USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=16 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: A1171 THR OG1 : rot 180:sc= 0.102 USER MOD Set 1.2: A1185 LYS NZ :NH3+ 180:sc= -0.123 (180deg=-0.123) USER MOD Set 1.3: A1190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A1167 CYS SG : rot 131:sc= -1.29! USER MOD Set 2.2: A1170 CYS SG : rot -14:sc= 1.07 USER MOD Set 2.3: A1173 CYS SG : rot 52:sc= 0.473 USER MOD Set 2.4: A1189 CYS SG : rot 105:sc= -0.658 USER MOD Set 3.1: A1155 CYS SG : rot -54:sc= -0.404 USER MOD Set 3.2: A1158 CYS SG : rot 111:sc= 0.972 USER MOD Set 3.3: A1161 CYS SG : rot 88:sc= -3.41! USER MOD Set 3.4: A1194 CYS SG : rot 17:sc= 0.328 USER MOD Set 3.5: A1195 GLN : amide:sc= 0.165 K(o=-2.3,f=-13!) USER MOD Single : A1157 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.33) USER MOD Single : A1162 GLN :FLIP amide:sc= 0.579 F(o=-0.026,f=0.58) USER MOD Single : A1172 ASN : amide:sc= -2.18 K(o=-2.2,f=-3.9!) USER MOD Single : A1176 LYS NZ :NH3+ -140:sc= 0.0746 (180deg=-0.718) USER MOD Single : A1178 LYS NZ :NH3+ -179:sc= 0.0159 (180deg=0.0158) USER MOD Single : A1183 ASN : amide:sc= -0.259 K(o=-0.26,f=-5.5!) USER MOD Single : A1186 LYS NZ :NH3+ -178:sc= 0.547 (180deg=0.542) USER MOD Single : A1187 GLN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A1188 CYS SG : rot 180:sc= 0 USER MOD Single : A1191 MET CE :methyl -140:sc= -0.9 (180deg=-4.38!) USER MOD Single : A1193 LYS NZ :NH3+ -142:sc=-0.00639 (180deg=-1.58!) USER MOD Single : A1196 ASN : amide:sc= -0.0998 X(o=-0.1,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -6.230 2.832 -12.998 1.00 33.42 N ATOM 112 CA ARG A1153 -7.388 3.571 -12.512 1.00 41.43 C ATOM 113 C ARG A1153 -8.453 2.630 -11.958 1.00 11.15 C ATOM 114 O ARG A1153 -8.777 1.617 -12.579 1.00 31.14 O ATOM 115 CB ARG A1153 -7.982 4.402 -13.656 1.00 14.30 C ATOM 116 CG ARG A1153 -8.265 5.850 -13.287 1.00 73.14 C ATOM 117 CD ARG A1153 -7.024 6.557 -12.760 1.00 1.24 C ATOM 118 NE ARG A1153 -7.301 7.310 -11.534 1.00 23.40 N ATOM 119 CZ ARG A1153 -6.792 7.019 -10.330 1.00 2.31 C ATOM 120 NH1 ARG A1153 -5.960 5.992 -10.166 1.00 44.11 N ATOM 121 NH2 ARG A1153 -7.117 7.767 -9.280 1.00 74.32 N ATOM 0 HA ARG A1153 -7.060 4.227 -11.705 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -7.294 4.381 -14.501 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -8.909 3.934 -13.988 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -8.640 6.380 -14.162 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -9.050 5.885 -12.532 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -6.243 5.822 -12.565 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -6.641 7.235 -13.523 1.00 1.24 H new ATOM 0 HE ARG A1153 -7.926 8.113 -11.602 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -5.701 5.413 -10.965 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -5.582 5.785 -9.242 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -7.751 8.558 -9.394 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -6.732 7.550 -8.361 1.00 74.32 H new ATOM 135 N ARG A1154 -8.999 2.972 -10.792 1.00 52.40 N ATOM 136 CA ARG A1154 -10.033 2.154 -10.163 1.00 62.14 C ATOM 137 C ARG A1154 -11.273 2.077 -11.060 1.00 30.30 C ATOM 138 O ARG A1154 -11.710 3.090 -11.613 1.00 74.42 O ATOM 139 CB ARG A1154 -10.407 2.732 -8.791 1.00 45.41 C ATOM 140 CG ARG A1154 -10.990 4.137 -8.843 1.00 23.13 C ATOM 141 CD ARG A1154 -11.569 4.550 -7.499 1.00 3.20 C ATOM 142 NE ARG A1154 -13.012 4.312 -7.424 1.00 15.22 N ATOM 143 CZ ARG A1154 -13.668 4.014 -6.298 1.00 23.13 C ATOM 144 NH1 ARG A1154 -13.022 3.923 -5.138 1.00 2.55 N ATOM 145 NH2 ARG A1154 -14.981 3.811 -6.333 1.00 40.44 N ATOM 0 H ARG A1154 -8.743 3.807 -10.266 1.00 52.40 H new ATOM 0 HA ARG A1154 -9.641 1.147 -10.024 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -11.129 2.069 -8.315 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -9.519 2.743 -8.159 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -10.214 4.843 -9.139 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -11.768 4.181 -9.605 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -11.069 3.997 -6.704 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -11.367 5.607 -7.327 1.00 3.20 H new ATOM 0 HE ARG A1154 -13.552 4.378 -8.287 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -12.015 4.081 -5.101 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -13.534 3.695 -4.286 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -15.485 3.883 -7.217 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -15.485 3.583 -5.476 1.00 40.44 H new ATOM 159 N CYS A1155 -11.830 0.873 -11.213 1.00 