USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=14 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= -1.23 K(o=-1.1,f=-6.2!) USER MOD Set 1.2: A1185 LYS NZ :NH3+ 175:sc= 0.176 (180deg=0) USER MOD Set 2.1: A1167 CYS SG : rot 127:sc= -1.27! USER MOD Set 2.2: A1170 CYS SG : rot 180:sc= 1.2 USER MOD Set 2.3: A1173 CYS SG : rot -47:sc= 0.436 USER MOD Set 2.4: A1189 CYS SG : rot 107:sc= -0.143 USER MOD Set 3.1: A1155 CYS SG : rot -52:sc= -0.719 USER MOD Set 3.2: A1158 CYS SG : rot -67:sc= 0.592 USER MOD Set 3.3: A1161 CYS SG : rot 60:sc= -1.58 USER MOD Set 3.4: A1194 CYS SG : rot 20:sc= 0.242 USER MOD Single : A1157 GLN : amide:sc= -0.0324 X(o=-0.032,f=0.082) USER MOD Single : A1162 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.62) USER MOD Single : A1171 THR OG1 : rot 180:sc= -2.29! USER MOD Single : A1176 LYS NZ :NH3+ 163:sc= 0.666 (180deg=0.209) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -0.0161 K(o=-0.016,f=-3.8!) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1187 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A1188 CYS SG : rot -57:sc= -1.62 USER MOD Single : A1190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1191 MET CE :methyl -126:sc= -0.2 (180deg=-4.12!) USER MOD Single : A1193 LYS NZ :NH3+ -148:sc= -0.0631 (180deg=-1.63!) USER MOD Single : A1195 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A1196 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -6.049 2.385 -13.211 1.00 33.42 N ATOM 112 CA ARG A1153 -7.118 3.207 -12.636 1.00 41.43 C ATOM 113 C ARG A1153 -8.229 2.368 -12.007 1.00 11.15 C ATOM 114 O ARG A1153 -8.616 1.332 -12.549 1.00 31.14 O ATOM 115 CB ARG A1153 -7.739 4.076 -13.731 1.00 14.30 C ATOM 116 CG ARG A1153 -6.720 4.800 -14.596 1.00 73.14 C ATOM 117 CD ARG A1153 -6.876 6.310 -14.510 1.00 1.24 C ATOM 118 NE ARG A1153 -8.280 6.733 -14.488 1.00 23.40 N ATOM 119 CZ ARG A1153 -9.132 6.591 -15.510 1.00 2.31 C ATOM 120 NH1 ARG A1153 -8.736 6.034 -16.652 1.00 44.11 N ATOM 121 NH2 ARG A1153 -10.387 7.006 -15.385 1.00 74.32 N ATOM 0 HA ARG A1153 -6.664 3.816 -11.854 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -8.362 3.449 -14.369 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -8.396 4.812 -13.268 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -5.714 4.520 -14.283 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -6.832 4.482 -15.632 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -6.377 6.672 -13.611 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -6.375 6.772 -15.360 1.00 1.24 H new ATOM 0 HE ARG A1153 -8.632 7.166 -13.634 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -7.774 5.710 -16.755 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -9.394 5.931 -17.424 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -10.699 7.431 -14.512 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -11.039 6.899 -16.162 1.00 74.32 H new ATOM 135 N ARG A1154 -8.756 2.832 -10.874 1.00 52.40 N ATOM 136 CA ARG A1154 -9.844 2.134 -10.190 1.00 62.14 C ATOM 137 C ARG A1154 -11.092 2.127 -11.080 1.00 30.30 C ATOM 138 O ARG A1154 -11.476 3.164 -11.625 1.00 74.42 O ATOM 139 CB ARG A1154 -10.157 2.816 -8.852 1.00 45.41 C ATOM 140 CG ARG A1154 -9.464 2.177 -7.656 1.00 23.13 C ATOM 141 CD ARG A1154 -7.958 2.080 -7.861 1.00 3.20 C ATOM 142 NE ARG A1154 -7.281 3.349 -7.593 1.00 15.22 N ATOM 143 CZ ARG A1154 -6.294 3.852 -8.342 1.00 23.13 C ATOM 144 NH1 ARG A1154 -5.860 3.207 -9.424 1.00 2.55 N ATOM 145 NH2 ARG A1154 -5.735 5.010 -8.006 1.00 40.44 N ATOM 0 H ARG A1154 -8.448 3.687 -10.411 1.00 52.40 H new ATOM 0 HA ARG A1154 -9.537 1.107 -9.993 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -9.863 3.864 -8.912 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -11.234 2.796 -8.689 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -9.672 2.762 -6.760 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -9.873 1.181 -7.488 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -7.553 1.309 -7.206 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -7.752 1.769 -8.885 1.00 3.20 H new ATOM 0 HE ARG A1154 -7.582 3.886 -6.780 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -6.281 2.317 -9.691 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -5.106 3.603 -9.986 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -6.059 5.512 -7.179 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -4.982 5.397 -8.575 1.00 40.44 H new ATOM 159 N CYS A1155 -11.711 0.957 -11.238 1.00 23.05 N ATOM 160 CA CYS A1155 -12.903 0.814 -12.077 1.00 1.11 C ATOM 161 C CYS A1155 -14.084 1.638 -11.564 1.00 10.20 C ATOM 162 O CYS A1155 -14.771 2.291 -12.352 1.00 75.34 O ATOM 163 CB CYS A1155 -13.313 -0.655 -12.192 1.00 33.23 C ATOM 164 SG CYS A1155 -13.549 -1.489 -10.610 1.00 53.42 S ATOM 0 H CYS A1155 -11.406 0.091 -10.794 1.00 23.05 H new ATOM 0 HA CYS A1155 -12.635 1.197 -13.062 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.239 -0.717 -12.763 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.551 -1.189 -12.760 1.00 33.23 H new ATOM 0 HG CYS A1155 -12.501 -1.306 -9.862 1.00 53.42 H new ATOM 169 N GLY A1156 -14.326 1.603 -10.251 1.00 23.42 N ATOM 170 CA GLY A1156 -15.434 2.352 -9.680 1.00 72.43 C ATOM 171 C GLY A1156 -16.680 1.502 -9.449 1.00 43.32 C ATOM 172 O GLY A1156 -17.658 1.987 -8.878 1.00 3.12 O ATOM 0 H GLY A1156 -13.776 1.071 -9.577 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.119 2.788 -8.732 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -15.685 