 O ATOM 305 OD2 ASP A 131 27.420 -15.793 -23.811 1.00 72.43 O ATOM 0 H ASP A 131 28.306 -12.812 -20.146 1.00 51.14 H new ATOM 0 HA ASP A 131 27.288 -12.232 -22.868 1.00 42.02 H new ATOM 0 HB2 ASP A 131 27.273 -14.730 -21.179 1.00 12.31 H new ATOM 0 HB3 ASP A 131 25.926 -14.433 -22.261 1.00 12.31 H new ATOM 310 N CYS A 132 26.086 -11.535 -20.058 1.00 72.21 N ATOM 311 CA CYS A 132 24.977 -10.936 -19.326 1.00 33.35 C ATOM 312 C CYS A 132 25.198 -9.439 -19.133 1.00 13.31 C ATOM 313 O CYS A 132 26.247 -9.011 -18.651 1.00 43.11 O ATOM 314 CB CYS A 132 24.809 -11.617 -17.966 1.00 23.42 C ATOM 315 SG CYS A 132 23.085 -11.705 -17.385 1.00 52.33 S ATOM 0 H CYS A 132 26.988 -11.467 -19.587 1.00 72.21 H new ATOM 0 HA CYS A 132 24.069 -11.079 -19.911 1.00 33.35 H new ATOM 0 HB2 CYS A 132 25.213 -12.628 -18.026 1.00 23.42 H new ATOM 0 HB3 CYS A 132 25.403 -11.079 -17.227 1.00 23.42 H new ATOM 320 N THR A 133 24.201 -8.645 -19.512 1.00 73.34 N ATOM 321 CA THR A 133 24.285 -7.196 -19.383 1.00 24.23 C ATOM 322 C THR A 133 23.062 -6.636 -18.666 1.00 3.13 C ATOM 323 O THR A 133 21.957 -7.168 -18.765 1.00 74.03 O ATOM 324 CB THR A 133 24.416 -6.516 -20.758 1.00 43.34 C ATOM 325 OG1 THR A 133 23.220 -6.715 -21.519 1.00 71.25 O ATOM 326 CG2 THR A 133 25.609 -7.069 -21.524 1.00 53.33 C ATOM 0 H THR A 133 23.325 -8.982 -19.911 1.00 73.34 H new ATOM 0 HA THR A 133 25.177 -6.983 -18.794 1.00 24.23 H new ATOM 0 HB THR A 133 24.570 -5.449 -20.598 1.00 43.34 H new ATOM 0 HG1 THR A 133 23.311 -6.278 -22.391 1.00 71.25 H new ATOM 0 HG21 THR A 133 25.681 -6.574 -22.492 1.00 53.33 H new ATOM 0 HG22 THR A 133 26.521 -6.889 -20.955 1.00 53.33 H new ATOM 0 HG23 THR A 133 25.480 -8.141 -21.674 1.00 53.33 H new ATOM 334 N PRO A 134 23.262 -5.535 -17.925 1.00 71.44 N ATOM 335 CA PRO A 134 22.186 -4.878 -17.178 1.00 73.10 C ATOM 336 C PRO A 134 21.175 -4.197 -18.095 1.00 23.12 C ATOM 337 O PRO A 134 21.212 -4.371 -19.312 1.00 54.42 O ATOM 338 CB PRO A 134 22.925 -3.839 -16.332 1.00 0.15 C ATOM 339 CG PRO A 134 24.178 -3.557 -17.087 1.00 30.34 C ATOM 340 CD PRO A 134 24.554 -4.847 -17.761 1.00 74.55 C ATOM 0 HA PRO A 134 21.604 -5.589 -16.592 1.00 73.10 H new ATOM 0 HB2 PRO A 134 22.328 -2.936 -16.204 1.00 0.15 H new ATOM 0 HB3 PRO A 134 23.141 -4.222 -15.335 1.00 0.15 H new ATOM 0 HG2 PRO A 134 24.022 -2.765 -17.819 1.00 30.34 H new ATOM 0 HG3 PRO A 134 24.970 -3.221 -16.418 1.00 30.34 H new ATOM 0 HD2 PRO A 134 25.041 -4.672 -18.720 1.00 74.55 H new ATOM 0 HD3 PRO A 134 25.246 -5.431 -17.154 1.00 74.55 H new ATOM 348 N GLY A 135 20.274 -3.421 -17.501 1.00 54.44 N ATOM 349 CA GLY A 135 19.266 -2.725 -18.280 1.00 41.05 C ATOM 350 C GLY A 135 17.932 -3.444 -18.278 1.00 31.55 C ATOM 351 O GLY A 135 17.200 -3.405 -17.289 1.00 12.13 O ATOM 0 H GLY A 135 20.224 -3.262 -16.495 1.00 54.44 H new ATOM 0 HA2 GLY A 135 19.134 -1.719 -17.881 1.00 41.05 H new ATOM 0 HA3 GLY A 135 19.615 -2.617 -19.307 1.00 41.05 H new ATOM 447 N GLY A 143 11.749 -5.729 -15.265 1.00 3.51 N ATOM 448 CA GLY A 143 12.674 -5.341 -14.216 1.00 65.50 C ATOM 449 C GLY A 143 13.920 -4.670 -14.760 1.00 54.31 C ATOM 450 O GLY A 143 14.005 -4.376 -15.953 1.00 13.35 O ATOM 0 HA2 GLY A 143 12.172 -4.663 -13.526 1.00 65.50 H new ATOM 0 HA3 GLY A 143 12.961 -6.223 -13.644 1.00 65.50 H new ATOM 454 N VAL A 144 14.889 -4.424 -13.884 1.00 33.21 N ATOM 455 CA VAL A 144 16.135 -3.782 -14.283 1.00 24.13 C ATOM 456 C VAL A 144 17.316 -4.735 -14.135 1.00 22.02 C ATOM 457 O VAL A 144 17.793 -4.982 -13.027 1.00 52.34 O ATOM 458 CB VAL A 144 16.405 -2.515 -13.450 1.00 43.43 C ATOM 459 CG1 VAL A 144 17.572 -1.732 -14.032 1.00 45.12 C ATOM 460 CG2 VAL A 144 15.156 -1.650 -13.377 1.00 41.43 C ATOM 0 H VAL A 144 14.835 -4.660 -12.893 1.00 33.21 H new ATOM 0 HA VAL A 144 16.026 -3.503 -15.331 1.00 24.13 H new ATOM 0 HB VAL A 144 16.670 -2.817 -12.437 1.00 43.43 H new ATOM 0 HG11 VAL A 144 17.748 -0.840 -13.430 1.00 45.12 H new ATOM 0 HG12 VAL A 144 18.466 -2.355 -14.028 1.00 45.12 H new ATOM 0 HG13 VAL A 144 17.339 -1.439 -15.056 1.00 45.12 H new ATOM 0 HG21 VAL A 144 15.365 -0.759 -12.785 1.00 41.43 H new ATOM 0 HG22 VAL A 144 14.858 -1.355 -14.383 1.00 41.43 H new ATOM 0 HG23 VAL A 144 14.349 -2.215 -12.911 1.00 41.43 H new ATOM 470 N ALA A 145 17.784 -5.268 -15.259 1.00 0.31 N ATOM 471 CA ALA A 145 18.911 -6.192 -15.255 1.00 42.11 C ATOM 472 C ALA A 145 20.128 -5.571 -14.578 1.00 1.32 C ATOM 473 O ALA A 145 20.410 -4.384 -14.750 1.00 60.30 O ATOM 474 CB ALA A 145 19.253 -6.613 -16.677 1.00 4.14 C ATOM 0 H ALA A 145 17.400 -5.075 -16.184 1.00 0.31 H new ATOM 0 HA ALA A 145 18.623 -7.075 -14.685 1.00 42.11 H new ATOM 0 HB1 ALA A 145 20.097 -7.303 -16.659 1.00 4.14 H new ATOM 0 HB2 ALA A 145 18.391 -7.105 -17.128 1.00 4.14 H new ATOM 0 HB3 ALA A 145 19.517 -5.733 -17.264 1.00 4.14 H new ATOM 480 N THR A 146 20.847 -6.380 -13.806 1.00 1.55 N ATOM 481 CA THR A 146 22.033 -5.909 -13.101 1.00 13.23 C ATOM 482 C THR A 146 23.302 -6.249 -13.872 1.00 65.05 C ATOM 483 O THR A 146 24.285 -5.510 -13.828 1.00 13.42 O ATOM 484 CB THR A 146 22.125 -6.517 -11.689 1.00 23.24 C ATOM 485 OG1 THR A 146 20.838 -6.497 -11.061 1.00 44.20 O ATOM 486 CG2 THR A 146 23.124 -5.752 -10.834 1.00 0.41 C ATOM 0 H THR A 146 20.629 -7.365 -13.653 1.00 1.55 H new ATOM 0 HA THR A 146 21.942 -4.826 -13.017 1.00 13.23 H new ATOM 0 HB THR A 146 22.466 -7.548 -11.784 1.00 23.24 H new ATOM 0 HG1 THR A 146 20.949 -6.416 -10.091 1.00 44.20 H new ATOM 0 HG21 THR A 146 23.172 -6.200 -9.841 1.00 0.41 H new ATOM 0 HG22 THR A 146 24.109 -5.795 -11.299 1.00 0.41 H new ATOM 0 HG23 THR A 146 22.808 -4.712 -10.748 1.00 0.41 H new ATOM 494 N GLY A 147 23.275 -7.374 -14.581 1.00 45.34 N ATOM 495 CA GLY A 147 24.431 -7.792 -15.354 1.00 12.42 C ATOM 496 C GLY A 147 25.202 -8.912 -14.684 1.00 12.42 C ATOM 497 O GLY A 147 25.737 -9.794 -15.355 1.00 51.02 O ATOM 0 H GLY A 147 22.474 -8.003 -14.634 1.00 45.34 H new ATOM 0 HA2 GLY A 147 24.105 -8.119 -16.341 1.00 12.42 H new ATOM 0 HA3 GLY A 147 25.092 -6.939 -15.503 1.00 12.42 H new ATOM 501 N ARG A 148 25.261 -8.876 -13.357 1.00 13.24 N ATOM 502 CA ARG A 148 25.975 -9.894 -12.596 1.00 32.11 C ATOM 503 C ARG A 148 25.180 -11.196 -12.551 1.00 23.10 C ATOM 504 O ARG A 148 24.024 -11.216 -12.128 1.00 70.10 O ATOM 505 CB ARG A 148 26.247 -9.401 -11.174 1.00 21.15 C ATOM 506 CG ARG A 148 27.546 -8.623 -11.037 1.00 31.53 C ATOM 507 CD ARG A 148 27.943 -8.454 -9.579 1.00 32.15 C ATOM 508 NE ARG A 148 28.759 -7.262 -9.368 1.00 42.54 N ATOM 509 CZ ARG A 148 29.437 -7.022 -8.251 1.00 60.44 C ATOM 510 NH1 ARG A 148 29.397 -7.889 -7.249 1.00 73.31 N ATOM 511 NH2 ARG A 148 30.158 -5.914 -8.136 1.00 33.35 N ATOM 0 H ARG A 148 24.823 -8.153 -12.787 1.00 13.24 H new ATOM 0 HA ARG A 148 26.925 -10.085 -13.095 1.00 32.11 H new ATOM 0 HB2 ARG A 148 25.419 -8.769 -10.853 1.00 21.15 H new ATOM 0 HB3 ARG A 148 26.274 -10.258 -10.500 1.00 21.15 H new ATOM 0 HG2 ARG A 148 28.340 -9.142 -11.574 1.00 31.53 H new ATOM 0 HG3 ARG A 148 27.435 -7.643 -11.501 1.00 31.53 H new ATOM 0 HD2 ARG A 148 27.045 -8.392 -8.964 1.00 32.15 H new ATOM 0 HD3 ARG A 148 28.495 -9.334 -9.249 1.00 32.15 H new ATOM 0 HE ARG A 148 28.812 -6.575 -10.120 1.00 42.54 H new ATOM 0 HH11 ARG A 148 28.845 -8.742 -7.335 1.00 73.31 H new ATOM 0 HH12 ARG A 148 29.918 -7.703 -6.392 1.00 73.31 H new ATOM 0 HH21 ARG A 148 30.192 -5.246 -8.906 1.00 33.35 H new ATOM 0 HH22 ARG A 148 30.678 -5.731 -7.278 1.00 33.35 H new ATOM 525 N CYS A 149 25.808 -12.282 -12.990 1.00 41.34 N ATOM 526 CA CYS A 149 25.161 -13.588 -13.002 1.00 11.01 C ATOM 527 C CYS A 149 25.627 -14.437 -11.823 1.00 5.45 C ATOM 528 O CYS A 149 26.782 -14.356 -11.404 1.00 44.10 O ATOM 529 CB CYS A 149 25.455 -14.315 -14.316 1.00 5.25 C ATOM 530 SG CYS A 149 24.425 -15.791 -14.596 1.00 4.03 S ATOM 0 H CYS A 149 26.765 -12.283 -13.342 1.00 41.34 H new ATOM 0 HA CYS A 149 24.086 -13.433 -12.913 1.00 11.01 H new ATOM 0 HB2 CYS A 149 25.309 -13.621 -15.143 1.00 5.25 H new ATOM 0 HB3 CYS A 149 26.504 -14.610 -14.329 1.00 5.25 H new ATOM 535 N VAL A 150 24.721 -15.251 -11.291 1.00 11.51 N ATOM 536 CA VAL A 150 25.039 -16.115 -10.161 1.00 70.41 C ATOM 537 C VAL A 150 24.225 -17.403 -10.209 1.00 32.44 C ATOM 538 O VAL A 150 23.089 -17.432 -10.683 1.00 62.25 O ATOM 539 CB VAL A 150 24.778 -15.405 -8.820 1.00 33.14 C ATOM 540 CG1 VAL A 150 25.537 -14.089 -8.755 1.00 43.23 C ATOM 541 CG2 VAL A 150 23.287 -15.180 -8.618 1.00 32.22 C ATOM 0 H VAL A 150 23.760 -15.330 -11.625 1.00 11.51 H new ATOM 0 HA VAL A 150 26.100 -16.355 -10.235 1.00 70.41 H new ATOM 0 HB VAL A 150 25.139 -16.045 -8.014 1.00 33.14 H new ATOM 0 HG11 VAL A 150 25.340 -13.602 -7.800 1.00 43.23 H new ATOM 0 HG12 VAL A 150 26.606 -14.280 -8.851 1.00 43.23 H new ATOM 0 HG13 VAL A 150 25.210 -13.440 -9.567 1.00 43.23 H new ATOM 0 HG21 VAL A 150 23.121 -14.677 -7.665 1.00 32.22 H new ATOM 0 HG22 VAL A 150 22.899 -14.561 -9.427 1.00 32.22 H new ATOM 0 HG23 VAL A 150 22.771 -16.140 -8.616 1.00 32.22 H new ATOM 551 N PRO A 151 24.817 -18.496 -9.705 1.00 34.54 N ATOM 552 CA PRO A 151 24.164 -19.809 -9.677 1.00 13.41 C ATOM 553 C PRO A 151 23.006 -19.859 -8.686 1.00 74.12 C ATOM 554 O PRO A 151 23.183 -20.236 -7.527 1.00 53.45 O ATOM 555 CB PRO A 151 25.285 -20.754 -9.237 1.00 51.53 C ATOM 556 CG PRO A 151 26.230 -19.891 -8.474 1.00 51.13 C ATOM 557 CD PRO A 151 26.169 -18.535 -9.122 1.00 74.43 C ATOM 0 HA PRO A 151 23.725 -20.066 -10.641 1.00 13.41 H new ATOM 0 HB2 PRO A 151 24.900 -21.564 -8.617 1.00 51.53 H new ATOM 0 HB3 PRO A 151 25.774 -21.215 -10.095 1.00 51.53 H new ATOM 0 HG2 PRO A 151 25.945 -19.834 -7.423 1.00 51.13 H new ATOM 0 HG3 PRO A 151 27.242 -20.295 -8.509 1.00 51.13 H new ATOM 0 HD2 PRO A 151 26.317 -17.736 -8.396 1.00 74.43 H new ATOM 0 HD3 PRO A 151 26.939 -18.419 -9.885 1.00 74.43 H new ATOM 565 N PHE A 152 21.820 -19.478 -9.149 1.00 53.14 N ATOM 566 CA PHE A 152 20.632 -19.479 -8.303 1.00 61.43 C ATOM 567 C PHE A 152 20.446 -20.836 -7.630 1.00 55.01 C ATOM 568 O PHE A 152 20.393 -20.931 -6.405 1.00 13.53 O ATOM 569 CB PHE A 152 19.391 -19.132 -9.129 1.00 24.12 C ATOM 570 CG PHE A 152 18.183 -18.820 -8.293 1.00 21.32 C ATOM 571 CD1 PHE A 152 17.532 -19.823 -7.592 1.00 11.30 C ATOM 572 CD2 PHE A 152 17.699 -17.525 -8.207 1.00 71.03 C ATOM 573 CE1 PHE A 152 16.419 -19.538 -6.823 1.00 24.53 C ATOM 574 CE2 PHE A 152 16.587 -17.235 -7.439 1.00 40.33 C ATOM 575 CZ PHE A 152 15.947 -18.243 -6.745 1.00 41.22 C ATOM 0 H PHE A 152 21.656 -19.165 -10.106 1.00 53.14 H new ATOM 0 HA PHE A 152 20.767 -18.724 -7.529 1.00 61.43 H new ATOM 0 HB2 PHE A 152 19.615 -18.275 -9.764 1.00 24.12 H new ATOM 0 HB3 PHE A 152 19.159 -19.967 -9.791 1.00 24.12 H new ATOM 0 HD1 PHE A 152 17.898 -20.838 -7.647 1.00 11.30 H new ATOM 0 HD2 PHE A 152 18.196 -16.733 -8.746 1.00 71.03 H new ATOM 0 HE1 PHE A 152 15.919 -20.328 -6.283 1.00 24.53 H new ATOM 0 HE2 PHE A 152 16.219 -16.221 -7.382 1.00 40.33 H new ATOM 0 HZ PHE A 152 15.079 -18.019 -6.143 1.00 