23.05 N ATOM 160 CA CYS A1155 -13.010 0.661 -12.051 1.00 1.11 C ATOM 161 C CYS A1155 -14.221 1.444 -11.545 1.00 10.20 C ATOM 162 O CYS A1155 -14.944 2.050 -12.338 1.00 75.34 O ATOM 163 CB CYS A1155 -13.351 -0.829 -12.131 1.00 33.23 C ATOM 164 SG CYS A1155 -13.582 -1.628 -10.529 1.00 53.42 S ATOM 0 H CYS A1155 -11.479 0.027 -10.764 1.00 23.05 H new ATOM 0 HA CYS A1155 -12.766 1.031 -13.047 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.261 -0.950 -12.718 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.554 -1.343 -12.668 1.00 33.23 H new ATOM 0 HG CYS A1155 -12.534 -1.423 -9.787 1.00 53.42 H new ATOM 169 N GLY A1156 -14.441 1.432 -10.227 1.00 23.42 N ATOM 170 CA GLY A1156 -15.569 2.146 -9.650 1.00 72.43 C ATOM 171 C GLY A1156 -16.791 1.265 -9.416 1.00 43.32 C ATOM 172 O GLY A1156 -17.786 1.730 -8.856 1.00 3.12 O ATOM 0 H GLY A1156 -13.857 0.940 -9.551 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.263 2.588 -8.702 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -15.845 2.968 -10.310 1.00 72.43 H new ATOM 176 N GLN A1157 -16.734 0.001 -9.857 1.00 34.13 N ATOM 177 CA GLN A1157 -17.867 -0.918 -9.698 1.00 5.23 C ATOM 178 C GLN A1157 -17.516 -2.166 -8.873 1.00 54.32 C ATOM 179 O GLN A1157 -18.415 -2.901 -8.460 1.00 24.22 O ATOM 180 CB GLN A1157 -18.400 -1.338 -11.071 1.00 1.14 C ATOM 181 CG GLN A1157 -19.060 -0.207 -11.846 1.00 4.15 C ATOM 182 CD GLN A1157 -18.056 0.679 -12.562 1.00 45.04 C ATOM 183 OE1 GLN A1157 -17.284 0.210 -13.399 1.00 51.54 O ATOM 184 NE2 GLN A1157 -18.059 1.968 -12.237 1.00 12.22 N ATOM 0 H GLN A1157 -15.922 -0.405 -10.323 1.00 34.13 H new ATOM 0 HA GLN A1157 -18.635 -0.376 -9.147 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -17.577 -1.739 -11.663 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -19.121 -2.145 -10.939 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -19.752 -0.628 -12.576 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -19.651 0.401 -11.161 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -18.715 2.316 -11.538 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -17.405 2.609 -12.687 1.00 12.22 H new ATOM 193 N CYS A1158 -16.224 -2.410 -8.632 1.00 21.34 N ATOM 194 CA CYS A1158 -15.805 -3.582 -7.858 1.00 11.34 C ATOM 195 C CYS A1158 -16.063 -3.374 -6.364 1.00 1.24 C ATOM 196 O CYS A1158 -16.087 -2.241 -5.881 1.00 10.22 O ATOM 197 CB CYS A1158 -14.325 -3.899 -8.109 1.00 53.42 C ATOM 198 SG CYS A1158 -13.168 -2.791 -7.272 1.00 41.45 S ATOM 0 H CYS A1158 -15.459 -1.819 -8.957 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.400 -4.433 -8.190 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -14.126 -4.921 -7.788 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -14.135 -3.859 -9.182 1.00 53.42 H new ATOM 0 HG CYS A1158 -12.543 -3.443 -6.337 1.00 41.45 H new ATOM 203 N PRO A1159 -16.275 -4.476 -5.612 1.00 13.34 N ATOM 204 CA PRO A1159 -16.548 -4.421 -4.165 1.00 52.32 C ATOM 205 C PRO A1159 -15.456 -3.699 -3.371 1.00 10.44 C ATOM 206 O PRO A1159 -15.741 -3.074 -2.348 1.00 34.34 O ATOM 207 CB PRO A1159 -16.628 -5.894 -3.752 1.00 33.14 C ATOM 208 CG PRO A1159 -16.940 -6.630 -5.009 1.00 53.42 C ATOM 209 CD PRO A1159 -16.275 -5.863 -6.115 1.00 42.13 C ATOM 0 HA PRO A1159 -17.456 -3.855 -3.957 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.687 -6.234 -3.319 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -17.401 -6.052 -3.000 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -16.567 -7.653 -4.965 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -18.017 -6.690 -5.169 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -15.263 -6.223 -6.303 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.824 -5.951 -7.053 1.00 42.13 H new ATOM 217 N GLY A1160 -14.216 -3.763 -3.863 1.00 75.21 N ATOM 218 CA GLY A1160 -13.114 -3.084 -3.200 1.00 43.32 C ATOM 219 C GLY A1160 -13.210 -1.576 -3.362 1.00 4.10 C ATOM 220 O GLY A1160 -12.871 -0.823 -2.449 1.00 54.55 O ATOM 0 H GLY A1160 -13.958 -4.273 -4.708 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -13.114 -3.338 -2.140 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -12.168 -3.436 -3.612 1.00 43.32 H new ATOM 224 N CYS A1161 -13.701 -1.145 -4.527 1.00 41.14 N ATOM 225 CA CYS A1161 -13.883 0.272 -4.831 1.00 54.42 C ATOM 226 C CYS A1161 -15.034 0.865 -4.015 1.00 32.30 C ATOM 227 O CYS A1161 -15.109 2.081 -3.827 1.00 53.41 O ATOM 228 CB CYS A1161 -14.143 0.469 -6.329 1.00 63.34 C ATOM 229 SG CYS A1161 -12.644 0.663 -7.321 1.00 42.02 S ATOM 0 H CYS A1161 -13.982 -1.769 -5.283 1.00 41.14 H new ATOM 0 HA CYS A1161 -12.966 0.795 -4.560 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -14.706 -0.386 -6.704 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -14.772 1.349 -6.465 1.00 63.34 H new ATOM 0 HG CYS A1161 -12.211 -0.507 -7.687 1.00 42.02 H new ATOM 234 N GLN A1162 -15.931 -0.003 -3.531 1.00 33.23 N ATOM 235 CA GLN A1162 -17.081 0.427 -2.739 1.00 41.33 C ATOM 236 C GLN A1162 -16.686 0.731 -1.293 1.00 43.34 C ATOM 237 O GLN A1162 -17.418 1.438 -0.601 1.00 22.15 O ATOM 238 CB GLN A1162 -18.180 -0.643 -2.761 1.00 63.42 C ATOM 239 CG GLN A1162 -18.540 -1.139 -4.157 1.00 70.05 C ATOM 240 CD GLN A1162 -18.649 -0.017 -5.178 1.00 21.00 C ATOM 241 OE1 GLN A1162 -19.728 0.756 -5.102 1.00 64.12 O flip ATOM 242 NE2 GLN A1162 -17.770 0.152 -6.025 1.00 3.02 N flip ATOM 0 H GLN A1162 -15.878 -1.011 -3.677 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.461 1.344 -3.189 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -17.858 -1.492 -2.158 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -19.075 -0.238 -2.289 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -17.785 -1.852 -4.489 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -19.488 -1.675 -4.113 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -16.958 -0.465 -6.047 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -17.854 0.909 -6.704 1.00 3.02 H new ATOM 251 N VAL A1163 -15.520 0.248 -0.843 1.00 50.22 N ATOM 252 CA VAL A1163 -15.052 0.541 0.512 1.00 63.43 C ATOM 253 C VAL A1163 -14.529 1.984 0.533 1.00 1.44 C ATOM 254 O VAL A1163 -13.535 2.300 -0.124 1.00 23.11 O ATOM 255 CB VAL A1163 -13.974 -0.473 0.973 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.208 0.012 2.193 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.615 -1.820 1.259 1.00 45.33 C ATOM 0 H VAL A1163 -14.893 -0.340 -1.392 1.00 50.22 H new ATOM 0 HA VAL A1163 -15.876 0.442 1.219 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.255 -0.574 0.160 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.465 -0.734 2.476 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -12.708 0.952 1.959 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -13.901 0.166 3.020 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -13.850 -2.526 1.582 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.361 -1.708 2.046 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -15.095 -2.194 0.355 1.00 45.33 H new ATOM 267 N PRO A1164 -15.241 2.896 1.234 1.00 71.44 N ATOM 268 CA PRO A1164 -14.896 4.325 1.271 1.00 13.33 C ATOM 269 C PRO A1164 -13.868 4.738 2.324 1.00 5.30 C ATOM 270 O PRO A1164 -13.396 5.876 2.300 1.00 5.32 O ATOM 271 CB PRO A1164 -16.244 4.972 1.579 1.00 15.33 C ATOM 272 CG PRO A1164 -16.947 3.981 2.441 1.00 1.11 C ATOM 273 CD PRO A1164 -16.483 2.618 1.991 1.00 3.53 C ATOM 0 HA PRO A1164 -14.417 4.624 0.339 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -16.118 5.925 2.092 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -16.805 5.173 0.666 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -16.710 4.144 3.492 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -18.028 4.076 2.339 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.295 1.960 2.839 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.230 2.128 1.367 1.00 3.53 H new ATOM 281 N GLU A1165 -13.528 3.850 3.258 1.00 65.22 N ATOM 282 CA GLU A1165 -12.567 4.211 4.299 1.00 11.42 C ATOM 283 C GLU A1165 -11.702 3.028 4.721 1.00 40.05 C ATOM 284 O GLU A1165 -12.154 1.881 4.733 1.00 72.02 O ATOM 285 CB GLU A1165 -13.307 4.820 5.503 1.00 54.32 C ATOM 286 CG GLU A1165 -13.307 3.955 6.756 1.00 74.44 C ATOM 287 CD GLU A1165 -12.497 4.560 7.890 1.00 4.32 C ATOM 288 OE1 GLU A1165 -11.330 4.942 7.654 1.00 4.11 O ATOM 289 OE2 GLU A1165 -13.030 4.651 9.015 1.00 55.43 O ATOM 0 H GLU A1165 -13.893 2.899 3.316 1.00 65.22 H new ATOM 0 HA GLU A1165 -11.888 4.957 3.886 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -12.853 5.782 5.742 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -14.339 5.018 5.215 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -14.334 3.806 7.089 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -12.905 2.972 6.513 1.00 74.44 H new ATOM 296 N ASP A1166 -10.454 3.333 5.084 1.00 52.42 N ATOM 297 CA ASP A1166 -9.509 2.322 5.536 1.00 54.32 C ATOM 298 C ASP A1166 -10.045 1.599 6.768 1.00 24.20 C ATOM 299 O ASP A1166 -10.465 2.228 7.740 1.00 4.45 O ATOM 300 CB ASP A1166 -8.154 2.955 5.854 1.00 42.32 C ATOM 301 CG ASP A1166 -7.349 3.272 4.608 1.00 32.30 C ATOM 302 OD1 ASP A1166 -7.655 4.285 3.943 1.00 11.20 O ATOM 303 OD2 ASP A1166 -6.410 2.509 4.298 1.00 1.41 O ATOM 0 H ASP A1166 -10.077 4.281 5.072 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.379 1.598 