3.180 -10.344 1.00 72.43 H new ATOM 176 N GLN A1157 -16.658 0.243 -9.905 1.00 34.13 N ATOM 177 CA GLN A1157 -17.813 -0.650 -9.749 1.00 5.23 C ATOM 178 C GLN A1157 -17.487 -1.912 -8.936 1.00 54.32 C ATOM 179 O GLN A1157 -18.400 -2.635 -8.533 1.00 24.22 O ATOM 180 CB GLN A1157 -18.361 -1.044 -11.124 1.00 1.14 C ATOM 181 CG GLN A1157 -18.972 0.117 -11.896 1.00 4.15 C ATOM 182 CD GLN A1157 -20.259 0.626 -11.270 1.00 45.04 C ATOM 183 OE1 GLN A1157 -20.248 1.588 -10.502 1.00 51.54 O ATOM 184 NE2 GLN A1157 -21.376 -0.017 -11.596 1.00 12.22 N ATOM 0 H GLN A1157 -15.860 -0.178 -10.381 1.00 34.13 H new ATOM 0 HA GLN A1157 -18.568 -0.096 -9.190 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -17.555 -1.478 -11.716 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -19.115 -1.820 -10.996 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -18.251 0.933 -11.948 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -19.171 -0.198 -12.920 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -21.340 -0.810 -12.237 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -22.269 0.283 -11.205 1.00 12.22 H new ATOM 193 N CYS A1158 -16.200 -2.182 -8.700 1.00 21.34 N ATOM 194 CA CYS A1158 -15.798 -3.369 -7.940 1.00 11.34 C ATOM 195 C CYS A1158 -16.011 -3.164 -6.438 1.00 1.24 C ATOM 196 O CYS A1158 -16.040 -2.031 -5.954 1.00 10.22 O ATOM 197 CB CYS A1158 -14.335 -3.727 -8.227 1.00 53.42 C ATOM 198 SG CYS A1158 -13.128 -2.676 -7.386 1.00 41.45 S ATOM 0 H CYS A1158 -15.425 -1.601 -9.021 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.429 -4.198 -8.261 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -14.163 -4.763 -7.934 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -14.164 -3.667 -9.302 1.00 53.42 H new ATOM 0 HG CYS A1158 -13.194 -1.470 -7.866 1.00 41.45 H new ATOM 203 N PRO A1159 -16.174 -4.271 -5.679 1.00 13.34 N ATOM 204 CA PRO A1159 -16.398 -4.220 -4.225 1.00 52.32 C ATOM 205 C PRO A1159 -15.279 -3.507 -3.465 1.00 10.44 C ATOM 206 O PRO A1159 -15.530 -2.863 -2.443 1.00 34.34 O ATOM 207 CB PRO A1159 -16.467 -5.695 -3.813 1.00 33.14 C ATOM 208 CG PRO A1159 -16.807 -6.428 -5.064 1.00 53.42 C ATOM 209 CD PRO A1159 -16.165 -5.656 -6.181 1.00 42.13 C ATOM 0 HA PRO A1159 -17.297 -3.651 -3.987 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.516 -6.035 -3.402 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -17.222 -5.855 -3.044 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -16.433 -7.451 -5.031 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -17.887 -6.488 -5.201 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -15.152 -6.005 -6.382 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.726 -5.751 -7.111 1.00 42.13 H new ATOM 217 N GLY A1160 -14.050 -3.598 -3.982 1.00 75.21 N ATOM 218 CA GLY A1160 -12.925 -2.930 -3.349 1.00 43.32 C ATOM 219 C GLY A1160 -13.016 -1.420 -3.499 1.00 4.10 C ATOM 220 O GLY A1160 -12.674 -0.674 -2.581 1.00 54.55 O ATOM 0 H GLY A1160 -13.817 -4.122 -4.826 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -12.895 -3.190 -2.291 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -11.994 -3.285 -3.791 1.00 43.32 H new ATOM 224 N CYS A1161 -13.510 -0.978 -4.657 1.00 41.14 N ATOM 225 CA CYS A1161 -13.688 0.442 -4.948 1.00 54.42 C ATOM 226 C CYS A1161 -14.836 1.031 -4.123 1.00 32.30 C ATOM 227 O CYS A1161 -14.905 2.245 -3.923 1.00 53.41 O ATOM 228 CB CYS A1161 -13.954 0.654 -6.443 1.00 63.34 C ATOM 229 SG CYS A1161 -12.456 0.775 -7.449 1.00 42.02 S ATOM 0 H CYS A1161 -13.797 -1.595 -5.417 1.00 41.14 H new ATOM 0 HA CYS A1161 -12.768 0.958 -4.676 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -14.562 -0.171 -6.814 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -14.540 1.564 -6.571 1.00 63.34 H new ATOM 0 HG CYS A1161 -11.766 -0.321 -7.333 1.00 42.02 H new ATOM 234 N GLN A1162 -15.736 0.163 -3.645 1.00 33.23 N ATOM 235 CA GLN A1162 -16.882 0.588 -2.845 1.00 41.33 C ATOM 236 C GLN A1162 -16.485 0.877 -1.396 1.00 43.34 C ATOM 237 O GLN A1162 -17.208 1.587 -0.699 1.00 22.15 O ATOM 238 CB GLN A1162 -17.978 -0.481 -2.876 1.00 63.42 C ATOM 239 CG GLN A1162 -18.678 -0.603 -4.221 1.00 70.05 C ATOM 240 CD GLN A1162 -19.266 -1.983 -4.452 1.00 21.00 C ATOM 241 OE1 GLN A1162 -19.888 -2.564 -3.562 1.00 64.12 O ATOM 242 NE2 GLN A1162 -19.073 -2.517 -5.653 1.00 3.02 N ATOM 0 H GLN A1162 -15.688 -0.844 -3.802 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.261 1.512 -3.283 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -17.540 -1.445 -2.616 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -18.719 -0.251 -2.111 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -19.473 0.141 -4.281 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -17.969 -0.377 -5.017 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -18.552 -2.002 -6.362 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -19.446 -3.442 -5.866 1.00 3.02 H new ATOM 251 N VAL A1163 -15.327 0.372 -0.948 1.00 50.22 N ATOM 252 CA VAL A1163 -14.858 0.645 0.411 1.00 63.43 C ATOM 253 C VAL A1163 -14.304 2.074 0.451 1.00 1.44 C ATOM 254 O VAL A1163 -13.301 2.377 -0.198 1.00 23.11 O ATOM 255 CB VAL A1163 -13.798 -0.391 0.866 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.046 0.063 2.109 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.457 -1.736 1.115 1.00 45.33 C ATOM 0 H VAL A1163 -14.707 -0.220 -1.501 1.00 50.22 H new ATOM 0 HA VAL A1163 -15.690 0.556 1.110 