USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 343 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 Set 1.1: A1172 ASN : amide:sc= -3.26! C(o=-2.7!,f=-6.6!) USER MOD Set 1.2: A1185 LYS NZ :NH3+ -165:sc= 0.523 (180deg=-0.129) USER MOD Set 1.3: A1187 GLN : amide:sc= 0 K(o=-2.7,f=-4) USER MOD Set 1.4: A1190 LYS NZ :NH3+ -154:sc=-0.00589 (180deg=-0.302) USER MOD Set 2.1: A1167 CYS SG : rot -73:sc= 1.04 USER MOD Set 2.2: A1170 CYS SG : rot -63:sc= 1.77 USER MOD Set 2.3: A1173 CYS SG : rot -49:sc= -2.47! USER MOD Set 2.4: A1189 CYS SG : rot -150:sc= 0.861 USER MOD Set 3.1: A1155 CYS SG : rot -53:sc= -0.258 USER MOD Set 3.2: A1158 CYS SG : rot -65:sc= 0.193 USER MOD Set 3.3: A1161 CYS SG : rot -10:sc= -1.83! USER MOD Set 3.4: A1194 CYS SG : rot 22:sc= 0.367 USER MOD Single : A1157 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.67) USER MOD Single : A1162 GLN : amide:sc= 0.639 K(o=0.64,f=-0.07) USER MOD Single : A1171 THR OG1 : rot -171:sc= -2.22! USER MOD Single : A1176 LYS NZ :NH3+ -119:sc= 0.00112 (180deg=-0.549) USER MOD Single : A1178 LYS NZ :NH3+ 171:sc= -0.0645 (180deg=-0.23) USER MOD Single : A1183 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.7!) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1188 CYS SG : rot 180:sc= 0 USER MOD Single : A1191 MET CE :methyl -130:sc= -0.0288 (180deg=-2.06!) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A1196 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -5.961 3.098 -12.797 1.00 33.42 N ATOM 112 CA ARG A1153 -7.130 3.788 -12.242 1.00 41.43 C ATOM 113 C ARG A1153 -8.206 2.819 -11.743 1.00 11.15 C ATOM 114 O ARG A1153 -8.446 1.775 -12.354 1.00 31.14 O ATOM 115 CB ARG A1153 -7.747 4.677 -13.327 1.00 14.30 C ATOM 116 CG ARG A1153 -7.474 6.162 -13.137 1.00 73.14 C ATOM 117 CD ARG A1153 -6.109 6.556 -13.681 1.00 1.24 C ATOM 118 NE ARG A1153 -5.221 7.061 -12.631 1.00 23.40 N ATOM 119 CZ ARG A1153 -4.311 8.025 -12.812 1.00 2.31 C ATOM 120 NH1 ARG A1153 -4.147 8.592 -14.005 1.00 44.11 N ATOM 121 NH2 ARG A1153 -3.557 8.424 -11.791 1.00 74.32 N ATOM 0 HA ARG A1153 -6.785 4.374 -11.390 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -7.361 4.368 -14.299 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -8.825 4.515 -13.346 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -8.248 6.742 -13.640 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -7.529 6.410 -12.077 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -5.648 5.693 -14.161 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -6.232 7.320 -14.449 1.00 1.24 H new ATOM 0 HE ARG A1153 -5.302 6.651 -11.701 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -4.719 8.293 -14.795 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -3.450 9.326 -14.129 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -3.673 7.995 -10.873 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -2.863 9.159 -11.926 1.00 74.32 H new ATOM 135 N ARG A1154 -8.862 3.179 -10.636 1.00 52.40 N ATOM 136 CA ARG A1154 -9.931 2.350 -10.063 1.00 62.14 C ATOM 137 C ARG A1154 -11.127 2.287 -11.020 1.00 30.30 C ATOM 138 O ARG A1154 -11.543 3.312 -11.565 1.00 74.42 O ATOM 139 CB ARG A1154 -10.413 2.893 -8.700 1.00 45.41 C ATOM 140 CG ARG A1154 -9.421 3.776 -7.952 1.00 23.13 C ATOM 141 CD ARG A1154 -8.174 3.010 -7.540 1.00 3.20 C ATOM 142 NE ARG A1154 -7.062 3.909 -7.229 1.00 15.22 N ATOM 143 CZ ARG A1154 -6.026 4.141 -8.044 1.00 23.13 C ATOM 144 NH1 ARG A1154 -5.934 3.530 -9.222 1.00 2.55 N ATOM 145 NH2 ARG A1154 -5.069 4.986 -7.673 1.00 40.44 N ATOM 0 H ARG A1154 -8.673 4.037 -10.118 1.00 52.40 H new ATOM 0 HA ARG A1154 -9.516 1.353 -9.913 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -11.329 3.462 -8.860 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -10.670 2.047 -8.063 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -9.137 4.618 -8.584 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -9.901 4.190 -7.066 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -8.397 2.393 -6.669 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -7.881 2.334 -8.343 1.00 3.20 H new ATOM 0 HE ARG A1154 -7.077 4.391 -6.330 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -6.659 2.875 -9.515 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -5.139 3.717 -9.833 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -5.125 5.456 -6.769 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -4.278 5.165 -8.292 1.00 40.44 H new ATOM 159 N CYS A1155 -11.673 1.084 -11.228 1.00 23.05 N ATOM 160 CA CYS A1155 -12.817 0.888 -12.124 1.00 1.11 C ATOM 161 C CYS A1155 -14.066 1.627 -11.641 1.00 10.20 C ATOM 162 O CYS A1155 -14.749 2.274 -12.435 1.00 75.34 O ATOM 163 CB CYS A1155 -13.131 -0.603 -12.284 1.00 33.23 C ATOM 164 SG CYS A1155 -13.420 -1.483 -10.736 1.00 53.42 S ATOM 0 H CYS A1155 -11.339 0.228 -10.785 1.00 23.05 H new ATOM 0 HA CYS A1155 -12.534 1.306 -13.090 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.013 -0.709 -12.916 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.303 -1.080 -12.808 1.00 33.23 H new ATOM 0 HG CYS A1155 -12.419 -1.285 -9.931 1.00 53.42 H new ATOM 169 N GLY A1156 -14.367 1.526 -10.342 1.00 23.42 N ATOM 170 CA GLY A1156 -15.538 2.191 -9.791 1.00 72.43 C ATOM 171 C GLY A1156 -16.737 1.266 -9.611 1.00 43.32 C ATOM 172 O GLY A1156 -17.761 1.686 -9.068 1.00 3.12 O ATOM 0 H GLY A1156 -13.819 0.995 -9.665 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.278 2.627 -8.826 