4.732 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -8.310 3.871 6.423 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.582 2.279 6.489 1.00 42.32 H new ATOM 308 N CYS A1167 -10.025 0.275 6.713 1.00 33.35 N ATOM 309 CA CYS A1167 -10.507 -0.556 7.819 1.00 12.51 C ATOM 310 C CYS A1167 -9.727 -0.291 9.103 1.00 3.00 C ATOM 311 O CYS A1167 -10.288 -0.301 10.200 1.00 75.13 O ATOM 312 CB CYS A1167 -10.422 -2.038 7.459 1.00 20.21 C ATOM 313 SG CYS A1167 -10.465 -2.356 5.685 1.00 63.11 S ATOM 0 H CYS A1167 -9.679 -0.254 5.912 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.550 -0.289 7.992 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -9.501 -2.451 7.871 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -11.249 -2.566 7.934 1.00 20.21 H new ATOM 0 HG CYS A1167 -9.489 -3.152 5.363 1.00 63.11 H new ATOM 318 N GLY A1168 -8.423 -0.056 8.946 1.00 61.35 N ATOM 319 CA GLY A1168 -7.563 0.209 10.079 1.00 61.11 C ATOM 320 C GLY A1168 -6.982 -1.047 10.708 1.00 41.43 C ATOM 321 O GLY A1168 -6.282 -0.958 11.717 1.00 11.55 O ATOM 0 H GLY A1168 -7.949 -0.046 8.043 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -6.746 0.857 9.761 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.128 0.755 10.834 1.00 61.11 H new ATOM 325 N VAL A1169 -7.283 -2.223 10.135 1.00 5.14 N ATOM 326 CA VAL A1169 -6.784 -3.484 10.683 1.00 10.32 C ATOM 327 C VAL A1169 -5.893 -4.254 9.701 1.00 1.33 C ATOM 328 O VAL A1169 -4.951 -4.931 10.119 1.00 0.21 O ATOM 329 CB VAL A1169 -7.935 -4.401 11.151 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.599 -3.832 12.397 1.00 64.11 C ATOM 331 CG2 VAL A1169 -8.958 -4.604 10.040 1.00 34.30 C ATOM 0 H VAL A1169 -7.863 -2.322 9.302 1.00 5.14 H new ATOM 0 HA VAL A1169 -6.175 -3.202 11.542 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.512 -5.374 11.400 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -9.408 -4.492 12.712 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -7.863 -3.752 13.197 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -9.002 -2.844 12.175 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.758 -5.254 10.396 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -9.376 -3.640 9.749 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -8.473 -5.064 9.179 1.00 34.30 H new ATOM 341 N CYS A1170 -6.189 -4.151 8.396 1.00 31.54 N ATOM 342 CA CYS A1170 -5.400 -4.841 7.370 1.00 20.33 C ATOM 343 C CYS A1170 -3.978 -4.359 7.357 1.00 31.20 C ATOM 344 O CYS A1170 -3.667 -3.230 7.730 1.00 41.54 O ATOM 345 CB CYS A1170 -5.987 -4.663 5.963 1.00 20.04 C ATOM 346 SG CYS A1170 -7.760 -4.350 5.899 1.00 33.30 S ATOM 0 H CYS A1170 -6.965 -3.599 8.030 1.00 31.54 H new ATOM 0 HA CYS A1170 -5.431 -5.898 7.633 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -5.471 -3.836 5.475 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -5.772 -5.560 5.382 1.00 20.04 H new ATOM 0 HG CYS A1170 -8.291 -4.623 7.054 1.00 33.30 H new ATOM 351 N THR A1171 -3.130 -5.261 6.923 1.00 13.53 N ATOM 352 CA THR A1171 -1.711 -5.024 6.834 1.00 51.14 C ATOM 353 C THR A1171 -1.357 -3.779 6.054 1.00 25.34 C ATOM 354 O THR A1171 -0.400 -3.086 6.400 1.00 45.43 O ATOM 355 CB THR A1171 -1.021 -6.216 6.204 1.00 43.21 C ATOM 356 OG1 THR A1171 -1.931 -7.269 5.921 1.00 64.41 O ATOM 357 CG2 THR A1171 0.025 -6.743 7.106 1.00 25.44 C ATOM 0 H THR A1171 -3.411 -6.193 6.618 1.00 13.53 H new ATOM 0 HA THR A1171 -1.365 -4.874 7.857 1.00 51.14 H new ATOM 0 HB THR A1171 -0.582 -5.865 5.270 1.00 43.21 H new ATOM 0 HG1 THR A1171 -1.448 -8.018 5.514 1.00 64.41 H new ATOM 0 HG21 THR A1171 0.511 -7.599 6.638 1.00 25.44 H new ATOM 0 HG22 THR A1171 0.765 -5.966 7.298 1.00 25.44 H new ATOM 0 HG23 THR A1171 -0.429 -7.053 8.047 1.00 25.44 H new ATOM 365 N ASN A1172 -2.115 -3.484 5.007 1.00 64.24 N ATOM 366 CA ASN A1172 -1.822 -2.304 4.226 1.00 51.03 C ATOM 367 C ASN A1172 -2.289 -1.071 4.990 1.00 13.52 C ATOM 368 O ASN A1172 -1.601 -0.049 5.018 1.00 4.51 O ATOM 369 CB ASN A1172 -2.472 -2.366 2.840 1.00 22.23 C ATOM 370 CG ASN A1172 -1.446 -2.386 1.719 1.00 72.54 C ATOM 371 OD1 ASN A1172 -0.415 -1.715 1.793 1.00 70.45 O ATOM 372 ND2 ASN A1172 -1.725 -3.156 0.672 1.00 72.54 N ATOM 0 H ASN A1172 -2.915 -4.032 4.690 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.745 -2.249 4.068 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -3.096 -3.257 2.774 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -3.130 -1.506 2.711 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -1.074 -3.208 -0.111 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -2.591 -3.695 0.652 1.00 72.54 H new ATOM 379 N CYS A1173 -3.450 -1.192 5.645 1.00 