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.068 -0.485 0.062 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.315 -0.695 2.389 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -12.533 1.002 1.901 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -13.751 0.208 2.928 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -13.704 -2.457 1.434 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.213 -1.632 1.893 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -14.928 -2.086 0.196 1.00 45.33 H new ATOM 267 N PRO A1164 -14.998 2.989 1.164 1.00 71.44 N ATOM 268 CA PRO A1164 -14.619 4.407 1.223 1.00 13.33 C ATOM 269 C PRO A1164 -13.563 4.769 2.268 1.00 5.30 C ATOM 270 O PRO A1164 -13.044 5.887 2.246 1.00 5.32 O ATOM 271 CB PRO A1164 -15.945 5.082 1.570 1.00 15.33 C ATOM 272 CG PRO A1164 -16.664 4.086 2.413 1.00 1.11 C ATOM 273 CD PRO A1164 -16.245 2.727 1.915 1.00 3.53 C ATOM 0 HA PRO A1164 -14.151 4.715 0.288 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -15.785 6.016 2.109 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -16.513 5.325 0.672 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -16.408 4.210 3.465 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -17.743 4.214 2.331 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.076 2.035 2.740 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.009 2.283 1.277 1.00 3.53 H new ATOM 281 N GLU A1165 -13.252 3.860 3.193 1.00 65.22 N ATOM 282 CA GLU A1165 -12.272 4.167 4.227 1.00 11.42 C ATOM 283 C GLU A1165 -11.446 2.955 4.630 1.00 40.05 C ATOM 284 O GLU A1165 -11.922 1.818 4.610 1.00 72.02 O ATOM 285 CB GLU A1165 -12.967 4.736 5.461 1.00 54.32 C ATOM 286 CG GLU A1165 -14.406 4.286 5.617 1.00 74.44 C ATOM 287 CD GLU A1165 -14.530 2.808 5.945 1.00 4.32 C ATOM 288 OE1 GLU A1165 -14.174 2.417 7.077 1.00 55.43 O ATOM 289 OE2 GLU A1165 -14.981 2.042 5.067 1.00 4.11 O ATOM 0 H GLU A1165 -13.656 2.925 3.246 1.00 65.22 H new ATOM 0 HA GLU A1165 -11.591 4.906 3.803 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -12.407 4.443 6.349 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -12.940 5.825 5.412 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -14.880 4.869 6.406 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -14.949 4.495 4.695 1.00 74.44 H new ATOM 296 N ASP A1166 -10.204 3.228 5.024 1.00 52.42 N ATOM 297 CA ASP A1166 -9.283 2.194 5.474 1.00 54.32 C ATOM 298 C ASP A1166 -9.845 1.471 6.696 1.00 24.20 C ATOM 299 O ASP A1166 -10.269 2.104 7.667 1.00 4.45 O ATOM 300 CB ASP A1166 -7.917 2.800 5.810 1.00 42.32 C ATOM 301 CG ASP A1166 -7.109 3.138 4.572 1.00 32.30 C ATOM 302 OD1 ASP A1166 -7.435 4.141 3.903 1.00 11.20 O ATOM 303 OD2 ASP A1166 -6.145 2.400 4.271 1.00 1.41 O ATOM 0 H ASP A1166 -9.812 4.169 5.039 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.159 1.474 4.665 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -8.060 3.703 6.404 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.354 2.099 6.427 1.00 42.32 H new ATOM 308 N CYS A1167 -9.841 0.146 6.636 1.00 33.35 N ATOM 309 CA CYS A1167 -10.347 -0.686 7.732 1.00 12.51 C ATOM 310 C CYS A1167 -9.582 -0.435 9.028 1.00 3.00 C ATOM 311 O CYS A1167 -10.153 -0.474 10.119 1.00 75.13 O ATOM 312 CB CYS A1167 -10.268 -2.170 7.373 1.00 20.21 C ATOM 313 SG CYS A1167 -10.275 -2.496 5.602 1.00 63.11 S ATOM 0 H CYS A1167 -9.492 -0.383 5.837 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.390 -0.409 7.886 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -9.360 -2.590 7.806 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -11.110 -2.689 7.831 1.00 20.21 H new ATOM 0 HG CYS A1167 -9.257 -3.244 5.295 1.00 63.11 H new ATOM 318 N GLY A1168 -8.280 -0.183 8.887 1.00 61.35 N ATOM 319 CA GLY A1168 -7.433 0.069 10.032 1.00 61.11 C ATOM 320 C GLY A1168 -6.862 -1.196 10.654 1.00 41.43 C ATOM 321 O GLY A1168 -6.125 -1.114 11.636 1.00 11.55 O ATOM 0 H GLY A1168 -7.798 -0.150 7.989 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -6.612 0.719 9.730 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.006 0.609 10.786 1.00 61.11 H new ATOM 325 N VAL A1169 -7.207 -2.369 10.102 1.00 5.14 N ATOM 326 CA VAL A1169 -6.719 -3.638 10.642 1.00 10.32 C ATOM 327 C VAL A1169 -5.804 -4.392 9.667 1.00 1.33 C ATOM 328 O VAL A1169 -4.912 -5.124 10.100 1.00 0.21 O ATOM 329 CB VAL A1169 -7.876 -4.565 11.076 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.562 -4.020 12.320 1.00 64.11 C ATOM 331 CG2 VAL A1169 -8.879 -4.752 9.945 1.00 34.30 C ATOM 0 H VAL A1169 -7.817 -2.461 9.289 1.00 5.14 H new ATOM 0 HA VAL A1169 -6.130 -3.367 11.518 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.455 -5.541 11.317 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -9.374 -4.687 12.610 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -7.840 -3.953 13.134 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -8.964 -3.029 12.109 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.683 -5.409 10.277 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -9.294 -3.784 9.663 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -8.379 -5.197 9.085 1.00 34.30 H new ATOM 341 N CYS A1170 -6.013 -4.205 8.354 1.00 31.54 N ATOM 342 CA CYS A1170 -5.184 -4.866 7.344 1.00 20.33 C ATOM 343 C CYS A1170 -3.742 -4.400 7.462 1.00 31.20 C ATOM 344 O CYS A1170 -3.480 -3.250 7.809 1.00 41.54 O ATOM 345 CB CYS A1170 -5.676 -4.572 5.920 1.00 20.04 C ATOM 346 SG CYS A1170 -7.462 -4.387 5.744 1.00 33.30 S ATOM 0 H CYS A1170 -6.745 -3.605 7.973 