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -15.820 3.014 -10.447 1.00 72.43 H new ATOM 176 N GLN A1157 -16.627 0.016 -10.078 1.00 34.13 N ATOM 177 CA GLN A1157 -17.734 -0.943 -9.969 1.00 5.23 C ATOM 178 C GLN A1157 -17.367 -2.195 -9.157 1.00 54.32 C ATOM 179 O GLN A1157 -18.257 -2.945 -8.751 1.00 24.22 O ATOM 180 CB GLN A1157 -18.212 -1.357 -11.364 1.00 1.14 C ATOM 181 CG GLN A1157 -18.836 -0.220 -12.160 1.00 4.15 C ATOM 182 CD GLN A1157 -17.801 0.699 -12.789 1.00 45.04 C ATOM 183 OE1 GLN A1157 -17.750 1.890 -12.487 1.00 51.54 O ATOM 184 NE2 GLN A1157 -16.969 0.147 -13.667 1.00 12.22 N ATOM 0 H GLN A1157 -15.791 -0.353 -10.531 1.00 34.13 H new ATOM 0 HA GLN A1157 -18.535 -0.435 -9.432 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -17.367 -1.759 -11.923 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -18.941 -2.162 -11.265 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -19.469 -0.636 -12.944 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -19.482 0.364 -11.505 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -17.046 -0.846 -13.889 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -16.253 0.716 -14.119 1.00 12.22 H new ATOM 193 N CYS A1158 -16.072 -2.428 -8.927 1.00 21.34 N ATOM 194 CA CYS A1158 -15.633 -3.605 -8.171 1.00 11.34 C ATOM 195 C CYS A1158 -15.922 -3.449 -6.676 1.00 1.24 C ATOM 196 O CYS A1158 -16.003 -2.331 -6.167 1.00 10.22 O ATOM 197 CB CYS A1158 -14.140 -3.866 -8.399 1.00 53.42 C ATOM 198 SG CYS A1158 -13.044 -2.732 -7.517 1.00 41.45 S ATOM 0 H CYS A1158 -15.316 -1.824 -9.249 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.200 -4.462 -8.535 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -13.911 -4.887 -8.093 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -13.930 -3.799 -9.467 1.00 53.42 H new ATOM 0 HG CYS A1158 -13.203 -1.527 -7.979 1.00 41.45 H new ATOM 203 N PRO A1159 -16.090 -4.579 -5.954 1.00 13.34 N ATOM 204 CA PRO A1159 -16.381 -4.573 -4.511 1.00 52.32 C ATOM 205 C PRO A1159 -15.329 -3.825 -3.688 1.00 10.44 C ATOM 206 O PRO A1159 -15.652 -3.222 -2.664 1.00 34.34 O ATOM 207 CB PRO A1159 -16.402 -6.057 -4.134 1.00 33.14 C ATOM 208 CG PRO A1159 -16.666 -6.774 -5.413 1.00 53.42 C ATOM 209 CD PRO A1159 -16.018 -5.952 -6.490 1.00 42.13 C ATOM 0 HA PRO A1159 -17.316 -4.053 -4.300 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.453 -6.367 -3.696 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -17.177 -6.266 -3.397 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -16.251 -7.782 -5.388 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -17.737 -6.875 -5.590 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -14.988 -6.261 -6.668 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.547 -6.042 -7.439 1.00 42.13 H new ATOM 217 N GLY A1160 -14.076 -3.843 -4.156 1.00 75.21 N ATOM 218 CA GLY A1160 -13.012 -3.134 -3.462 1.00 43.32 C ATOM 219 C GLY A1160 -13.172 -1.627 -3.586 1.00 4.10 C ATOM 220 O GLY A1160 -12.886 -0.883 -2.648 1.00 54.55 O ATOM 0 H GLY A1160 -13.783 -4.335 -5.000 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -13.013 -3.415 -2.409 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -12.047 -3.433 -3.871 1.00 43.32 H new ATOM 224 N CYS A1161 -13.660 -1.189 -4.749 1.00 41.14 N ATOM 225 CA CYS A1161 -13.901 0.227 -5.022 1.00 54.42 C ATOM 226 C CYS A1161 -15.095 0.748 -4.218 1.00 32.30 C ATOM 227 O CYS A1161 -15.228 1.955 -4.008 1.00 53.41 O ATOM 228 CB CYS A1161 -14.136 0.456 -6.518 1.00 63.34 C ATOM 229 SG CYS A1161 -12.622 0.733 -7.466 1.00 42.02 S ATOM 0 H CYS A1161 -13.898 -1.806 -5.526 1.00 41.14 H new ATOM 0 HA CYS A1161 -13.013 0.780 -4.716 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -14.657 -0.408 -6.930 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -14.794 1.316 -6.645 1.00 63.34 H new ATOM 0 HG CYS A1161 -11.623 0.896 -6.650 1.00 42.02 H new ATOM 234 N GLN A1162 -15.966 -0.168 -3.775 1.00 33.23 N ATOM 235 CA GLN A1162 -17.152 0.195 -3.003 1.00 41.33 C ATOM 236 C GLN A1162 -16.809 0.476 -1.538 1.00 43.34 C ATOM 237 O GLN A1162 -17.583 1.142 -0.850 1.00 22.15 O ATOM 238 CB GLN A1162 -18.207 -0.917 -3.079 1.00 63.42 C ATOM 239 CG GLN A1162 -18.568 -1.339 -4.498 1.00 70.05 C ATOM 240 CD GLN A1162 -18.734 -0.162 -5.444 1.00 21.00 C ATOM 241 OE1 GLN A1162 -19.697 0.598 -5.344 1.00 64.12 O ATOM 242 NE2 GLN A1162 -17.794 -0.007 -6.373 1.00 3.02 N ATOM 0 H GLN A1162 -15.867 -1.169 -3.941 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.555 1.108 -3.441 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -17.841 -1.788 -2.535 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -19.111 -0.580 -2.571 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -17.792 -2.000 -4.883 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -19.494 -1.913 -4.476 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -17.012 -0.660 -6.421 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -17.856 0.765 -7.037 1.00 3.02 H new ATOM 251 N VAL A1163 -15.641 0.017 -1.066 1.00 50.22 N ATOM 252 CA VAL A1163 -15.228 0.292 0.308 1.00 63.43 C ATOM 253 C VAL A1163 -14.743 1.742 0.383 1.00 1.44 C ATOM 254 O VAL A1163 -13.741 2.101 -0.240 1.00 23.11 O ATOM 255 CB VAL A1163 -14.132 -0.688 0.796 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.503 -0.222 2.100 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.711 -2.083 0.961 1.00 45.33 C ATOM 0 H VAL A1163 -14.979 -0.537 -1.609 1.00 50.22 H new ATOM 0 HA VAL A1163 -16.081 0.147 0.971 