41.22 H new ATOM 585 N ASN A 153 20.346 -21.884 -8.442 1.00 12.24 N ATOM 586 CA ASN A 153 20.164 -23.236 -7.925 1.00 51.35 C ATOM 587 C ASN A 153 21.436 -24.060 -8.098 1.00 43.32 C ATOM 588 O ASN A 153 22.492 -23.525 -8.435 1.00 60.23 O ATOM 589 CB ASN A 153 18.997 -23.923 -8.638 1.00 22.14 C ATOM 590 CG ASN A 153 18.087 -24.662 -7.676 1.00 23.35 C ATOM 591 OD1 ASN A 153 17.810 -25.849 -7.853 1.00 43.42 O ATOM 592 ND2 ASN A 153 17.617 -23.962 -6.650 1.00 25.24 N ATOM 0 H ASN A 153 20.388 -21.823 -9.459 1.00 12.24 H new ATOM 0 HA ASN A 153 19.940 -23.165 -6.861 1.00 51.35 H new ATOM 0 HB2 ASN A 153 18.417 -23.177 -9.182 1.00 22.14 H new ATOM 0 HB3 ASN A 153 19.387 -24.624 -9.376 1.00 22.14 H new ATOM 0 HD21 ASN A 153 17.000 -24.406 -5.970 1.00 25.24 H new ATOM 0 HD22 ASN A 153 17.873 -22.980 -6.542 1.00 25.24 H new ATOM 599 N GLU A 154 21.326 -25.364 -7.865 1.00 44.11 N ATOM 600 CA GLU A 154 22.468 -26.261 -7.995 1.00 25.22 C ATOM 601 C GLU A 154 22.815 -26.491 -9.463 1.00 25.41 C ATOM 602 O GLU A 154 23.929 -26.204 -9.901 1.00 24.01 O ATOM 603 CB GLU A 154 22.174 -27.599 -7.313 1.00 62.11 C ATOM 604 CG GLU A 154 22.023 -27.493 -5.805 1.00 34.40 C ATOM 605 CD GLU A 154 21.724 -28.830 -5.154 1.00 13.34 C ATOM 606 OE1 GLU A 154 20.555 -29.266 -5.203 1.00 70.43 O ATOM 607 OE2 GLU A 154 22.660 -29.439 -4.594 1.00 54.22 O ATOM 0 H GLU A 154 20.459 -25.822 -7.586 1.00 44.11 H new ATOM 0 HA GLU A 154 23.323 -25.793 -7.507 1.00 25.22 H new ATOM 0 HB2 GLU A 154 21.259 -28.018 -7.733 1.00 62.11 H new ATOM 0 HB3 GLU A 154 22.979 -28.298 -7.541 1.00 62.11 H new ATOM 0 HG2 GLU A 154 22.939 -27.083 -5.380 1.00 34.40 H new ATOM 0 HG3 GLU A 154 21.221 -26.792 -5.572 1.00 34.40 H new ATOM 614 N SER A 155 21.853 -27.012 -10.218 1.00 23.33 N ATOM 615 CA SER A 155 22.057 -27.286 -11.635 1.00 45.34 C ATOM 616 C SER A 155 21.433 -26.191 -12.495 1.00 44.32 C ATOM 617 O SER A 155 21.107 -26.411 -13.662 1.00 22.44 O ATOM 618 CB SER A 155 21.459 -28.644 -12.006 1.00 30.12 C ATOM 619 OG SER A 155 21.977 -29.672 -11.179 1.00 74.02 O ATOM 0 H SER A 155 20.924 -27.253 -9.872 1.00 23.33 H new ATOM 0 HA SER A 155 23.130 -27.306 -11.824 1.00 45.34 H new ATOM 0 HB2 SER A 155 20.374 -28.606 -11.908 1.00 30.12 H new ATOM 0 HB3 SER A 155 21.677 -28.868 -13.050 1.00 30.12 H new ATOM 0 HG SER A 155 21.578 -30.530 -11.435 1.00 74.02 H new ATOM 625 N VAL A 156 21.270 -25.008 -11.910 1.00 22.41 N ATOM 626 CA VAL A 156 20.686 -23.877 -12.621 1.00 64.41 C ATOM 627 C VAL A 156 21.327 -22.564 -12.186 1.00 22.43 C ATOM 628 O VAL A 156 21.783 -22.430 -11.050 1.00 42.50 O ATOM 629 CB VAL A 156 19.166 -23.795 -12.392 1.00 14.42 C ATOM 630 CG1 VAL A 156 18.544 -22.750 -13.306 1.00 13.12 C ATOM 631 CG2 VAL A 156 18.520 -25.155 -12.607 1.00 30.22 C ATOM 0 H VAL A 156 21.534 -24.808 -10.945 1.00 22.41 H new ATOM 0 HA VAL A 156 20.878 -24.037 -13.682 1.00 64.41 H new ATOM 0 HB VAL A 156 18.988 -23.493 -11.360 1.00 14.42 H new ATOM 0 HG11 VAL A 156 17.469 -22.706 -13.130 1.00 13.12 H new ATOM 0 HG12 VAL A 156 18.986 -21.775 -13.098 1.00 13.12 H new ATOM 0 HG13 VAL A 156 18.731 -23.019 -14.346 1.00 13.12 H new ATOM 0 HG21 VAL A 156 17.446 -25.078 -12.441 1.00 30.22 H new ATOM 0 HG22 VAL A 156 18.706 -25.489 -13.628 1.00 30.22 H new ATOM 0 HG23 VAL A 156 18.945 -25.874 -11.907 1.00 30.22 H new ATOM 641 N LYS A 157 21.358 -21.597 -13.096 1.00 64.21 N ATOM 642 CA LYS A 157 21.942 -20.292 -12.807 1.00 74.43 C ATOM 643 C LYS A 157 21.102 -19.174 -13.416 1.00 74.21 C ATOM 644 O LYS A 157 20.550 -19.321 -14.507 1.00 73.23 O ATOM 645 CB LYS A 157 23.373 -20.220 -13.345 1.00 34.22 C ATOM 646 CG LYS A 157 23.496 -20.630 -14.802 1.00 43.32 C ATOM 647 CD LYS A 157 24.950 -20.728 -15.232 1.00 64.51 C ATOM 648 CE LYS A 157 25.093 -21.476 -16.549 1.00 54.22 C ATOM 649 NZ LYS A 157 26.506 -21.857 -16.821 1.00 3.11 N ATOM 0 H LYS A 157 20.985 -21.692 -14.041 1.00 64.21 H new ATOM 0 HA LYS A 157 21.960 -20.161 -11.725 1.00 74.43 H new ATOM 0 HB2 LYS A 157 23.745 -19.202 -13.230 1.00 34.22 H new ATOM 0 HB3 LYS A 157 24.012 -20.863 -12.740 1.00 34.22 H new ATOM 0 HG2 LYS A 157 23.005 -21.591 -14.953 1.00 43.32 H new ATOM 0 HG3 LYS A 157 22.978 -19.905 -15.430 1.00 43.32 H new ATOM 0 HD2 LYS A 157 25.369 -19.727 -15.334 1.00 64.51 H new ATOM 0 HD3 LYS A 157 25.526 -21.237 -14.459 1.00 64.51 H new ATOM 0 HE2 LYS A 157 24.473 -22.372 -16.526 1.00 54.22 H new ATOM 0 HE3 LYS A 157 24.722 -20.853 -17.363 1.00 54.22 H new ATOM 0 HZ1 LYS A 157 26.560 -22.364 -17.727 1.00 3.11 H new ATOM 0 HZ2 LYS A 157 27.094 -21.000 -16.868 1.00 3.11 H new ATOM 0 HZ3 LYS A 157 26.853 -22.473 -16.058 1.00 3.11 H new ATOM 663 N THR A 158 21.009 -18.055 -12.705 1.00 3.22 N ATOM 664 CA THR A 158 20.237 -16.912 -13.175 1.00 43.31 C ATOM 665 C THR A 158 21.043 -15.622 -13.067 1.00 70.24 C ATOM 666 O THR A 158 22.159 -15.617 -12.547 1.00 11.13 O ATOM 667 CB THR A 158 18.927 -16.753 -12.380 1.00 64.23 C ATOM 668 OG1 THR A 158 19.217 -16.396 -11.024 1.00 63.03 O ATOM 669 CG2 THR A 158 18.118 -18.041 -12.409 1.00 12.21 C ATOM 0 H THR A 158 21.459 -17.916 -11.800 1.00 3.22 H new ATOM 0 HA THR A 158 19.998 -17.102 -14.221 1.00 43.31 H new ATOM 0 HB THR A 158 18.339 -15.962 -12.845 1.00 64.23 H new ATOM 0 HG1 THR A 158 18.396 -16.092 -10.583 1.00 63.03 H new ATOM 0 HG21 THR A 158 17.197 -17.905 -11.841 1.00 12.21 H new ATOM 0 HG22 THR A 158 17.874 -18.294 -13.441 1.00 12.21 H new ATOM 0 HG23 THR A 158 18.702 -18.848 -11.966 1.00 12.21 H new ATOM 677 N CYS