1.00 31.54 H new ATOM 0 HA CYS A1170 -5.254 -5.939 7.525 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -5.196 -3.658 5.569 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -5.345 -5.378 5.265 1.00 20.04 H new ATOM 0 HG CYS A1170 -7.752 -4.140 4.501 1.00 33.30 H new ATOM 351 N THR A1171 -2.817 -5.292 7.138 1.00 13.53 N ATOM 352 CA THR A1171 -1.391 -4.965 7.172 1.00 51.14 C ATOM 353 C THR A1171 -1.094 -3.735 6.308 1.00 25.34 C ATOM 354 O THR A1171 -0.142 -3.001 6.577 1.00 45.43 O ATOM 355 CB THR A1171 -0.544 -6.154 6.703 1.00 43.21 C ATOM 356 OG1 THR A1171 0.836 -5.828 6.691 1.00 64.41 O ATOM 357 CG2 THR A1171 -0.925 -6.649 5.326 1.00 25.44 C ATOM 0 H THR A1171 -3.024 -6.248 6.848 1.00 13.53 H new ATOM 0 HA THR A1171 -1.127 -4.738 8.205 1.00 51.14 H new ATOM 0 HB THR A1171 -0.742 -6.949 7.422 1.00 43.21 H new ATOM 0 HG1 THR A1171 1.353 -6.604 6.390 1.00 64.41 H new ATOM 0 HG21 THR A1171 -0.289 -7.491 5.053 1.00 25.44 H new ATOM 0 HG22 THR A1171 -1.967 -6.968 5.330 1.00 25.44 H new ATOM 0 HG23 THR A1171 -0.794 -5.845 4.601 1.00 25.44 H new ATOM 365 N ASN A1172 -1.927 -3.501 5.282 1.00 64.24 N ATOM 366 CA ASN A1172 -1.756 -2.345 4.405 1.00 51.03 C ATOM 367 C ASN A1172 -2.211 -1.096 5.148 1.00 13.52 C ATOM 368 O ASN A1172 -1.499 -0.092 5.188 1.00 4.51 O ATOM 369 CB ASN A1172 -2.561 -2.518 3.110 1.00 22.23 C ATOM 370 CG ASN A1172 -2.063 -3.674 2.257 1.00 72.54 C ATOM 371 OD1 ASN A1172 -1.652 -4.712 2.774 1.00 70.45 O ATOM 372 ND2 ASN A1172 -2.101 -3.501 0.940 1.00 72.54 N ATOM 0 H ASN A1172 -2.720 -4.097 5.045 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.705 -2.251 4.132 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -3.610 -2.681 3.358 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -2.510 -1.596 2.530 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -1.782 -4.244 0.319 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -2.449 -2.625 0.551 1.00 72.54 H new ATOM 379 N CYS A1173 -3.387 -1.189 5.774 1.00 72.10 N ATOM 380 CA CYS A1173 -3.934 -0.090 6.561 1.00 51.15 C ATOM 381 C CYS A1173 -2.988 0.214 7.724 1.00 32.02 C ATOM 382 O CYS A1173 -2.635 1.368 7.964 1.00 1.11 O ATOM 383 CB CYS A1173 -5.321 -0.469 7.111 1.00 10.14 C ATOM 384 SG CYS A1173 -6.646 -0.491 5.882 1.00 43.23 S ATOM 0 H CYS A1173 -3.978 -2.020 5.748 1.00 72.10 H new ATOM 0 HA CYS A1173 -4.036 0.790 5.926 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -5.256 -1.455 7.572 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -5.588 0.235 7.899 1.00 10.14 H new ATOM 0 HG CYS A1173 -6.588 0.590 5.162 1.00 43.23 H new ATOM 389 N LEU A1174 -2.566 -0.842 8.421 1.00 55.10 N ATOM 390 CA LEU A1174 -1.642 -0.715 9.547 1.00 75.13 C ATOM 391 C LEU A1174 -0.309 -0.101 9.123 1.00 24.23 C ATOM 392 O LEU A1174 0.329 0.601 9.906 1.00 21.32 O ATOM 393 CB LEU A1174 -1.392 -2.080 10.188 1.00 12.24 C ATOM 394 CG LEU A1174 -2.637 -2.783 10.716 1.00 14.22 C ATOM 395 CD1 LEU A1174 -2.295 -4.186 11.195 1.00 44.35 C ATOM 396 CD2 LEU A1174 -3.262 -1.964 11.829 1.00 44.31 C ATOM 0 H LEU A1174 -2.852 -1.801 8.223 1.00 55.10 H new ATOM 0 HA LEU A1174 -2.108 -0.048 10.272 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.912 -2.727 9.453 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.688 -1.955 11.011 1.00 12.24 H new ATOM 0 HG LEU A1174 -3.362 -2.874 9.907 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -3.196 -4.673 11.568 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.887 -4.764 10.366 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.556 -4.128 11.994 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -4.151 -2.474 12.201 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -2.545 -1.847 12.641 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.540 -0.982 11.446 1.00 44.31 H new ATOM 408 N ASP A1175 0.114 -0.384 7.887 1.00 70.13 N ATOM 409 CA ASP A1175 1.384 0.132 7.379 1.00 70.13 C ATOM 410 C ASP A1175 1.352 1.649 7.205 1.00 61.50 C ATOM 411 O ASP A1175 2.390 2.305 7.292 1.00 5.34 O ATOM 412 CB ASP A1175 1.763 -0.547 6.059 1.00 65.04 C ATOM 413 CG ASP A1175 2.995 -1.420 6.197 1.00 40.44 C ATOM 414 OD1 ASP A1175 4.117 -0.882 6.090 1.00 22.11 O ATOM 415 OD2 ASP A1175 2.839 -2.639 6.414 1.00 32.31 O ATOM 0 H ASP A1175 -0.402 -0.964 7.225 1.00 70.13 H new ATOM 0 HA ASP A1175 2.145 -0.102 8.123 1.00 70.13 H new ATOM 0 HB2 ASP A1175 0.927 -1.154 5.711 1.00 65.04 H new ATOM 0 HB3 ASP A1175 1.942 0.214 5.299 1.00 65.04 H new ATOM 420 N LYS A1176 0.159 2.209 6.987 1.00 62.33 N ATOM 421 CA LYS A1176 0.012 3.653 6.836 1.00 41.01 C ATOM 422 C LYS A1176 0.285 4.347 8.168 1.00 53.14 C ATOM 423 O LYS A1176 -0.081 3.830 9.226 1.00 31.05 O ATOM 424 CB LYS A1176 -1.396 4.008 6.349 1.00 50.13 C ATOM 425 CG LYS A1176 -1.558 3.933 4.840 1.00 60.51 C ATOM 426 CD LYS A1176 -2.508 2.816 4.436 1.00 3.32 C ATOM 427 CE LYS A1176 -2.124 2.211 3.095 1.00 44.32 C ATOM 428 NZ LYS A1176 -0.753 1.623 3.113 1.00 42.40 N ATOM 0 H LYS A1176 -0.713 1.685 6.912 1.00 62.33 H new ATOM 0 HA LYS A1176 0.733 3.995 6.094 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -2.113 3.333 6.816 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -1.643 5.016 6.682 1.00 50.13 H new ATOM 0 HG2 LYS A1176 -1.934 4.885 4.466 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -0.585 3.770 4.376 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -2.503 2.039 5.201 1.00 3.32 H new ATOM 0 HD3 LYS A1176 -3.525 3.204 4.383 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -2.845 