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.348 -0.712 0.040 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.739 -0.935 2.411 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -13.048 0.758 1.955 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -14.271 -0.154 2.871 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -13.931 -2.762 1.304 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.518 -2.058 1.693 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -15.100 -2.431 0.004 1.00 45.33 H new ATOM 267 N PRO A1164 -15.488 2.609 1.098 1.00 71.44 N ATOM 268 CA PRO A1164 -15.169 4.040 1.193 1.00 13.33 C ATOM 269 C PRO A1164 -14.090 4.404 2.213 1.00 5.30 C ATOM 270 O PRO A1164 -13.594 5.533 2.198 1.00 5.32 O ATOM 271 CB PRO A1164 -16.507 4.650 1.606 1.00 15.33 C ATOM 272 CG PRO A1164 -17.165 3.590 2.419 1.00 1.11 C ATOM 273 CD PRO A1164 -16.732 2.276 1.825 1.00 3.53 C ATOM 0 HA PRO A1164 -14.752 4.402 0.253 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -16.365 5.563 2.184 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -17.108 4.914 0.736 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -16.868 3.661 3.465 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -18.250 3.693 2.388 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.556 1.527 2.597 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.490 1.871 1.155 1.00 3.53 H new ATOM 281 N GLU A1165 -13.730 3.483 3.111 1.00 65.22 N ATOM 282 CA GLU A1165 -12.719 3.796 4.119 1.00 11.42 C ATOM 283 C GLU A1165 -11.845 2.597 4.477 1.00 40.05 C ATOM 284 O GLU A1165 -12.294 1.449 4.459 1.00 72.02 O ATOM 285 CB GLU A1165 -13.383 4.341 5.383 1.00 54.32 C ATOM 286 CG GLU A1165 -14.438 3.414 5.951 1.00 74.44 C ATOM 287 CD GLU A1165 -13.974 2.693 7.202 1.00 4.32 C ATOM 288 OE1 GLU A1165 -13.956 3.324 8.281 1.00 4.11 O ATOM 289 OE2 GLU A1165 -13.626 1.497 7.106 1.00 55.43 O ATOM 0 H GLU A1165 -14.113 2.539 3.160 1.00 65.22 H new ATOM 0 HA GLU A1165 -12.068 4.553 3.681 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -12.619 4.518 6.140 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -13.839 5.305 5.159 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -15.335 3.989 6.180 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -14.715 2.679 5.195 1.00 74.44 H new ATOM 296 N ASP A1166 -10.595 2.899 4.829 1.00 52.42 N ATOM 297 CA ASP A1166 -9.620 1.895 5.234 1.00 54.32 C ATOM 298 C ASP A1166 -10.138 1.093 6.425 1.00 24.20 C ATOM 299 O ASP A1166 -10.613 1.664 7.411 1.00 4.45 O ATOM 300 CB ASP A1166 -8.298 2.575 5.610 1.00 42.32 C ATOM 301 CG ASP A1166 -7.578 3.172 4.413 1.00 32.30 C ATOM 302 OD1 ASP A1166 -8.079 4.170 3.853 1.00 1.41 O ATOM 303 OD2 ASP A1166 -6.512 2.642 4.035 1.00 11.20 O ATOM 0 H ASP A1166 -10.232 3.852 4.840 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.456 1.216 4.398 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -8.494 3.362 6.339 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.646 1.848 6.094 1.00 42.32 H new ATOM 308 N CYS A1167 -10.033 -0.232 6.328 1.00 33.35 N ATOM 309 CA CYS A1167 -10.480 -1.121 7.399 1.00 12.51 C ATOM 310 C CYS A1167 -9.741 -0.821 8.706 1.00 3.00 C ATOM 311 O CYS A1167 -10.324 -0.887 9.791 1.00 75.13 O ATOM 312 CB CYS A1167 -10.307 -2.592 7.003 1.00 20.21 C ATOM 313 SG CYS A1167 -8.607 -3.080 6.641 1.00 63.11 S ATOM 0 H CYS A1167 -9.642 -0.713 5.518 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.542 -0.938 7.561 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -10.687 -3.219 7.810 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -10.923 -2.793 6.127 1.00 20.21 H new ATOM 0 HG CYS A1167 -8.247 -2.581 5.496 1.00 63.11 H new ATOM 318 N GLY A1168 -8.456 -0.472 8.582 1.00 61.35 N ATOM 319 CA GLY A1168 -7.645 -0.139 9.740 1.00 61.11 C ATOM 320 C GLY A1168 -6.975 -1.333 10.405 1.00 41.43 C ATOM 321 O GLY A1168 -6.239 -1.156 11.377 1.00 11.55 O ATOM 0 H GLY A1168 -7.963 -0.415 7.691 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -6.876 0.571 9.437 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.273 0.365 10.475 1.00 61.11 H new ATOM 325 N VAL A1169 -7.232 -2.547 9.910 1.00 5.14 N ATOM 326 CA VAL A1169 -6.642 -3.745 10.510 1.00 10.32 C ATOM 327 C VAL A1169 -5.683 -4.490 9.570 1.00 1.33 C ATOM 328 O VAL A1169 -4.853 -5.275 10.033 1.00 0.21 O ATOM 329 CB VAL A1169 -7.727 -4.726 11.006 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.473 -4.143 12.196 1.00 64.11 C ATOM 331 CG2 VAL A1169 -8.694 -5.080 9.883 1.00 34.30 C ATOM 0 H VAL A1169 -7.836 -2.725 9.107 1.00 5.14 H new ATOM 0 HA VAL A1169 -6.061 -3.380 11.357 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.234 -5.643 11.328 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -9.233 -4.849 12.531 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -7.771 -3.954 13.008 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -8.950 -3.208 11.903 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.449 -5.772 10.257 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -9.180 -4.174 9.522 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -8.146 -5.548 9.065 1.00 34.30 H new ATOM 341 N CYS A1170 -5.790 -4.246 8.258 1.00 31.54 N ATOM 342 CA CYS A1170 -4.922 -4.905 7.286 1.00 20.33 C ATOM 343 C CYS A1170 -3.513 -4.316 7.332 1.00 31.20 C ATOM 344 O CYS A1170 -3.319 -3.157 7.700 1.00 41.54 O ATOM 345 CB CYS A1170 -5.510 -4.806 5.872 1.00 20.04 C ATOM 346 SG CYS A1170 -5.292 -3.200 5.079 1.00 33.30 S ATOM 0 H