A 159 20.471 -14.530 -13.562 1.00 50.50 N ATOM 678 CA CYS A 159 21.136 -13.233 -13.521 1.00 54.44 C ATOM 679 C CYS A 159 20.423 -12.286 -12.559 1.00 65.41 C ATOM 680 O CYS A 159 19.222 -12.412 -12.326 1.00 31.04 O ATOM 681 CB CYS A 159 21.181 -12.615 -14.921 1.00 22.44 C ATOM 682 SG CYS A 159 22.865 -12.312 -15.545 1.00 24.00 S ATOM 0 H CYS A 159 19.548 -14.517 -13.996 1.00 50.50 H new ATOM 0 HA CYS A 159 22.155 -13.386 -13.165 1.00 54.44 H new ATOM 0 HB2 CYS A 159 20.661 -13.275 -15.615 1.00 22.44 H new ATOM 0 HB3 CYS A 159 20.634 -11.672 -14.908 1.00 22.44 H new ATOM 687 N GLU A 160 21.174 -11.340 -12.004 1.00 43.25 N ATOM 688 CA GLU A 160 20.615 -10.373 -11.067 1.00 75.03 C ATOM 689 C GLU A 160 19.741 -9.354 -11.794 1.00 2.04 C ATOM 690 O GLU A 160 20.111 -8.844 -12.851 1.00 63.23 O ATOM 691 CB GLU A 160 21.734 -9.655 -10.312 1.00 3.35 C ATOM 692 CG GLU A 160 21.923 -10.150 -8.888 1.00 21.53 C ATOM 693 CD GLU A 160 22.958 -11.254 -8.787 1.00 5.35 C ATOM 694 OE1 GLU A 160 22.733 -12.335 -9.369 1.00 44.34 O ATOM 695 OE2 GLU A 160 23.994 -11.035 -8.124 1.00 65.10 O ATOM 0 H GLU A 160 22.171 -11.223 -12.187 1.00 43.25 H new ATOM 0 HA GLU A 160 19.995 -10.914 -10.353 1.00 75.03 H new ATOM 0 HB2 GLU A 160 22.669 -9.781 -10.859 1.00 3.35 H new ATOM 0 HB3 GLU A 160 21.519 -8.587 -10.291 1.00 3.35 H new ATOM 0 HG2 GLU A 160 22.224 -9.316 -8.254 1.00 21.53 H new ATOM 0 HG3 GLU A 160 20.970 -10.514 -8.504 1.00 21.53 H new ATOM 702 N VAL A 161 18.579 -9.062 -11.218 1.00 60.31 N ATOM 703 CA VAL A 161 17.652 -8.104 -11.809 1.00 63.31 C ATOM 704 C VAL A 161 16.856 -7.375 -10.733 1.00 52.32 C ATOM 705 O VAL A 161 16.745 -7.846 -9.602 1.00 2.23 O ATOM 706 CB VAL A 161 16.674 -8.794 -12.778 1.00 34.43 C ATOM 707 CG1 VAL A 161 17.434 -9.572 -13.841 1.00 32.30 C ATOM 708 CG2 VAL A 161 15.724 -9.706 -12.015 1.00 61.12 C ATOM 0 H VAL A 161 18.257 -9.475 -10.343 1.00 60.31 H new ATOM 0 HA VAL A 161 18.252 -7.383 -12.364 1.00 63.31 H new ATOM 0 HB VAL A 161 16.083 -8.027 -13.278 1.00 34.43 H new ATOM 0 HG11 VAL A 161 16.726 -10.052 -14.516 1.00 32.30 H new ATOM 0 HG12 VAL A 161 18.069 -8.890 -14.407 1.00 32.30 H new ATOM 0 HG13 VAL A 161 18.052 -10.332 -13.363 1.00 32.30 H new ATOM 0 HG21 VAL A 161 15.040 -10.186 -12.715 1.00 61.12 H new ATOM 0 HG22 VAL A 161 16.297 -10.468 -11.487 1.00 61.12 H new ATOM 0 HG23 VAL A 161 15.154 -9.118 -11.296 1.00 61.12 H new ATOM 718 N ALA A 162 16.302 -6.222 -11.094 1.00 51.14 N ATOM 719 CA ALA A 162 15.513 -5.428 -10.161 1.00 11.22 C ATOM 720 C ALA A 162 14.020 -5.601 -10.418 1.00 31.42 C ATOM 721 O ALA A 162 13.504 -5.171 -11.448 1.00 53.55 O ATOM 722 CB ALA A 162 15.900 -3.960 -10.258 1.00 41.34 C ATOM 0 H ALA A 162 16.385 -5.817 -12.027 1.00 51.14 H new