1.439 2.827 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -2.178 2.979 2.323 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 -0.639 0.982 2.302 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 -0.048 2.385 3.054 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 -0.615 1.091 3.996 1.00 42.40 H new ATOM 442 N PRO A1177 0.928 5.529 8.140 1.00 43.21 N ATOM 443 CA PRO A1177 1.241 6.287 9.357 1.00 21.41 C ATOM 444 C PRO A1177 -0.001 6.562 10.205 1.00 70.01 C ATOM 445 O PRO A1177 0.052 6.504 11.434 1.00 21.51 O ATOM 446 CB PRO A1177 1.846 7.599 8.834 1.00 41.24 C ATOM 447 CG PRO A1177 1.496 7.649 7.383 1.00 60.34 C ATOM 448 CD PRO A1177 1.397 6.221 6.931 1.00 32.13 C ATOM 0 HA PRO A1177 1.915 5.736 10.013 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.438 8.459 9.366 1.00 41.24 H new ATOM 0 HB3 PRO A1177 2.926 7.618 8.978 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.553 8.174 7.227 1.00 60.34 H new ATOM 0 HG3 PRO A1177 2.257 8.186 6.816 1.00 60.34 H new ATOM 0 HD2 PRO A1177 0.698 6.106 6.102 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.359 5.836 6.592 1.00 32.13 H new ATOM 456 N LYS A1178 -1.118 6.865 9.533 1.00 31.54 N ATOM 457 CA LYS A1178 -2.391 7.153 10.202 1.00 31.40 C ATOM 458 C LYS A1178 -2.843 6.020 11.136 1.00 61.44 C ATOM 459 O LYS A1178 -3.632 6.250 12.054 1.00 21.41 O ATOM 460 CB LYS A1178 -3.485 7.443 9.168 1.00 41.11 C ATOM 461 CG LYS A1178 -3.556 6.422 8.039 1.00 75.34 C ATOM 462 CD LYS A1178 -4.979 5.945 7.805 1.00 3.54 C ATOM 463 CE LYS A1178 -5.840 7.028 7.175 1.00 41.41 C ATOM 464 NZ LYS A1178 -6.864 6.458 6.255 1.00 34.11 N ATOM 0 H LYS A1178 -1.165 6.917 8.515 1.00 31.54 H new ATOM 0 HA LYS A1178 -2.225 8.035 10.821 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -4.450 7.477 9.674 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -3.314 8.431 8.741 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -3.165 6.864 7.123 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -2.921 5.569 8.278 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -4.967 5.068 7.158 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -5.419 5.636 8.753 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -6.335 7.600 7.959 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -5.205 7.723 6.626 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -7.430 7.228 5.846 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -6.391 5.933 5.492 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -7.486 5.814 6.784 1.00 34.11 H new ATOM 478 N PHE A1179 -2.343 4.799 10.901 1.00 11.35 N ATOM 479 CA PHE A1179 -2.701 3.642 11.727 1.00 74.35 C ATOM 480 C PHE A1179 -1.521 3.165 12.581 1.00 71.33 C ATOM 481 O PHE A1179 -1.577 2.085 13.175 1.00 74.31 O ATOM 482 CB PHE A1179 -3.224 2.510 10.842 1.00 0.15 C ATOM 483 CG PHE A1179 -4.625 2.756 10.353 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.688 2.789 11.242 1.00 1.32 C ATOM 485 CD2 PHE A1179 -4.878 2.967 9.008 1.00 51.03 C ATOM 486 CE1 PHE A1179 -6.975 3.025 10.797 1.00 71.30 C ATOM 487 CE2 PHE A1179 -6.162 3.204 8.558 1.00 13.33 C ATOM 488 CZ PHE A1179 -7.212 3.233 9.454 1.00 40.42 C ATOM 0 H PHE A1179 -1.690 4.589 10.146 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.490 3.950 12.414 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -2.561 2.388 9.986 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -3.198 1.575 11.402 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -5.508 2.628 12.295 1.00 1.32 H new ATOM 0 HD2 PHE A1179 -4.061 2.946 8.302 1.00 51.03 H new ATOM 0 HE1 PHE A1179 -7.795 3.047 11.500 1.00 71.30 H new ATOM 0 HE2 PHE A1179 -6.345 3.367 7.506 1.00 13.33 H new ATOM 0 HZ PHE A1179 -8.217 3.418 9.104 1.00 40.42 H new ATOM 498 N GLY A1180 -0.462 3.980 12.658 1.00 52.42 N ATOM 499 CA GLY A1180 0.699 3.630 13.461 1.00 4.40 C ATOM 500 C GLY A1180 1.848 3.022 12.671 1.00 41.34 C ATOM 501 O GLY A1180 2.921 2.789 13.232 1.00 12.42 O ATOM 0 H GLY A1180 -0.392 4.876 12.176 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.057 4.525 13.970 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.392 2.925 14.234 1.00 4.40 H new ATOM 505 N GLY A1181 1.640 2.753 11.378 1.00 31.22 N ATOM 506 CA GLY A1181 2.688 2.166 10.565 1.00 64.50 C ATOM 507 C GLY A1181 3.802 3.137 10.233 1.00 12.03 C ATOM 508 O GLY A1181 3.738 4.319 10.580 1.00 23.53 O ATOM 0 H GLY A1181 0.765 2.933 10.885 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.108 1.308 11.090 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.253 1.792 9.638 1.00 64.50 H new ATOM 512 N ARG A1182 4.826 2.628 9.558 1.00 74.12 N ATOM 513 CA ARG A1182 5.978 3.441 9.168 1.00 3.32 C ATOM 514 C ARG A1182 5.964 3.781 7.671 1.00 71.10 C ATOM 515 O ARG A1182 6.913 4.385 7.168 1.00 62.21 O ATOM 516 CB ARG A1182 7.289 2.729 9.530 1.00 0.14 C ATOM 517 CG ARG A1182 7.244 1.977 10.856 1.00 43.10 C ATOM 518 CD ARG A1182 7.510 0.489 10.669 1.00 64.42 C ATOM 519 NE ARG A1182 6.496 -0.156 9.831 1.00 41.53 N ATOM 520 CZ ARG A1182 5.308 -0.578 10.277 1.00 41.12 C ATOM 521 NH1 ARG A1182 4.971 -0.428 11.556 1.00 53.13 N ATOM 522 NH2 ARG A1182 4.452 -1.149 9.435 1.00 71.21 N ATOM 0 H ARG A1182 4.884 1.652 9.267 1.00 74.12 H new ATOM 0 HA ARG A1182 5.911 4.377 9.722 1.00 3.32 H new ATOM 0 HB2 ARG A1182 7.540 2.027 8.735 1.00 0.14 H new ATOM 0 HB3 ARG A1182 8.091 3.466 9.570 1.00 0.14 H new ATOM 0 HG2 ARG A1182 7.984 2.396 11.537 1.00 43.10 H new ATOM 0 HG3 ARG A1182 6.268 