CYS A1170 -6.466 -3.600 7.851 1.00 31.54 H new ATOM 0 HA CYS A1170 -4.857 -5.960 7.550 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -5.049 -5.571 5.247 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -6.575 -5.032 5.919 1.00 20.04 H new ATOM 0 HG CYS A1170 -5.926 -2.291 5.758 1.00 33.30 H new ATOM 351 N THR A1171 -2.542 -5.138 6.961 1.00 13.53 N ATOM 352 CA THR A1171 -1.129 -4.742 6.958 1.00 51.14 C ATOM 353 C THR A1171 -0.859 -3.483 6.122 1.00 25.34 C ATOM 354 O THR A1171 0.089 -2.751 6.407 1.00 45.43 O ATOM 355 CB THR A1171 -0.246 -5.892 6.459 1.00 43.21 C ATOM 356 OG1 THR A1171 1.129 -5.563 6.573 1.00 64.41 O ATOM 357 CG2 THR A1171 -0.521 -6.280 5.024 1.00 25.44 C ATOM 0 H THR A1171 -2.704 -6.097 6.653 1.00 13.53 H new ATOM 0 HA THR A1171 -0.878 -4.504 7.992 1.00 51.14 H new ATOM 0 HB THR A1171 -0.494 -6.741 7.095 1.00 43.21 H new ATOM 0 HG1 THR A1171 1.667 -6.246 6.121 1.00 64.41 H new ATOM 0 HG21 THR A1171 0.138 -7.099 4.736 1.00 25.44 H new ATOM 0 HG22 THR A1171 -1.559 -6.598 4.926 1.00 25.44 H new ATOM 0 HG23 THR A1171 -0.341 -5.423 4.375 1.00 25.44 H new ATOM 365 N ASN A1172 -1.681 -3.225 5.098 1.00 64.24 N ATOM 366 CA ASN A1172 -1.486 -2.042 4.256 1.00 51.03 C ATOM 367 C ASN A1172 -1.909 -0.785 5.010 1.00 13.52 C ATOM 368 O ASN A1172 -1.208 0.226 4.993 1.00 4.51 O ATOM 369 CB ASN A1172 -2.267 -2.169 2.942 1.00 22.23 C ATOM 370 CG ASN A1172 -1.386 -2.596 1.780 1.00 72.54 C ATOM 371 OD1 ASN A1172 -0.161 -2.467 1.831 1.00 70.45 O ATOM 372 ND2 ASN A1172 -2.004 -3.108 0.721 1.00 72.54 N ATOM 0 H ASN A1172 -2.475 -3.810 4.836 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.427 -1.966 4.011 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -3.071 -2.894 3.070 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -2.734 -1.213 2.707 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -1.462 -3.411 -0.089 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -3.020 -3.198 0.718 1.00 72.54 H new ATOM 379 N CYS A1173 -3.044 -0.866 5.699 1.00 72.10 N ATOM 380 CA CYS A1173 -3.543 0.249 6.494 1.00 51.15 C ATOM 381 C CYS A1173 -2.596 0.514 7.654 1.00 32.02 C ATOM 382 O CYS A1173 -2.217 1.656 7.903 1.00 1.11 O ATOM 383 CB CYS A1173 -4.942 -0.062 7.032 1.00 10.14 C ATOM 384 SG CYS A1173 -6.249 0.054 5.792 1.00 43.23 S ATOM 0 H CYS A1173 -3.636 -1.696 5.722 1.00 72.10 H new ATOM 0 HA CYS A1173 -3.600 1.134 5.860 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -4.943 -1.068 7.453 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -5.167 0.625 7.848 1.00 10.14 H new ATOM 0 HG CYS A1173 -6.134 1.175 5.144 1.00 43.23 H new ATOM 389 N LEU A1174 -2.194 -0.555 8.343 1.00 55.10 N ATOM 390 CA LEU A1174 -1.266 -0.440 9.466 1.00 75.13 C ATOM 391 C LEU A1174 0.063 0.167 9.024 1.00 24.23 C ATOM 392 O LEU A1174 0.711 0.876 9.793 1.00 21.32 O ATOM 393 CB LEU A1174 -1.025 -1.804 10.111 1.00 12.24 C ATOM 394 CG LEU A1174 -2.289 -2.555 10.526 1.00 14.22 C ATOM 395 CD1 LEU A1174 -1.957 -3.987 10.916 1.00 44.35 C ATOM 396 CD2 LEU A1174 -2.981 -1.830 11.666 1.00 44.31 C ATOM 0 H LEU A1174 -2.497 -1.508 8.143 1.00 55.10 H new ATOM 0 HA LEU A1174 -1.721 0.224 10.201 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.464 -2.425 9.413 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.397 -1.667 10.991 1.00 12.24 H new ATOM 0 HG LEU A1174 -2.970 -2.587 9.676 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -2.870 -4.505 11.208 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.505 -4.500 10.067 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.258 -3.984 11.752 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -3.880 -2.376 11.952 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -2.307 -1.768 12.520 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.254 -0.824 11.346 1.00 44.31 H new ATOM 408 N ASP A1175 0.463 -0.118 7.781 1.00 70.13 N ATOM 409 CA ASP A1175 1.718 0.400 7.242 1.00 70.13 C ATOM 410 C ASP A1175 1.656 1.918 7.062 1.00 61.50 C ATOM 411 O ASP A1175 2.674 2.600 7.172 1.00 5.34 O ATOM 412 CB ASP A1175 2.079 -0.309 5.923 1.00 65.04 C ATOM 413 CG ASP A1175 2.203 0.635 4.736 1.00 40.44 C ATOM 414 OD1 ASP A1175 3.280 1.236 4.569 1.00 22.11 O ATOM 415 OD2 ASP A1175 1.224 0.766 3.973 1.00 32.31 O ATOM 0 H ASP A1175 -0.064 -0.703 7.133 1.00 70.13 H new ATOM 0 HA ASP A1175 2.509 0.189 7.961 1.00 70.13 H new ATOM 0 HB2 ASP A1175 3.021 -0.841 6.053 1.00 65.04 H new ATOM 0 HB3 ASP A1175 1.318 -1.058 5.703 1.00 65.04 H new ATOM 420 N LYS A1176 0.455 2.449 6.809 1.00 62.33 N ATOM 421 CA LYS A1176 0.276 3.888 6.642 1.00 41.01 C ATOM 422 C LYS A1176 0.518 4.606 7.970 1.00 53.14 C ATOM 423 O LYS A1176 0.229 4.060 9.037 1.00 31.05 O ATOM 424 CB LYS A1176 -1.135 4.202 6.130 1.00 50.13 C ATOM 425 CG LYS A1176 -1.451 3.582 4.777 1.00 60.51 C ATOM 426 CD LYS A1176 -2.949 3.391 4.589 1.00 3.32 C ATOM 427 CE LYS A1176 -3.252 2.422 3.457 1.00 44.32 C ATOM 428 NZ LYS A1176 -3.866 3.105 2.285 1.00 42.40 N ATOM 0 H LYS A1176 -0.402 1.903 6.716 1.00 62.33 H new ATOM 0 HA LYS A1176 1.000 4.241 5.907 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -1.863 3.848 6.860 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -1.253 5.283 6.060 1.00 50.13 H new ATOM 0 HG2 LYS A1176 -1.062 4.220 3.983 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -0.946 2.620 4.689 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -3.388 3.019 5.515 1.00 3.32 H new ATOM 0 HD3 LYS A1176 -3.416 4.354 4.380 