ATOM 0 HA ALA A 162 15.725 -5.783 -9.152 1.00 11.22 H new ATOM 0 HB1 ALA A 162 15.303 -3.379 -9.555 1.00 41.34 H new ATOM 0 HB2 ALA A 162 16.957 -3.846 -10.017 1.00 41.34 H new ATOM 0 HB3 ALA A 162 15.718 -3.602 -11.271 1.00 41.34 H new ATOM 728 N ALA A 163 13.332 -6.236 -9.474 1.00 55.34 N ATOM 729 CA ALA A 163 11.897 -6.465 -9.599 1.00 4.13 C ATOM 730 C ALA A 163 11.235 -6.555 -8.228 1.00 41.11 C ATOM 731 O ALA A 163 11.873 -6.313 -7.203 1.00 72.23 O ATOM 732 CB ALA A 163 11.633 -7.732 -10.399 1.00 52.51 C ATOM 0 H ALA A 163 13.745 -6.601 -8.615 1.00 55.34 H new ATOM 0 HA ALA A 163 11.463 -5.617 -10.129 1.00 4.13 H new ATOM 0 HB1 ALA A 163 10.558 -7.891 -10.485 1.00 52.51 H new ATOM 0 HB2 ALA A 163 12.065 -7.630 -11.394 1.00 52.51 H new ATOM 0 HB3 ALA A 163 12.086 -8.584 -9.892 1.00 52.51 H new ATOM 738 N TRP A 164 9.953 -6.903 -8.218 1.00 5.24 N ATOM 739 CA TRP A 164 9.205 -7.024 -6.972 1.00 13.33 C ATOM 740 C TRP A 164 9.538 -8.331 -6.261 1.00 11.20 C ATOM 741 O TRP A 164 9.090 -9.403 -6.670 1.00 3.25 O ATOM 742 CB TRP A 164 7.702 -6.947 -7.246 1.00 40.23 C ATOM 743 CG TRP A 164 7.322 -5.819 -8.158 1.00 33.51 C ATOM 744 CD1 TRP A 164 7.056 -5.901 -9.495 1.00 44.41 C ATOM 745 CD2 TRP A 164 7.166 -4.442 -7.799 1.00 24.21 C ATOM 746 NE1 TRP A 164 6.746 -4.657 -9.989 1.00 54.40 N ATOM 747 CE2 TRP A 164 6.805 -3.745 -8.968 1.00 61.04 C ATOM 748 CE3 TRP A 164 7.295 -3.730 -6.603 1.00 63.43 C ATOM 749 CZ2 TRP A 164 6.573 -2.372 -8.975 1.00 24.24 C ATOM 750 CZ3 TRP A 164 7.065 -2.368 -6.611 1.00 43.12 C ATOM 751 CH2 TRP A 164 6.707 -1.700 -7.790 1.00 31.41 C ATOM 0 H TRP A 164 9.411 -7.106 -9.058 1.00 5.24 H new ATOM 0 HA TRP A 164 9.492 -6.196 -6.323 1.00 13.33 H new ATOM 0 HB2 TRP A 164 7.371 -7.888 -7.686 1.00 40.23 H new ATOM 0 HB3 TRP A 164 7.173 -6.834 -6.300 1.00 40.23 H new ATOM 0 HD1 TRP A 164 7.085 -6.810 -10.078 1.00 44.41 H new ATOM 0 HE1 TRP A 164 6.510 -4.446 -10.959 1.00 54.40 H new ATOM 0 HE3 TRP A 164 7.570 -4.236 -5.689 1.00 63.43 H new ATOM 0 HZ2 TRP A 164 6.297 -1.856 -9.883 1.00 24.24 H new ATOM 0 HZ3 TRP A 164 7.163 -1.808 -5.693 1.00 43.12 H new ATOM 0 HH2 TRP A 164 6.533 -0.634 -7.763 1.00 31.41 H new ATOM 762 N CYS A 165 10.326 -8.236 -5.195 1.00 51.33 N ATOM 763 CA CYS A 165 10.719 -9.411 -4.427 1.00 44.33 C ATOM 764 C CYS A 165 10.149 -9.352 -3.013 1.00 72.52 C ATOM 765 O CYS A 165 9.765 -8.294 -2.515 1.00 21.11 O ATOM 766 CB CYS A 165 12.244 -9.521 -4.370 1.00 3.14 C ATOM 767 SG CYS A 165 12.950 -10.705 -5.560 1.00 72.24 S ATOM 0 H CYS A 165 10.705 -7.357 -4.843 1.00 51.33 H new ATOM 0 HA CYS A 165 10.316 -10.292 -4.926 1.00 44.33 H new ATOM 0 HB2 CYS A 165 12.675 -8.537 -4.554 1.00 3.14 H new ATOM 0 HB3 CYS A 165 12.539 -9.815 -3.363 1.00 3.14 H new