72.10 N ATOM 380 CA CYS A1173 -3.997 -0.108 6.453 1.00 51.15 C ATOM 381 C CYS A1173 -3.014 0.218 7.578 1.00 32.02 C ATOM 382 O CYS A1173 -2.661 1.377 7.793 1.00 1.11 O ATOM 383 CB CYS A1173 -5.348 -0.526 7.065 1.00 10.14 C ATOM 384 SG CYS A1173 -6.757 -0.466 5.935 1.00 43.23 S ATOM 0 H CYS A1173 -4.026 -2.034 5.628 1.00 72.10 H new ATOM 0 HA CYS A1173 -4.151 0.767 5.821 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -5.255 -1.541 7.451 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -5.558 0.121 7.917 1.00 10.14 H new ATOM 0 HG CYS A1173 -6.471 -1.122 4.849 1.00 43.23 H new ATOM 389 N LEU A1174 -2.558 -0.828 8.273 1.00 55.10 N ATOM 390 CA LEU A1174 -1.595 -0.677 9.366 1.00 75.13 C ATOM 391 C LEU A1174 -0.266 -0.100 8.886 1.00 24.23 C ATOM 392 O LEU A1174 0.411 0.601 9.638 1.00 21.32 O ATOM 393 CB LEU A1174 -1.345 -2.019 10.059 1.00 12.24 C ATOM 394 CG LEU A1174 -2.592 -2.734 10.574 1.00 14.22 C ATOM 395 CD1 LEU A1174 -2.221 -3.761 11.631 1.00 44.35 C ATOM 396 CD2 LEU A1174 -3.596 -1.729 11.120 1.00 44.31 C ATOM 0 H LEU A1174 -2.842 -1.792 8.097 1.00 55.10 H new ATOM 0 HA LEU A1174 -2.034 0.025 10.075 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.831 -2.679 9.360 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.669 -1.855 10.898 1.00 12.24 H new ATOM 0 HG LEU A1174 -3.058 -3.260 9.741 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -3.123 -4.260 11.986 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.544 -4.498 11.200 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.730 -3.262 12.466 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -4.478 -2.256 11.483 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -3.144 -1.172 11.940 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.886 -1.038 10.329 1.00 44.31 H new ATOM 408 N ASP A1175 0.112 -0.405 7.641 1.00 70.13 N ATOM 409 CA ASP A1175 1.373 0.085 7.087 1.00 70.13 C ATOM 410 C ASP A1175 1.343 1.602 6.885 1.00 61.50 C ATOM 411 O ASP A1175 2.381 2.259 6.956 1.00 5.34 O ATOM 412 CB ASP A1175 1.716 -0.653 5.778 1.00 65.04 C ATOM 413 CG ASP A1175 1.906 0.274 4.586 1.00 40.44 C ATOM 414 OD1 ASP A1175 3.023 0.806 4.419 1.00 32.31 O ATOM 415 OD2 ASP A1175 0.938 0.463 3.819 1.00 22.11 O ATOM 0 H ASP A1175 -0.434 -0.985 7.004 1.00 70.13 H new ATOM 0 HA ASP A1175 2.163 -0.127 7.808 1.00 70.13 H new ATOM 0 HB2 ASP A1175 2.627 -1.232 5.926 1.00 65.04 H new ATOM 0 HB3 ASP A1175 0.920 -1.363 5.552 1.00 65.04 H new ATOM 420 N LYS A1176 0.150 2.156 6.656 1.00 62.33 N ATOM 421 CA LYS A1176 0.000 3.596 6.473 1.00 41.01 C ATOM 422 C LYS A1176 0.276 4.327 7.787 1.00 53.14 C ATOM 423 O LYS A1176 -0.065 3.829 8.862 1.00 31.05 O ATOM 424 CB LYS A1176 -1.408 3.932 5.970 1.00 50.13 C ATOM 425 CG LYS A1176 -1.647 3.542 4.520 1.00 60.51 C ATOM 426 CD LYS A1176 -3.115 3.666 4.145 1.00 3.32 C ATOM 427 CE LYS A1176 -3.416 2.974 2.824 1.00 44.32 C ATOM 428 NZ LYS A1176 -3.660 1.515 2.999 1.00 42.40 N ATOM 0 H LYS A1176 -0.721 1.629 6.594 1.00 62.33 H new ATOM 0 HA LYS A1176 0.723 3.925 5.726 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -2.140 3.425 6.599 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -1.579 5.003 6.082 1.00 50.13 H new ATOM 0 HG2 LYS A1176 -1.049 4.178 3.868 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -1.314 2.517 4.358 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -3.730 3.231 4.933 1.00 3.32 H new ATOM 0 HD3 LYS A1176 -3.385 4.720 4.074 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -4.291 3.435 2.365 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -2.581 3.122 2.139 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 -3.213 0.992 2.219 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 -3.254 1.201 3.904 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 -4.684 1.331 2.996 1.00 42.40 H new ATOM 442 N PRO A1177 0.902 5.517 7.720 1.00 43.21 N ATOM 443 CA PRO A1177 1.229 6.314 8.911 1.00 21.41 C ATOM 444 C PRO A1177 0.003 6.624 9.770 1.00 70.01 C ATOM 445 O PRO A1177 0.075 6.593 11.000 1.00 21.51 O ATOM 446 CB PRO A1177 1.830 7.607 8.341 1.00 41.24 C ATOM 447 CG PRO A1177 1.448 7.620 6.898 1.00 60.34 C ATOM 448 CD PRO A1177 1.345 6.181 6.485 1.00 32.13 C ATOM 0 HA PRO A1177 1.907 5.776 9.574 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.439 8.483 8.859 1.00 41.24 H new ATOM 0 HB3 PRO A1177 2.913 7.623 8.461 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.500 8.137 6.750 1.00 60.34 H new ATOM 0 HG3 PRO A1177 2.194 8.145 6.301 1.00 60.34 H new ATOM 0 HD2 PRO A1177 0.630 6.044 5.673 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.301 5.791 6.137 1.00 32.13 H new ATOM 456 N LYS A1178 -1.119 6.929 9.110 1.00 31.54 N ATOM 457 CA LYS A1178 -2.371 7.253 9.799 1.00 31.40 C ATOM 458 C LYS A1178 -2.824 6.144 10.761 1.00 61.44 C ATOM 459 O LYS A1178 -3.608 6.401 11.677 1.00 21.41 O ATOM 460 CB LYS A1178 -3.483 7.554 8.785 1.00 41.11 C ATOM 461 CG LYS A1178 -3.566 6.552 7.641 1.00 75.34 C ATOM 462 CD LYS A1178 -4.980 6.027 7.456 1.00 3.54 C ATOM 463 CE LYS A1178 -5.900 7.084 6.864 1.00 41.41 C ATOM 464 NZ LYS A1178 -7.119 6.481 6.255 1.00 34.11 N ATOM 0 H LYS A1178 -1.185 6.958 8.093 1.00 31.54 H new ATOM 0 HA LYS A1178 -2.175 8.141 10.399 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -4.440 7.575 9.306 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -3.324 8.550 8.371 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -3.229 7.024 6.718 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -2.891 5.719 7.837 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -4.962 5.154 6.804 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -5.375 5.698 8.417 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -6.193 7.788 7.643 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -5.360 7.653 6.108 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -7.712 7.232 5.848 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -6.840 5.816 5.506 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -7.657 5.973 6.986 1.00 34.11 H new ATOM 478 N PHE A1179 -2.331 4.916 10.557 1.00 11.35 N ATOM 479 CA PHE A1179 -2.693 3.785 11.415 1.00 74.35 C ATOM 480 C PHE A1179 -1.515 3.324 12.283 1.00 71.33 C ATOM 481 O PHE A1179 -1.557 2.239 12.867 1.00 74.31 O ATOM 482 CB PHE A1179 -3.225 2.632 10.564 1.00 0.15 C ATOM 483 CG PHE A1179 -4.614 2.886 10.049 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.690 2.950 10.923 1.00 51.03 C ATOM 485 CD2 PHE A1179 -4.845 3.076 8.697 1.00 1.32 C ATOM 486 CE1 PHE A1179 -6.966 3.198 10.456 1.00 13.33 C ATOM 487 CE2 PHE A1179 -6.118 3.322 8.225 1.00 71.30 C ATOM 488 CZ PHE A1179 -7.181 3.383 9.105 1.00 40.42 C ATOM 0 H PHE A1179 -1.682 4.682 9.806 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.478 4.118 12.094 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -2.554 2.468 9.721 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -3.223 1.717 11.156 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -5.528 2.804 11.981 1.00 51.03 H new ATOM 0 HD2 PHE A1179 -4.018 3.031 8.003 1.00 1.32 H new ATOM 0 HE1 PHE A1179 -7.795 3.247 11.147 1.00 13.33 H new ATOM 0 HE2 PHE A1179 -6.283 3.467 7.168 1.00 71.30 H new ATOM 0 HZ PHE A1179 -8.178 3.575 8.737 1.00 40.42 H new ATOM 498 N GLY A1180 -0.477 4.162 12.384 1.00 52.42 N ATOM 499 CA GLY A1180 0.677 3.829 13.205 1.00 4.40 C ATOM 500 C GLY A1180 1.829 3.193 12.440 1.00 41.34 C ATOM 501 O GLY A1180 2.894 2.967 13.016 1.00 12.42 O ATOM 0 H GLY A1180 -0.418 5.064 11.911 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.036 4.736 13.691 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.361 3.148 13.995 1.00 4.40 H new ATOM 505 N GLY A1181 1.629 2.893 11.153 1.00 31.22 N ATOM 506 CA GLY A1181 2.681 2.276 10.366 1.00 64.50 C ATOM 507 C GLY A1181 3.796 3.234 10.000 1.00 12.03 C ATOM 508 O GLY A1181 3.738 4.426 10.310 1.00 23.53 O ATOM 0 H GLY A1181 0.760 3.067 10.648 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.100 1.439 10.925 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.249 1.866 9.453 1.00 64.50 H new ATOM 512 N ARG A1182 4.813 2.702 9.331 1.00 74.12 N ATOM 513 CA ARG A1182 5.963 3.498 8.902 1.00 3.32 C ATOM 514 C ARG A1182 5.893 3.836 7.409 1.00 71.10 C ATOM 515 O ARG A1182 6.652 4.682 6.934 1.00 62.21 O ATOM 516 CB ARG A1182 7.290 2.782 9.211 1.00 0.14 C ATOM 517 CG ARG A1182 7.166 1.588 10.153 1.00 43.10 C ATOM 518 CD ARG A1182 7.283 0.268 9.403 1.00 64.42 C ATOM 519 NE ARG A1182 6.107 -0.585 9.597 1.00 41.53 N ATOM 520 CZ ARG A1182 5.144 -0.766 8.687 1.00 41.12 C ATOM 521 NH1 ARG A1182 5.191 -0.144 7.510 1.00 53.13 N ATOM 522 NH2 ARG A1182 4.123 -1.572 8.957 1.00 71.21 N ATOM 0 H ARG A1182 4.866 1.717 9.072 1.00 74.12 H new ATOM 0 HA ARG A1182 5.927 4.428 9.469 1.00 3.32 H new ATOM 0 HB2 ARG A1182 7.731 2.444 8.274 1.00 0.14 H new ATOM 0 HB3 ARG A1182 7.982 3.502 9.648 1.00 0.14 H new ATOM 0 HG2 ARG A1182 7.942 1.644 10.916 1.00 43.10 H new ATOM 0 HG3 ARG A1182 6.207 1.630 10.670 1.00 43.10 H new ATOM 0 HD2 ARG A1182 7.414 0.467 8.339 1.00 64.42 H new ATOM 0 HD3 ARG A1182 8.174 -0.262 9.740 1.00 64.42 H new ATOM 0 HE ARG A1182 6.017 -1.074 10.487 1.00 41.53 H new ATOM 0 HH11 ARG A1182 5.969 0.480 7.293 1.00 53.13 H new ATOM 0 HH12 ARG A1182 4.449 -0.291 6.825 1.00 53.13 H new ATOM 0 HH21 ARG A1182 4.075 -2.051 