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -2.331 1.928 3.147 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -3.925 1.644 3.817 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 -4.812 2.710 2.109 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 -3.947 4.123 2.480 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 -3.269 2.959 1.446 1.00 42.40 H new ATOM 442 N PRO A1177 1.052 5.841 7.927 1.00 43.21 N ATOM 443 CA PRO A1177 1.331 6.626 9.137 1.00 21.41 C ATOM 444 C PRO A1177 0.082 6.857 9.988 1.00 70.01 C ATOM 445 O PRO A1177 0.147 6.827 11.218 1.00 21.51 O ATOM 446 CB PRO A1177 1.870 7.959 8.597 1.00 41.24 C ATOM 447 CG PRO A1177 1.457 7.998 7.163 1.00 60.34 C ATOM 448 CD PRO A1177 1.427 6.570 6.705 1.00 32.13 C ATOM 0 HA PRO A1177 2.029 6.110 9.796 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.456 8.803 9.149 1.00 41.24 H new ATOM 0 HB3 PRO A1177 2.954 8.014 8.696 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.478 8.465 7.051 1.00 60.34 H new ATOM 0 HG3 PRO A1177 2.159 8.584 6.570 1.00 60.34 H new ATOM 0 HD2 PRO A1177 0.702 6.417 5.905 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.396 6.248 6.323 1.00 32.13 H new ATOM 456 N LYS A1178 -1.054 7.094 9.322 1.00 31.54 N ATOM 457 CA LYS A1178 -2.330 7.337 10.002 1.00 31.40 C ATOM 458 C LYS A1178 -2.727 6.192 10.946 1.00 61.44 C ATOM 459 O LYS A1178 -3.543 6.387 11.850 1.00 21.41 O ATOM 460 CB LYS A1178 -3.447 7.566 8.976 1.00 41.11 C ATOM 461 CG LYS A1178 -3.172 8.706 8.004 1.00 75.34 C ATOM 462 CD LYS A1178 -2.804 8.190 6.619 1.00 3.54 C ATOM 463 CE LYS A1178 -3.989 7.524 5.933 1.00 41.41 C ATOM 464 NZ LYS A1178 -3.621 6.973 4.599 1.00 34.11 N ATOM 0 H LYS A1178 -1.114 7.123 8.304 1.00 31.54 H new ATOM 0 HA LYS A1178 -2.193 8.231 10.610 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -3.599 6.648 8.409 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -4.377 7.771 9.506 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -4.053 9.344 7.932 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -2.361 9.325 8.389 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -2.446 9.017 6.006 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -1.984 7.477 6.702 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -4.370 6.722 6.565 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -4.795 8.248 5.817 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -4.406 6.399 4.232 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -3.428 7.755 3.942 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -2.772 6.380 4.691 1.00 34.11 H new ATOM 478 N PHE A1179 -2.155 5.002 10.733 1.00 11.35 N ATOM 479 CA PHE A1179 -2.458 3.834 11.563 1.00 74.35 C ATOM 480 C PHE A1179 -1.270 3.440 12.450 1.00 71.33 C ATOM 481 O PHE A1179 -1.269 2.361 13.048 1.00 74.31 O ATOM 482 CB PHE A1179 -2.870 2.666 10.667 1.00 0.15 C ATOM 483 CG PHE A1179 -4.165 2.923 9.949 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.374 2.609 10.545 1.00 51.03 C ATOM 485 CD2 PHE A1179 -4.173 3.495 8.687 1.00 1.32 C ATOM 486 CE1 PHE A1179 -6.566 2.859 9.897 1.00 13.33 C ATOM 487 CE2 PHE A1179 -5.362 3.744 8.031 1.00 71.30 C ATOM 488 CZ PHE A1179 -6.560 3.426 8.637 1.00 40.42 C ATOM 0 H PHE A1179 -1.478 4.824 9.991 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.282 4.093 12.228 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -2.084 2.478 9.936 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -2.966 1.764 11.272 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -5.384 2.163 11.529 1.00 51.03 H new ATOM 0 HD2 PHE A1179 -3.238 3.749 8.211 1.00 1.32 H new ATOM 0 HE1 PHE A1179 -7.503 2.612 10.374 1.00 13.33 H new ATOM 0 HE2 PHE A1179 -5.354 4.187 7.046 1.00 71.30 H new ATOM 0 HZ PHE A1179 -7.492 3.620 8.127 1.00 40.42 H new ATOM 498 N GLY A1180 -0.271 4.326 12.551 1.00 52.42 N ATOM 499 CA GLY A1180 0.889 4.060 13.387 1.00 4.40 C ATOM 500 C GLY A1180 2.068 3.455 12.640 1.00 41.34 C ATOM 501 O GLY A1180 3.127 3.244 13.236 1.00 12.42 O ATOM 0 H GLY A1180 -0.249 5.223 12.066 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.208 4.992 13.854 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.597 3.384 14.191 1.00 4.40 H new ATOM 505 N GLY A1181 1.901 3.166 11.348 1.00 31.22 N ATOM 506 CA GLY A1181 2.981 2.579 10.578 1.00 64.50 C ATOM 507 C GLY A1181 4.048 3.581 10.180 1.00 12.03 C ATOM 508 O GLY A1181 3.937 4.774 10.469 1.00 23.53 O ATOM 0 H GLY A1181 1.040 3.328 10.826 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.441 1.781 11.161 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.569 2.121 9.679 1.00 64.50 H new ATOM 512 N ARG A1182 5.078 3.084 9.505 1.00 74.12 N ATOM 513 CA ARG A1182 6.183 3.923 9.041 1.00 3.32 C ATOM 514 C ARG A1182 6.053 4.249 7.549 1.00 71.10 C ATOM 515 O ARG A1182 6.746 5.137 7.047 1.00 62.21 O ATOM 516 CB ARG A1182 7.523 3.235 9.324 1.00 0.14 C ATOM 517 CG ARG A1182 8.742 4.083 8.990 1.00 43.10 C ATOM 518 CD ARG A1182 9.673 3.363 8.027 1.00 64.42 C ATOM 519 NE ARG A1182 9.303 3.583 6.626 1.00 41.53 N ATOM 520 CZ ARG A1182 10.121 3.362 5.594 1.00 41.12 C ATOM 521 NH1 ARG A1182 11.361 2.920 5.796 1.00 53.13 N ATOM 522 NH2 ARG A1182 9.699 3.582 4.353 1.00 71.21 N ATOM 0 H ARG A1182 5.173 2.097 9.264 1.00 74.12 H new ATOM 0 HA ARG A1182 6.143 4.864 9.589 1.00 3.32 H new ATOM 0 HB2 ARG A1182 7.563 2.961 10.378 1.00 0.14 H new ATOM 0 HB3 ARG A1182 7.571 2.308 8.752 1.00 0.14 H new ATOM 0 HG2 ARG A1182 8.421 5.027 8.550 1.00 43.10 H new ATOM 0 HG3 ARG A1182 