2.117 11.321 1.00 43.10 H new ATOM 0 HD2 ARG A1182 8.492 0.352 10.217 1.00 64.42 H new ATOM 0 HD3 ARG A1182 7.536 0.002 11.644 1.00 64.42 H new ATOM 0 HE ARG A1182 6.710 -0.292 8.843 1.00 41.53 H new ATOM 0 HH11 ARG A1182 5.622 0.012 12.207 1.00 53.13 H new ATOM 0 HH12 ARG A1182 4.062 -0.754 11.886 1.00 53.13 H new ATOM 0 HH21 ARG A1182 4.702 -1.264 8.453 1.00 71.21 H new ATOM 0 HH22 ARG A1182 3.545 -1.472 9.771 1.00 71.21 H new ATOM 536 N ASN A1183 4.895 3.397 6.959 1.00 41.43 N ATOM 537 CA ASN A1183 4.778 3.670 5.526 1.00 51.41 C ATOM 538 C ASN A1183 5.801 2.863 4.723 1.00 55.15 C ATOM 539 O ASN A1183 6.591 3.415 3.953 1.00 54.11 O ATOM 540 CB ASN A1183 4.931 5.171 5.244 1.00 4.35 C ATOM 541 CG ASN A1183 4.132 5.621 4.033 1.00 5.11 C ATOM 542 OD1 ASN A1183 2.960 5.979 4.147 1.00 72.14 O ATOM 543 ND2 ASN A1183 4.762 5.603 2.862 1.00 30.02 N ATOM 0 H ASN A1183 4.100 2.896 7.356 1.00 41.43 H new ATOM 0 HA ASN A1183 3.783 3.360 5.208 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.608 5.736 6.118 1.00 4.35 H new ATOM 0 HB3 ASN A1183 5.984 5.402 5.086 1.00 4.35 H new ATOM 0 HD21 ASN A1183 4.273 5.893 2.015 1.00 30.02 H new ATOM 0 HD22 ASN A1183 5.734 5.299 2.811 1.00 30.02 H new ATOM 550 N ILE A1184 5.768 1.542 4.915 1.00 40.13 N ATOM 551 CA ILE A1184 6.671 0.625 4.223 1.00 12.01 C ATOM 552 C ILE A1184 5.971 -0.052 3.041 1.00 42.13 C ATOM 553 O ILE A1184 6.607 -0.372 2.035 1.00 61.31 O ATOM 554 CB ILE A1184 7.207 -0.464 5.183 1.00 12.40 C ATOM 555 CG1 ILE A1184 7.847 0.174 6.421 1.00 34.52 C ATOM 556 CG2 ILE A1184 8.205 -1.366 4.471 1.00 50.22 C ATOM 557 CD1 ILE A1184 9.082 0.993 6.116 1.00 24.03 C ATOM 0 H ILE A1184 5.117 1.082 5.552 1.00 40.13 H new ATOM 0 HA ILE A1184 7.507 1.219 3.854 1.00 12.01 H new ATOM 0 HB ILE A1184 6.365 -1.075 5.508 1.00 12.40 H new ATOM 0 HG12 ILE A1184 7.111 0.812 6.911 1.00 34.52 H new ATOM 0 HG13 ILE A1184 8.109 -0.612 7.129 1.00 34.52 H new ATOM 0 HG21 ILE A1184 8.569 -2.124 5.164 1.00 50.22 H new ATOM 0 HG22 ILE A1184 7.718 -1.851 3.625 1.00 50.22 H new ATOM 0 HG23 ILE A1184 9.044 -0.769 4.113 1.00 50.22 H new ATOM 0 HD11 ILE A1184 9.478 1.412 7.041 1.00 24.03 H new ATOM 0 HD12 ILE A1184 9.836 0.356 5.654 1.00 24.03 H new ATOM 0 HD13 ILE A1184 8.823 1.802 5.433 1.00 24.03 H new ATOM 569 N LYS A1185 4.658 -0.263 3.170 1.00 22.13 N ATOM 570 CA LYS A1185 3.865 -0.898 2.124 1.00 41.34 C ATOM 571 C LYS A1185 3.497 0.115 1.048 1.00 65.14 C ATOM 572 O LYS A1185 3.522 -0.195 -0.145 1.00 73.52 O ATOM 573 CB LYS A1185 2.590 -1.511 2.715 1.00 2.33 C ATOM 574 CG LYS A1185 2.718 -2.978 3.097 1.00 2.30 C ATOM 575 CD LYS A1185 1.416 -3.510 3.681 1.00 72.33 C ATOM 576 CE LYS A1185 1.496 -4.998 3.993 1.00 71.00 C ATOM 577 NZ LYS A1185 1.243 -5.835 2.787 1.00 23.33 N ATOM 0 H LYS A1185 4.122 0.001 3.997 1.00 22.13 H new ATOM 0 HA LYS A1185 4.464 -1.691 1.676 1.00 41.34 H new ATOM 0 HB2 LYS A1185 2.303 -0.941 3.599 1.00 2.33 H new ATOM 0 HB3 LYS A1185 1.781 -1.405 1.992 1.00 2.33 H new ATOM 0 HG2 LYS A1185 2.992 -3.563 2.219 1.00 2.30 H new ATOM 0 HG3 LYS A1185 3.522 -3.099 3.823 1.00 2.30 H new ATOM 0 HD2 LYS A1185 1.176 -2.961 4.592 1.00 72.33 H new ATOM 0 HD3 LYS A1185 0.603 -3.330 2.977 1.00 72.33 H new ATOM 0 HE2 LYS A1185 2.481 -5.231 4.396 1.00 71.00 H new ATOM 0 HE3 LYS A1185 0.768 -5.246 4.766 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 1.390 -6.837 3.023 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 0.264 -5.695 2.466 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 1.899 -5.558 2.029 1.00 23.33 H new ATOM 591 N LYS A1186 3.153 1.328 1.491 1.00 53.34 N ATOM 592 CA LYS A1186 2.769 2.425 0.606 1.00 34.15 C ATOM 593 C LYS A1186 1.870 1.944 -0.538 1.00 12.40 C ATOM 594 O LYS A1186 2.100 2.260 -1.703 1.00 50.03 O ATOM 595 CB LYS A1186 4.005 3.150 0.054 1.00 44.31 C ATOM 596 CG LYS A1186 5.142 2.224 -0.333 1.00 44.13 C ATOM 597 CD LYS A1186 6.410 2.997 -0.662 1.00 34.02 C ATOM 598 CE LYS A1186 7.585 2.532 0.187 1.00 63.44 C ATOM 599 NZ LYS A1186 8.438 1.545 -0.533 1.00 13.23 N ATOM 0 H LYS A1186 3.134 1.575 2.480 1.00 53.34 H new ATOM 0 HA LYS A1186 2.194 3.133 1.203 1.00 34.15 H new ATOM 0 HB2 LYS A1186 3.712 3.733 -0.819 1.00 44.31 H new ATOM 0 HB3 LYS A1186 4.364 3.856 0.803 1.00 44.31 H new ATOM 0 HG2 LYS A1186 5.340 1.530 0.484 1.00 44.13 H new ATOM 0 HG3 LYS A1186 4.847 1.626 -1.195 1.00 44.13 H new ATOM 0 HD2 LYS A1186 6.650 2.871 -1.718 1.00 34.02 H new ATOM 0 HD3 LYS A1186 6.241 4.061 -0.499 1.00 34.02 H new ATOM 0 HE2 LYS A1186 8.189 3.393 0.472 1.00 63.44 H new ATOM 0 HE3 LYS A1186 7.212 2.085 1.108 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 9.226 1.255 0.080 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 7.869 0.711 -0.783 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 8.816 1.979 -1.399 1.00 13.23 H new ATOM 613 N GLN A1187 0.842 1.177 -0.186 1.00 50.40 N ATOM 614 CA GLN A1187 -0.098 0.644 -1.171 1.00 53.33 C ATOM 615 C GLN A1187 -1.535 0.799 -0.687 1.00 74.03 C ATOM 616 O GLN A1187 -1.775 1.289 0.415 1.00 12.15 O ATOM 617 CB GLN A1187 0.212 -0.830 -1.469 1.00 3.24 C ATOM 618 CG GLN A1187 0.474 -1.674 -0.230 1.00 52.22 C ATOM 619 CD GLN A1187 1.316 -2.904 -0.527 1.00 55.31 C ATOM 620 OE1 GLN A1187 2.522 -2.918 -0.278 1.00 35.23 O ATOM 621 NE2 GLN A1187 0.684 -3.944 -1.062 1.00 25.41 N ATOM 0 H GLN A1187 0.637 0.909 0.777 1.00 50.40 H new ATOM 0 HA GLN A1187 0.015 1.215 -2.093 1.00 53.33 H new ATOM 0 HB2 GLN A1187 -0.624 -1.262 -2.019 1.00 3.24 