9.856 1.00 71.21 H new ATOM 0 HH22 ARG A1182 3.387 -1.712 8.265 1.00 71.21 H new ATOM 536 N ASN A1183 4.993 3.168 6.671 1.00 41.43 N ATOM 537 CA ASN A1183 4.839 3.395 5.234 1.00 51.41 C ATOM 538 C ASN A1183 5.954 2.697 4.454 1.00 55.15 C ATOM 539 O ASN A1183 6.708 3.329 3.711 1.00 54.11 O ATOM 540 CB ASN A1183 4.806 4.895 4.908 1.00 4.35 C ATOM 541 CG ASN A1183 3.951 5.204 3.692 1.00 5.11 C ATOM 542 OD1 ASN A1183 2.799 5.617 3.817 1.00 72.14 O ATOM 543 ND2 ASN A1183 4.511 5.002 2.502 1.00 30.02 N ATOM 0 H ASN A1183 4.361 2.464 7.052 1.00 41.43 H new ATOM 0 HA ASN A1183 3.885 2.966 4.929 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.421 5.443 5.768 1.00 4.35 H new ATOM 0 HB3 ASN A1183 5.822 5.249 4.734 1.00 4.35 H new ATOM 0 HD21 ASN A1183 3.982 5.191 1.651 1.00 30.02 H new ATOM 0 HD22 ASN A1183 5.469 4.658 2.441 1.00 30.02 H new ATOM 550 N ILE A1184 6.034 1.377 4.633 1.00 40.13 N ATOM 551 CA ILE A1184 7.035 0.559 3.955 1.00 12.01 C ATOM 552 C ILE A1184 6.440 -0.112 2.712 1.00 42.13 C ATOM 553 O ILE A1184 7.147 -0.365 1.736 1.00 61.31 O ATOM 554 CB ILE A1184 7.630 -0.512 4.909 1.00 12.40 C ATOM 555 CG1 ILE A1184 9.131 -0.671 4.658 1.00 34.52 C ATOM 556 CG2 ILE A1184 6.919 -1.855 4.761 1.00 50.22 C ATOM 557 CD1 ILE A1184 9.975 -0.507 5.904 1.00 24.03 C ATOM 0 H ILE A1184 5.412 0.851 5.247 1.00 40.13 H new ATOM 0 HA ILE A1184 7.842 1.222 3.642 1.00 12.01 H new ATOM 0 HB ILE A1184 7.476 -0.169 5.932 1.00 12.40 H new ATOM 0 HG12 ILE A1184 9.317 -1.656 4.231 1.00 34.52 H new ATOM 0 HG13 ILE A1184 9.447 0.063 3.916 1.00 34.52 H new ATOM 0 HG21 ILE A1184 7.363 -2.579 5.444 1.00 50.22 H new ATOM 0 HG22 ILE A1184 5.862 -1.735 4.997 1.00 50.22 H new ATOM 0 HG23 ILE A1184 7.024 -2.211 3.736 1.00 50.22 H new ATOM 0 HD11 ILE A1184 11.027 -0.633 5.650 1.00 24.03 H new ATOM 0 HD12 ILE A1184 9.819 0.488 6.321 1.00 24.03 H new ATOM 0 HD13 ILE A1184 9.687 -1.258 6.640 1.00 24.03 H new ATOM 569 N LYS A1185 5.134 -0.396 2.763 1.00 22.13 N ATOM 570 CA LYS A1185 4.437 -1.031 1.651 1.00 41.34 C ATOM 571 C LYS A1185 3.999 0.010 0.628 1.00 65.14 C ATOM 572 O LYS A1185 4.148 -0.184 -0.579 1.00 73.52 O ATOM 573 CB LYS A1185 3.223 -1.820 2.154 1.00 2.33 C ATOM 574 CG LYS A1185 3.457 -3.321 2.227 1.00 2.30 C ATOM 575 CD LYS A1185 2.157 -4.081 2.450 1.00 72.33 C ATOM 576 CE LYS A1185 2.038 -4.588 3.880 1.00 71.00 C ATOM 577 NZ LYS A1185 1.651 -6.025 3.933 1.00 23.33 N ATOM 0 H LYS A1185 4.541 -0.193 3.568 1.00 22.13 H new ATOM 0 HA LYS A1185 5.127 -1.724 1.170 1.00 41.34 H new ATOM 0 HB2 LYS A1185 2.949 -1.455 3.144 1.00 2.33 H new ATOM 0 HB3 LYS A1185 2.376 -1.625 1.496 1.00 2.33 H new ATOM 0 HG2 LYS A1185 3.925 -3.662 1.303 1.00 2.30 H new ATOM 0 HG3 LYS A1185 4.152 -3.542 3.037 1.00 2.30 H new ATOM 0 HD2 LYS A1185 1.312 -3.431 2.223 1.00 72.33 H new ATOM 0 HD3 LYS A1185 2.105 -4.923 1.760 1.00 72.33 H new ATOM 0 HE2 LYS A1185 2.989 -4.450 4.394 1.00 71.00 H new ATOM 0 HE3 LYS A1185 1.297 -3.993 4.415 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 1.581 -6.329 4.925 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 0.731 -6.154 3.466 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 2.370 -6.596 3.445 1.00 23.33 H new ATOM 591 N LYS A1186 3.458 1.122 1.135 1.00 53.34 N ATOM 592 CA LYS A1186 2.986 2.223 0.302 1.00 34.15 C ATOM 593 C LYS A1186 1.952 1.739 -0.714 1.00 12.40 C ATOM 594 O LYS A1186 2.092 1.966 -1.910 1.00 50.03 O ATOM 595 CB LYS A1186 4.158 2.909 -0.423 1.00 44.31 C ATOM 596 CG LYS A1186 5.479 2.871 0.334 1.00 44.13 C ATOM 597 CD LYS A1186 6.484 1.952 -0.347 1.00 34.02 C ATOM 598 CE LYS A1186 7.913 2.435 -0.154 1.00 63.44 C ATOM 599 NZ LYS A1186 8.365 2.305 1.260 1.00 13.23 N ATOM 0 H LYS A1186 3.337 1.280 2.135 1.00 53.34 H new ATOM 0 HA LYS A1186 2.511 2.951 0.959 1.00 34.15 H new ATOM 0 HB2 LYS A1186 4.296 2.433 -1.394 1.00 44.31 H new ATOM 0 HB3 LYS A1186 3.892 3.949 -0.613 1.00 44.31 H new ATOM 0 HG2 LYS A1186 5.891 3.878 0.400 1.00 44.13 H new ATOM 0 HG3 LYS A1186 5.305 2.530 1.355 1.00 44.13 H new ATOM 0 HD2 LYS A1186 6.384 0.943 0.054 1.00 34.02 H new ATOM 0 HD3 LYS A1186 6.260 1.895 -1.412 1.00 34.02 H new ATOM 0 HE2 LYS A1186 8.579 1.863 -0.800 1.00 63.44 H new ATOM 0 HE3 LYS A1186 7.987 3.478 -0.463 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 9.332 2.677 1.351 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 7.727 2.844 1.879 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 8.352 1.303 1.538 1.00 13.23 H new ATOM 613 N GLN A1187 0.914 1.066 -0.233 1.00 50.40 N ATOM 614 CA GLN A1187 -0.127 0.549 -1.115 1.00 53.33 C ATOM 615 C GLN A1187 -1.519 0.805 -0.543 1.00 74.03 C ATOM 616 O GLN