9.281 4.325 9.906 1.00 43.10 H new ATOM 0 HD2 ARG A1182 10.695 3.706 8.189 1.00 64.42 H new ATOM 0 HD3 ARG A1182 9.658 2.294 8.241 1.00 64.42 H new ATOM 0 HE ARG A1182 8.363 3.926 6.427 1.00 41.53 H new ATOM 0 HH11 ARG A1182 11.693 2.748 6.745 1.00 53.13 H new ATOM 0 HH12 ARG A1182 11.979 2.754 5.002 1.00 53.13 H new ATOM 0 HH21 ARG A1182 8.751 3.920 4.189 1.00 71.21 H new ATOM 0 HH22 ARG A1182 10.324 3.413 3.564 1.00 71.21 H new ATOM 536 N ASN A1183 5.173 3.526 6.841 1.00 41.43 N ATOM 537 CA ASN A1183 4.961 3.730 5.410 1.00 51.41 C ATOM 538 C ASN A1183 6.055 3.036 4.600 1.00 55.15 C ATOM 539 O ASN A1183 6.796 3.667 3.843 1.00 54.11 O ATOM 540 CB ASN A1183 4.883 5.224 5.063 1.00 4.35 C ATOM 541 CG ASN A1183 3.808 5.514 4.031 1.00 5.11 C ATOM 542 OD1 ASN A1183 2.637 5.193 4.231 1.00 72.14 O ATOM 543 ND2 ASN A1183 4.200 6.120 2.917 1.00 30.02 N ATOM 0 H ASN A1183 4.594 2.790 7.245 1.00 41.43 H new ATOM 0 HA ASN A1183 4.003 3.282 5.146 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.680 5.796 5.968 1.00 4.35 H new ATOM 0 HB3 ASN A1183 5.849 5.559 4.684 1.00 4.35 H new ATOM 0 HD21 ASN A1183 3.520 6.336 2.188 1.00 30.02 H new ATOM 0 HD22 ASN A1183 5.181 6.370 2.790 1.00 30.02 H new ATOM 550 N ILE A1184 6.135 1.715 4.776 1.00 40.13 N ATOM 551 CA ILE A1184 7.117 0.888 4.082 1.00 12.01 C ATOM 552 C ILE A1184 6.489 0.174 2.875 1.00 42.13 C ATOM 553 O ILE A1184 7.165 -0.072 1.874 1.00 61.31 O ATOM 554 CB ILE A1184 7.749 -0.144 5.052 1.00 12.40 C ATOM 555 CG1 ILE A1184 9.249 -0.291 4.775 1.00 34.52 C ATOM 556 CG2 ILE A1184 7.051 -1.497 4.962 1.00 50.22 C ATOM 557 CD1 ILE A1184 10.115 -0.045 5.993 1.00 24.03 C ATOM 0 H ILE A1184 5.522 1.193 5.402 1.00 40.13 H new ATOM 0 HA ILE A1184 7.904 1.546 3.714 1.00 12.01 H new ATOM 0 HB ILE A1184 7.616 0.229 6.068 1.00 12.40 H new ATOM 0 HG12 ILE A1184 9.444 -1.295 4.397 1.00 34.52 H new ATOM 0 HG13 ILE A1184 9.535 0.407 3.988 1.00 34.52 H new ATOM 0 HG21 ILE A1184 7.520 -2.195 5.655 1.00 50.22 H new ATOM 0 HG22 ILE A1184 5.998 -1.381 5.220 1.00 50.22 H new ATOM 0 HG23 ILE A1184 7.135 -1.883 3.946 1.00 50.22 H new ATOM 0 HD11 ILE A1184 11.164 -0.166 5.724 1.00 24.03 H new ATOM 0 HD12 ILE A1184 9.949 0.968 6.359 1.00 24.03 H new ATOM 0 HD13 ILE A1184 9.856 -0.760 6.774 1.00 24.03 H new ATOM 569 N LYS A1185 5.192 -0.146 2.977 1.00 22.13 N ATOM 570 CA LYS A1185 4.472 -0.819 1.898 1.00 41.34 C ATOM 571 C LYS A1185 3.999 0.198 0.867 1.00 65.14 C ATOM 572 O LYS A1185 4.213 0.036 -0.335 1.00 73.52 O ATOM 573 CB LYS A1185 3.265 -1.601 2.440 1.00 2.33 C ATOM 574 CG LYS A1185 3.623 -2.744 3.384 1.00 2.30 C ATOM 575 CD LYS A1185 2.435 -3.134 4.262 1.00 72.33 C ATOM 576 CE LYS A1185 2.000 -4.578 4.033 1.00 71.00 C ATOM 577 NZ LYS A1185 1.580 -4.826 2.625 1.00 23.33 N ATOM 0 H LYS A1185 4.623 0.053 3.800 1.00 22.13 H new ATOM 0 HA LYS A1185 5.158 -1.523 1.427 1.00 41.34 H new ATOM 0 HB2 LYS A1185 2.605 -0.909 2.962 1.00 2.33 H new ATOM 0 HB3 LYS A1185 2.702 -2.005 1.598 1.00 2.33 H new ATOM 0 HG2 LYS A1185 3.949 -3.608 2.805 1.00 2.30 H new ATOM 0 HG3 LYS A1185 4.462 -2.448 4.014 1.00 2.30 H new ATOM 0 HD2 LYS A1185 2.700 -2.998 5.311 1.00 72.33 H new ATOM 0 HD3 LYS A1185 1.598 -2.467 4.056 1.00 72.33 H new ATOM 0 HE2 LYS A1185 2.822 -5.247 4.288 1.00 71.00 H new ATOM 0 HE3 LYS A1185 1.174 -4.817 4.703 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 1.061 -5.726 2.571 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 0.964 -4.051 2.305 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 2.421 -4.874 2.015 1.00 23.33 H new ATOM 591 N LYS A1186 3.353 1.254 1.368 1.00 53.34 N ATOM 592 CA LYS A1186 2.828 2.333 0.540 1.00 34.15 C ATOM 593 C LYS A1186 1.807 1.806 -0.470 1.00 12.40 C ATOM 594 O LYS A1186 1.955 1.997 -1.673 1.00 50.03 O ATOM 595 CB LYS A1186 3.969 3.061 -0.182 1.00 44.31 C ATOM 596 CG LYS A1186 5.016 3.643 0.756 1.00 44.13 C ATOM 597 CD LYS A1186 6.357 3.806 0.059 1.00 34.02 C ATOM 598 CE LYS A1186 7.142 2.502 0.039 1.00 63.44 C ATOM 599 NZ LYS A1186 8.005 2.388 -1.170 1.00 13.23 N ATOM 0 H LYS A1186 3.181 1.381 2.365 1.00 53.34 H new ATOM 0 HA LYS A1186 2.321 3.042 1.194 1.00 34.15 H new ATOM 0 HB2 LYS A1186 4.455 2.366 -0.867 1.00 44.31 H new ATOM 0 HB3 LYS A1186 3.549 3.865 -0.787 1.00 44.31 H new ATOM 0 HG2 LYS A1186 4.677 4.610 1.126 1.00 44.13 H new ATOM 0 HG3 LYS A1186 5.132 2.992 1.623 1.00 44.13 H new ATOM 0 HD2 LYS A1186 6.197 4.150 -0.963 1.00 34.02 H new ATOM 0 HD3 LYS A1186 6.940 4.574 0.567 1.00 34.02 H new ATOM 0 HE2 LYS A1186 7.761 2.438 0.934 1.00 63.44 H new ATOM 0 HE3 LYS A1186 6.449 1.661 0.070 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 8.522 1.486 -1.144 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 7.413 2.423 -2.024 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 8.684 3.176 -1.187 1.00 13.23 H new ATOM 613 N GLN A1187 0.774 1.133 0.028 1.00 50.40 N ATOM 614 CA GLN A1187 -0.257 0.570 -0.841 1.00 53.33 C ATOM 615 C GLN A1187 -1.658 0.843 -0.297 1.00 74.03 C ATOM 616 O GLN A1187 -1.823 1.317 0.830 1.00 12.15 O ATOM 617 CB GLN A1187 -0.037 -0.939 -1.000 1.00 3.24 C ATOM 618 CG GLN A1187 -0.576 -1.509 -2.305 1.00 52.22 C ATOM 619 CD GLN A1187 -0.079 -2.917 -2.583 1.00 55.31 C ATOM 620 OE1 GLN A1187 0.323 -3.641 -1.672 1.00 35.23 O ATOM 621 NE2 GLN A1187 -0.106 -3.316 -3.850 1.00 25.41 N ATOM 0 H GLN A1187 0.628 0.964 1.023 1.00 50.40 H new ATOM 0 HA GLN A1187 -0.179 1.053 -1.815 1.00 53.33 H new ATOM 0 HB2 GLN A1187 1.031 -1.149 -0.937 1.00 