H new ATOM 0 HB3 GLN A1187 1.084 -0.882 -2.121 1.00 3.24 H new ATOM 0 HG2 GLN A1187 0.979 -1.065 0.520 1.00 52.22 H new ATOM 0 HG3 GLN A1187 -0.478 -1.985 0.201 1.00 52.22 H new ATOM 0 HE21 GLN A1187 -0.317 -3.890 -1.252 1.00 25.41 H new ATOM 0 HE22 GLN A1187 1.200 -4.796 -1.282 1.00 25.41 H new ATOM 630 N CYS A1188 -2.492 0.409 -1.527 1.00 24.13 N ATOM 631 CA CYS A1188 -3.905 0.543 -1.189 1.00 3.24 C ATOM 632 C CYS A1188 -4.374 -0.532 -0.210 1.00 43.41 C ATOM 633 O CYS A1188 -3.915 -1.675 -0.243 1.00 40.23 O ATOM 634 CB CYS A1188 -4.770 0.538 -2.453 1.00 43.51 C ATOM 635 SG CYS A1188 -6.551 0.527 -2.145 1.00 5.43 S ATOM 0 H CYS A1188 -2.314 -0.001 -2.444 1.00 24.13 H new ATOM 0 HA CYS A1188 -4.021 1.504 -0.688 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -4.523 1.416 -3.050 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -4.512 -0.337 -3.050 1.00 43.51 H new ATOM 0 HG CYS A1188 -6.859 -0.506 -1.419 1.00 5.43 H new ATOM 641 N CYS A1189 -5.317 -0.133 0.640 1.00 75.03 N ATOM 642 CA CYS A1189 -5.908 -1.032 1.631 1.00 5.21 C ATOM 643 C CYS A1189 -6.377 -2.331 0.966 1.00 3.23 C ATOM 644 O CYS A1189 -6.885 -2.316 -0.156 1.00 42.41 O ATOM 645 CB CYS A1189 -7.072 -0.327 2.333 1.00 1.22 C ATOM 646 SG CYS A1189 -8.296 -1.437 3.056 1.00 22.22 S ATOM 0 H CYS A1189 -5.692 0.815 0.663 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.154 -1.291 2.374 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -6.671 0.312 3.120 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -7.571 0.325 1.616 1.00 1.22 H new ATOM 0 HG CYS A1189 -8.169 -1.439 4.350 1.00 22.22 H new ATOM 651 N LYS A1190 -6.201 -3.454 1.672 1.00 63.32 N ATOM 652 CA LYS A1190 -6.599 -4.779 1.177 1.00 34.02 C ATOM 653 C LYS A1190 -8.085 -4.830 0.800 1.00 55.43 C ATOM 654 O LYS A1190 -8.468 -5.502 -0.160 1.00 3.24 O ATOM 655 CB LYS A1190 -6.309 -5.834 2.245 1.00 42.40 C ATOM 656 CG LYS A1190 -4.829 -6.003 2.547 1.00 41.11 C ATOM 657 CD LYS A1190 -4.412 -7.457 2.441 1.00 65.13 C ATOM 658 CE LYS A1190 -2.917 -7.600 2.201 1.00 71.24 C ATOM 659 NZ LYS A1190 -2.520 -9.019 1.971 1.00 34.12 N ATOM 0 H LYS A1190 -5.780 -3.471 2.601 1.00 63.32 H new ATOM 0 HA LYS A1190 -6.019 -4.983 0.277 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -6.830 -5.562 3.163 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -6.716 -6.791 1.919 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -4.242 -5.402 1.853 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -4.615 -5.632 3.549 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -4.685 -7.981 3.357 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -4.958 -7.933 1.627 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -2.629 -6.999 1.338 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -2.373 -7.206 3.059 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -1.494 -9.071 1.812 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -2.770 -9.589 2.804 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -3.019 -9.388 1.136 1.00 34.12 H new ATOM 673 N MET A1191 -8.906 -4.096 1.549 1.00 51.35 N ATOM 674 CA MET A1191 -10.346 -4.019 1.301 1.00 43.31 C ATOM 675 C MET A1191 -10.679 -2.990 0.216 1.00 42.42 C ATOM 676 O MET A1191 -11.799 -2.972 -0.299 1.00 52.24 O ATOM 677 CB MET A1191 -11.087 -3.664 2.593 1.00 14.25 C ATOM 678 CG MET A1191 -11.479 -4.876 3.424 1.00 23.42 C ATOM 679 SD MET A1191 -12.968 -4.596 4.403 1.00 75.10 S ATOM 680 CE MET A1191 -14.219 -4.576 3.122 1.00 20.12 C ATOM 0 H MET A1191 -8.593 -3.538 2.344 1.00 51.35 H new ATOM 0 HA MET A1191 -10.671 -4.998 0.950 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.457 -3.010 3.195 1.00 14.25 H new ATOM 0 HB3 MET A1191 -11.985 -3.100 2.343 1.00 14.25 H new ATOM 0 HG2 MET A1191 -11.638 -5.728 2.763 1.00 23.42 H new ATOM 0 HG3 MET A1191 -10.656 -5.137 4.089 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.800 -3.657 3.195 1.00 20.12 H new ATOM 0 HE2 MET A1191 -13.740 -4.625 2.144 1.00 20.12 H new ATOM 0 HE3 MET A1191 -14.880 -5.434 3.246 1.00 20.12 H new ATOM 690 N ARG A1192 -9.721 -2.116 -0.106 1.00 70.22 N ATOM 691 CA ARG A1192 -9.942 -1.069 -1.102 1.00 25.23 C ATOM 692 C ARG A1192 -9.243 -1.343 -2.439 1.00 34.10 C ATOM 693 O ARG A1192 -9.473 -0.615 -3.407 1.00 21.31 O ATOM 694 CB ARG A1192 -9.475 0.282 -0.551 1.00 33.42 C ATOM 695 CG ARG A1192 -10.309 0.789 0.615 1.00 44.45 C ATOM 696 CD ARG A1192 -10.034 2.257 0.912 1.00 14.13 C ATOM 697 NE ARG A1192 -8.655 2.482 1.353 1.00 74.11 N ATOM 698 CZ ARG A1192 -7.683 2.975 0.577 1.00 43.31 C ATOM 699 NH1 ARG A1192 -7.922 3.301 -0.692 1.00 72.34 N ATOM 700 NH2 ARG A1192 -6.461 3.141 1.073 1.00 41.14 N ATOM 0 H ARG A1192 -8.789 -2.114 0.308 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.014 -1.054 -1.301 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -8.436 0.195 -0.232 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -9.501 1.020 -1.353 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -11.367 0.656 0.390 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -10.094 0.193 1.502 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -10.230 2.850 0.018 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -10.722 2.605 1.682 1.00 14.13 H new ATOM 0 HE ARG A1192 -8.420 2.247 2.317 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -8.855 3.176 -1.084 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -7.172 3.676 -1.272 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -6.266 2.893 2.043 