3.24 H new ATOM 0 HB3 GLN A1187 -0.513 -1.455 -0.166 1.00 3.24 H new ATOM 0 HG2 GLN A1187 -1.665 -1.513 -2.272 1.00 52.22 H new ATOM 0 HG3 GLN A1187 -0.285 -0.857 -3.128 1.00 52.22 H new ATOM 0 HE21 GLN A1187 -0.447 -2.686 -4.576 1.00 25.41 H new ATOM 0 HE22 GLN A1187 0.214 -4.253 -4.097 1.00 25.41 H new ATOM 630 N CYS A1188 -2.664 0.551 -1.124 1.00 24.13 N ATOM 631 CA CYS A1188 -4.062 0.769 -0.768 1.00 3.24 C ATOM 632 C CYS A1188 -4.593 -0.314 0.170 1.00 43.41 C ATOM 633 O CYS A1188 -4.113 -1.448 0.164 1.00 40.23 O ATOM 634 CB CYS A1188 -4.929 0.839 -2.027 1.00 43.51 C ATOM 635 SG CYS A1188 -5.618 2.477 -2.360 1.00 5.43 S ATOM 0 H CYS A1188 -2.530 0.158 -2.056 1.00 24.13 H new ATOM 0 HA CYS A1188 -4.114 1.720 -0.238 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -4.332 0.527 -2.884 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -5.747 0.125 -1.932 1.00 43.51 H new ATOM 0 HG CYS A1188 -6.333 2.435 -3.445 1.00 5.43 H new ATOM 641 N CYS A1189 -5.610 0.050 0.946 1.00 75.03 N ATOM 642 CA CYS A1189 -6.250 -0.885 1.873 1.00 5.21 C ATOM 643 C CYS A1189 -6.610 -2.193 1.161 1.00 3.23 C ATOM 644 O CYS A1189 -7.101 -2.180 0.031 1.00 42.41 O ATOM 645 CB CYS A1189 -7.508 -0.249 2.470 1.00 1.22 C ATOM 646 SG CYS A1189 -8.482 -1.359 3.508 1.00 22.22 S ATOM 0 H CYS A1189 -6.011 0.988 0.953 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.548 -1.112 2.675 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -7.216 0.619 3.061 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -8.137 0.115 1.658 1.00 1.22 H new ATOM 0 HG CYS A1189 -9.736 -1.022 3.447 1.00 22.22 H new ATOM 651 N LYS A1190 -6.367 -3.318 1.841 1.00 63.32 N ATOM 652 CA LYS A1190 -6.668 -4.650 1.304 1.00 34.02 C ATOM 653 C LYS A1190 -8.150 -4.781 0.939 1.00 55.43 C ATOM 654 O LYS A1190 -8.506 -5.484 -0.009 1.00 3.24 O ATOM 655 CB LYS A1190 -6.297 -5.726 2.334 1.00 42.40 C ATOM 656 CG LYS A1190 -5.015 -6.483 2.014 1.00 41.11 C ATOM 657 CD LYS A1190 -3.788 -5.587 2.095 1.00 65.13 C ATOM 658 CE LYS A1190 -2.682 -6.077 1.171 1.00 71.24 C ATOM 659 NZ LYS A1190 -1.341 -6.018 1.816 1.00 34.12 N ATOM 0 H LYS A1190 -5.958 -3.332 2.775 1.00 63.32 H new ATOM 0 HA LYS A1190 -6.078 -4.788 0.398 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -6.193 -5.256 3.312 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -7.118 -6.439 2.409 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -4.903 -7.315 2.709 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -5.086 -6.910 1.014 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -4.062 -4.566 1.828 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -3.422 -5.560 3.121 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -2.892 -7.103 0.868 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -2.674 -5.472 0.264 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -0.608 -5.925 1.084 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -1.299 -5.198 2.455 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -1.179 -6.889 2.360 1.00 34.12 H new ATOM 673 N MET A1191 -9.004 -4.080 1.689 1.00 51.35 N ATOM 674 CA MET A1191 -10.446 -4.086 1.450 1.00 43.31 C ATOM 675 C MET A1191 -10.836 -3.093 0.351 1.00 42.42 C ATOM 676 O MET A1191 -11.953 -3.147 -0.168 1.00 52.24 O ATOM 677 CB MET A1191 -11.198 -3.749 2.743 1.00 14.25 C ATOM 678 CG MET A1191 -11.496 -4.963 3.607 1.00 23.42 C ATOM 679 SD MET A1191 -13.024 -4.790 4.550 1.00 75.10 S ATOM 680 CE MET A1191 -14.249 -4.955 3.254 1.00 20.12 C ATOM 0 H MET A1191 -8.716 -3.496 2.474 1.00 51.35 H new ATOM 0 HA MET A1191 -10.723 -5.087 1.118 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.609 -3.038 3.321 1.00 14.25 H new ATOM 0 HB3 MET A1191 -12.136 -3.255 2.490 1.00 14.25 H new ATOM 0 HG2 MET A1191 -11.564 -5.847 2.973 1.00 23.42 H new ATOM 0 HG3 MET A1191 -10.666 -5.127 4.295 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.962 -4.134 3.321 1.00 20.12 H new ATOM 0 HE2 MET A1191 -13.756 -4.929 2.282 1.00 20.12 H new ATOM 0 HE3 MET A1191 -14.775 -5.903 3.369 1.00 20.12 H new ATOM 690 N ARG A1192 -9.924 -2.176 0.013 1.00 70.22 N ATOM 691 CA ARG A1192 -10.195 -1.165 -1.005 1.00 25.23 C ATOM 692 C ARG A1192 -9.442 -1.412 -2.319 1.00 34.10 C ATOM 693 O ARG A1192 -9.617 -0.656 -3.277 1.00 21.31 O ATOM 694 CB ARG A1192 -9.837 0.225 -0.469 1.00 33.42 C ATOM 695 CG ARG A1192 -10.684 0.661 0.717 1.00 44.45 C ATOM 696 CD ARG A1192 -10.502 2.140 1.025 1.00 14.13 C ATOM 697 NE ARG A1192 -9.115 2.466 1.367 1.00 74.11 N ATOM 698 CZ ARG A1192 -8.240 3.025 0.524 1.00 43.31 C ATOM 699 NH1 ARG A1192 -8.592 3.321 -0.726 1.00 72.34 N ATOM 700 NH2 ARG A1192 -7.003 3.286 0.934 1.00 41.14 N ATOM 0 H ARG A1192 -8.995 -2.116 0.430 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.260 -1.228 -1.228 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -8.787 0.232 -0.176 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -9.949 0.954 -1.272 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -11.735 0.459 0.508 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -10.415 0.071 1.593 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -10.810 2.730 0.162 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -11.154 2.420 1.852 1.00 14.13 H new ATOM 0 HE ARG A1192 -8.795 2.252 2.312 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -9.538 3.122 -1.050 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -7.915 3.747 -1.359 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -6.724 3.060 1.889 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -6.333 3.712 0.294 1.00 41.14 H new ATOM 714 N LYS A1193 -8.614 -2.465 -2.376 1.00 12.22 N ATOM 715 CA LYS A1193 -7.861 -2.782 -3.592 1.00 53.34 C ATOM 716 C LYS A1193 -8.802 -3.132 -4.745 1.00 23.33 C ATOM 717 O LYS A1193 -9.591 -4.076 -4.658 1.00 10.03 O ATOM 718 CB LYS A1193 -6.888 -3.938 -3.335 1.00 52.02 C ATOM 719 CG LYS A1193 -5.656 -3.911 -4.229 1.00 53.24 C ATOM 720 CD LYS A1193 -4.758 -2.723 -3.914 1.00 44.42 C ATOM 721 CE LYS A1193 -4.844 -1.650 -4.991 1.00 34.02 C ATOM 722 NZ LYS A1193 -3.649 -1.653 -5.879 1.00 62.42 N ATOM 0 H LYS A1193 -8.451 -3.106 -1.599 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.290 -1.897 -3.873 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -6.570 -3.909 -2.293 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -7.412 -4.882 -3.482 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -5.094 -4.836 -4.102 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -5.965 -3.867 -5.273 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -5.043 -2.297 -2.952 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -3.726 -3.062 -3.820 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -5.741 -1.809 -5.590 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -4.944 -0.672 -4.521 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -3.749 -0.908 -6.597 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -2.795 -1.476 -5.312 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -3.568 -2.578 -6.348 1.00 62.42 H new ATOM 736 N CYS A1194 -8.700 -2.355 -5.823 1.00 72.22 N ATOM 737 CA CYS A1194 -9.522 -2.557 -7.011 1.00 10.42 C ATOM 738 C CYS A1194 -9.249 -3.923 -7.650 1.00 55.20 C ATOM 739 O CYS A1194 -8.097 -4.291 -7.893 1.00 0.11 O ATOM 740 CB CYS A1194 -9.252 -1.435 -8.014 1.00 74.32 C ATOM 741 SG CYS A1194 -10.140 -1.600 -9.576 1.00 0.41 S ATOM 0 H CYS A1194 -8.049 -1.573 -5.895 1.00 72.22 H new ATOM 0 HA CYS A1194 -10.571 -2.535 -6.716 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -9.521 -0.483 -7.556 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.182 -1.399 -8.220 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.178 -2.365 -9.407 1.00 0.41 H new ATOM 746 N GLN A1195 -10.326 -4.662 -7.910 1.00 50.31 N ATOM 747 CA GLN A1195 -10.246 -5.998 -8.512 1.00 20.22 C ATOM 748 C GLN A1195 -10.307 -5.955 -10.047 1.00 15.11 C ATOM 749 O GLN A1195 -10.133 -6.982 -10.704 1.00 43.24 O ATOM 750 CB GLN A1195 -11.378 -6.881 -7.974 1.00 45.21 C ATOM 751 CG GLN A1195 -11.151 -8.369 -8.193 1.00 43.13 C ATOM 752 CD GLN A1195 -12.276 -9.020 -8.976 1.00 50.42 C ATOM 753 OE1 GLN A1195 -13.286 -9.434 -8.406 1.00 71.33 O ATOM 754 NE2 GLN A1195 -12.110 -9.113 -10.292 1.00 42.22 N ATOM 0 H GLN A1195 -11.278 -4.355 -7.711 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.279 -6.419 -8.236 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -11.496 -6.694 -6.907 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -12.313 -6.591 -8.454 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -10.211 -8.515 -8.725 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -11.051 -8.864 -7.227 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -11.258 -8.757 -10.725 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -12.835 -9.540 -10.869 1.00 42.22 H new ATOM 763 N ASN A1196 -10.549 -4.769 -10.614 1.00 31.31 N ATOM 764 CA ASN A1196 -10.630 -4.604 -12.067 1.00 53.34 C ATOM 765 C ASN A1196 -10.012 -3.268 -12.485 1.00 64.12 C ATOM 766 O ASN A1196 -10.667 -2.427 -13.105 1.00 45.42 O ATOM 767 CB ASN A1196 -12.089 -4.687 -12.530 1.00 22.42 C ATOM 768 CG ASN A1196 -12.688 -6.066 -12.325 1.00 75.25 C ATOM 769 OD1 ASN A1196 -12.544 -6.950 -13.168 1.00 22.25 O ATOM 770 ND2 ASN A1196 -13.364 -6.258 -11.197 1.00 70.22 N ATOM 0 H ASN A1196 -10.692 -3.908 -10.087 1.00 31.31 H new ATOM 0 HA ASN A1196 -10.069 -5.409 -12.542 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -12.682 -3.953 -11.985 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -12.147 -4.423 -13.586 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -13.787 -7.166 -11.004 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -13.460 -5.498 -10.524 1.00 70.22 H new ATOM 777 N LEU A1197 -8.744 -3.086 -12.123 1.00 41.12 N ATOM 778 CA LEU A1197 -8.010 -1.859 -12.429 1.00 72.14 C ATOM 779 C LEU A1197 -7.813 -1.644 -13.928 1.00 40.01 C ATOM 780 O LEU A1197 -7.635 -2.595 -14.691 1.00 52.43 O ATOM 781 CB LEU A1197 -6.645 -1.882 -11.741 1.00 60.33 C ATOM 782 CG LEU A1197 -6.635 -1.362 -10.302 1.00 11.12 C ATOM 783 CD1 LEU A1197 -5.242 -1.475 -9.712 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.122 0.080 -10.243 1.00 53.11 C ATOM 0 H LEU A1197 -8.198 -3.780 -11.612 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.613 -1.032 -12.055 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.271 -2.906 -11.744 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -5.948 -1.287 -12.331 1.00 60.33 H new ATOM 0 HG LEU A1197 -7.316 -1.975 -9.712 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -5.249 -1.102 -8.688 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -4.929 -2.519 -9.715 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.545 -0.886 -10.308 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -7.106 0.427 -9.210 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.469 0.710 -10.848 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.140 0.136 -10.629 1.00 53.11 H new