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -5.718 3.517 0.484 1.00 41.14 H new ATOM 714 N LYS A1193 -8.398 -2.381 -2.508 1.00 12.22 N ATOM 715 CA LYS A1193 -7.695 -2.707 -3.752 1.00 53.34 C ATOM 716 C LYS A1193 -8.678 -3.084 -4.859 1.00 23.33 C ATOM 717 O LYS A1193 -9.460 -4.027 -4.724 1.00 10.03 O ATOM 718 CB LYS A1193 -6.693 -3.844 -3.524 1.00 52.02 C ATOM 719 CG LYS A1193 -5.259 -3.467 -3.867 1.00 53.24 C ATOM 720 CD LYS A1193 -5.076 -3.261 -5.365 1.00 44.42 C ATOM 721 CE LYS A1193 -4.444 -1.910 -5.677 1.00 34.02 C ATOM 722 NZ LYS A1193 -5.357 -1.034 -6.468 1.00 62.42 N ATOM 0 H LYS A1193 -8.188 -3.001 -1.726 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.150 -1.818 -4.069 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -6.739 -4.154 -2.480 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -6.988 -4.704 -4.125 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -4.986 -2.554 -3.338 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -4.584 -4.250 -3.522 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -4.450 -4.057 -5.768 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -6.043 -3.334 -5.863 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -4.179 -1.410 -4.745 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -3.518 -2.063 -6.231 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -4.795 -0.426 -7.098 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -5.998 -1.624 -7.037 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -5.915 -0.441 -5.821 1.00 62.42 H new ATOM 736 N CYS A1194 -8.618 -2.327 -5.953 1.00 72.22 N ATOM 737 CA CYS A1194 -9.483 -2.547 -7.105 1.00 10.42 C ATOM 738 C CYS A1194 -9.261 -3.934 -7.715 1.00 55.20 C ATOM 739 O CYS A1194 -8.126 -4.342 -7.973 1.00 0.11 O ATOM 740 CB CYS A1194 -9.223 -1.467 -8.156 1.00 74.32 C ATOM 741 SG CYS A1194 -10.187 -1.656 -9.670 1.00 0.41 S ATOM 0 H CYS A1194 -7.970 -1.547 -6.063 1.00 72.22 H new ATOM 0 HA CYS A1194 -10.518 -2.492 -6.769 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -9.441 -0.492 -7.720 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.163 -1.472 -8.411 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.216 -2.416 -9.437 1.00 0.41 H new ATOM 746 N GLN A1195 -10.364 -4.648 -7.935 1.00 50.31 N ATOM 747 CA GLN A1195 -10.333 -5.997 -8.509 1.00 20.22 C ATOM 748 C GLN A1195 -10.455 -5.985 -10.044 1.00 15.11 C ATOM 749 O GLN A1195 -10.330 -7.030 -10.684 1.00 43.24 O ATOM 750 CB GLN A1195 -11.460 -6.842 -7.907 1.00 45.21 C ATOM 751 CG GLN A1195 -11.324 -8.333 -8.183 1.00 43.13 C ATOM 752 CD GLN A1195 -12.418 -8.859 -9.095 1.00 50.42 C ATOM 753 OE1 GLN A1195 -12.165 -9.210 -10.247 1.00 71.33 O ATOM 754 NE2 GLN A1195 -13.644 -8.917 -8.583 1.00 42.22 N ATOM 0 H GLN A1195 -11.303 -4.311 -7.722 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.365 -6.433 -8.263 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -11.485 -6.682 -6.829 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -12.414 -6.494 -8.303 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -10.352 -8.528 -8.637 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -11.350 -8.878 -7.239 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -13.810 -8.616 -7.623 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -14.418 -9.263 -9.151 1.00 42.22 H new ATOM 763 N ASN A1196 -10.697 -4.809 -10.627 1.00 31.31 N ATOM 764 CA ASN A1196 -10.836 -4.677 -12.080 1.00 53.34 C ATOM 765 C ASN A1196 -10.249 -3.349 -12.565 1.00 64.12 C ATOM 766 O ASN A1196 -10.941 -2.534 -13.178 1.00 45.42 O ATOM 767 CB ASN A1196 -12.313 -4.784 -12.481 1.00 22.42 C ATOM 768 CG ASN A1196 -12.916 -6.136 -12.142 1.00 75.25 C ATOM 769 OD1 ASN A1196 -12.784 -7.094 -12.903 1.00 22.25 O ATOM 770 ND2 ASN A1196 -13.578 -6.222 -10.993 1.00 70.22 N ATOM 0 H ASN A1196 -10.801 -3.933 -10.115 1.00 31.31 H new ATOM 0 HA ASN A1196 -10.281 -5.487 -12.553 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -12.880 -4.001 -11.977 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -12.408 -4.607 -13.552 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -14.000 -7.107 -10.713 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -13.664 -5.403 -10.391 1.00 70.22 H new ATOM 777 N LEU A1197 -8.965 -3.141 -12.274 1.00 41.12 N ATOM 778 CA LEU A1197 -8.266 -1.914 -12.663 1.00 72.14 C ATOM 779 C LEU A1197 -8.200 -1.739 -14.179 1.00 40.01 C ATOM 780 O LEU A1197 -8.140 -2.715 -14.928 1.00 52.43 O ATOM 781 CB LEU A1197 -6.843 -1.916 -12.100 1.00 60.33 C ATOM 782 CG LEU A1197 -6.732 -1.591 -10.611 1.00 11.12 C ATOM 783 CD1 LEU A1197 -5.328 -1.877 -10.114 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.102 -0.140 -10.351 1.00 53.11 C ATOM 0 H LEU A1197 -8.384 -3.809 -11.768 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.836 -1.081 -12.250 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.401 -2.897 -12.275 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -6.247 -1.194 -12.659 1.00 60.33 H new ATOM 0 HG LEU A1197 -7.431 -2.225 -10.066 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -5.263 -1.641 -9.052 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -5.096 -2.931 -10.267 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.615 -1.265 -10.666 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -7.017 0.072 -9.285 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.428 0.512 -10.906 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.127 0.038 -10.675 1.00 53.11 H new