A1187 -1.668 1.258 0.595 1.00 12.15 O ATOM 617 CB GLN A1187 0.089 -0.953 -1.351 1.00 3.24 C ATOM 618 CG GLN A1187 -0.643 -1.502 -2.568 1.00 52.22 C ATOM 619 CD GLN A1187 0.170 -2.522 -3.346 1.00 55.31 C ATOM 620 OE1 GLN A1187 0.279 -2.436 -4.570 1.00 35.23 O ATOM 621 NE2 GLN A1187 0.740 -3.499 -2.645 1.00 25.41 N ATOM 0 H GLN A1187 0.770 0.866 0.757 1.00 50.40 H new ATOM 0 HA GLN A1187 -0.060 1.075 -2.067 1.00 53.33 H new ATOM 0 HB2 GLN A1187 1.156 -1.142 -1.466 1.00 3.24 H new ATOM 0 HB3 GLN A1187 -0.238 -1.500 -0.466 1.00 3.24 H new ATOM 0 HG2 GLN A1187 -1.577 -1.962 -2.245 1.00 52.22 H new ATOM 0 HG3 GLN A1187 -0.906 -0.676 -3.229 1.00 52.22 H new ATOM 0 HE21 GLN A1187 0.625 -3.534 -1.632 1.00 25.41 H new ATOM 0 HE22 GLN A1187 1.292 -4.213 -3.121 1.00 25.41 H new ATOM 630 N CYS A1188 -2.536 0.513 -1.353 1.00 24.13 N ATOM 631 CA CYS A1188 -3.927 0.710 -0.962 1.00 3.24 C ATOM 632 C CYS A1188 -4.416 -0.379 -0.004 1.00 43.41 C ATOM 633 O CYS A1188 -3.937 -1.514 -0.032 1.00 40.23 O ATOM 634 CB CYS A1188 -4.830 0.771 -2.197 1.00 43.51 C ATOM 635 SG CYS A1188 -5.398 2.436 -2.616 1.00 5.43 S ATOM 0 H CYS A1188 -2.418 0.135 -2.293 1.00 24.13 H new ATOM 0 HA CYS A1188 -3.980 1.661 -0.433 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -4.290 0.358 -3.049 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -5.699 0.134 -2.030 1.00 43.51 H new ATOM 0 HG CYS A1188 -6.152 2.384 -3.674 1.00 5.43 H new ATOM 641 N CYS A1189 -5.393 -0.009 0.819 1.00 75.03 N ATOM 642 CA CYS A1189 -5.997 -0.936 1.781 1.00 5.21 C ATOM 643 C CYS A1189 -6.424 -2.237 1.087 1.00 3.23 C ATOM 644 O CYS A1189 -6.916 -2.212 -0.042 1.00 42.41 O ATOM 645 CB CYS A1189 -7.196 -0.264 2.457 1.00 1.22 C ATOM 646 SG CYS A1189 -8.416 -1.407 3.135 1.00 22.22 S ATOM 0 H CYS A1189 -5.788 0.931 0.841 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.258 -1.191 2.541 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -6.831 0.376 3.261 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -7.689 0.384 1.732 1.00 1.22 H new ATOM 0 HG CYS A1189 -8.304 -1.444 4.430 1.00 22.22 H new ATOM 651 N LYS A1190 -6.231 -3.371 1.776 1.00 63.32 N ATOM 652 CA LYS A1190 -6.594 -4.695 1.245 1.00 34.02 C ATOM 653 C LYS A1190 -8.084 -4.775 0.882 1.00 55.43 C ATOM 654 O LYS A1190 -8.462 -5.444 -0.080 1.00 3.24 O ATOM 655 CB LYS A1190 -6.256 -5.784 2.272 1.00 42.40 C ATOM 656 CG LYS A1190 -4.898 -6.436 2.057 1.00 41.11 C ATOM 657 CD LYS A1190 -3.811 -5.760 2.877 1.00 65.13 C ATOM 658 CE LYS A1190 -2.454 -5.854 2.196 1.00 71.24 C ATOM 659 NZ LYS A1190 -1.821 -7.192 2.378 1.00 34.12 N ATOM 0 H LYS A1190 -5.822 -3.398 2.710 1.00 63.32 H new ATOM 0 HA LYS A1190 -6.016 -4.853 0.334 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -6.285 -5.349 3.271 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -7.027 -6.554 2.237 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -4.954 -7.491 2.327 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -4.637 -6.391 1.000 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -4.069 -4.712 3.031 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -3.757 -6.223 3.862 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -2.569 -5.651 1.131 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -1.794 -5.085 2.598 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -0.899 -7.208 1.897 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -1.686 -7.377 3.392 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -2.436 -7.925 1.972 1.00 34.12 H new ATOM 673 N MET A1191 -8.913 -4.063 1.647 1.00 51.35 N ATOM 674 CA MET A1191 -10.358 -4.011 1.413 1.00 43.31 C ATOM 675 C MET A1191 -10.709 -2.981 0.337 1.00 42.42 C ATOM 676 O MET A1191 -11.820 -2.991 -0.195 1.00 52.24 O ATOM 677 CB MET A1191 -11.094 -3.673 2.713 1.00 14.25 C ATOM 678 CG MET A1191 -11.426 -4.891 3.561 1.00 23.42 C ATOM 679 SD MET A1191 -12.567 -6.024 2.740 1.00 75.10 S ATOM 680 CE MET A1191 -14.010 -4.981 2.551 1.00 20.12 C ATOM 0 H MET A1191 -8.603 -3.507 2.444 1.00 51.35 H new ATOM 0 HA MET A1191 -10.675 -4.994 1.063 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.481 -2.989 3.300 1.00 14.25 H new ATOM 0 HB3 MET A1191 -12.017 -3.147 2.471 1.00 14.25 H new ATOM 0 HG2 MET A1191 -10.505 -5.422 3.803 1.00 23.42 H new ATOM 0 HG3 MET A1191 -11.862 -4.563 4.505 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.909 -5.564 2.752 1.00 20.12 H new ATOM 0 HE2 MET A1191 -13.952 -4.149 3.253 1.00 20.12 H new ATOM 0 HE3 MET A1191 -14.049 -4.594 1.533 1.00 20.12 H new ATOM 690 N ARG A1192 -9.768 -2.081 0.034 1.00 70.22 N ATOM 691 CA ARG A1192 -9.996 -1.036 -0.958 1.00 25.23 C ATOM 692 C ARG A1192 -9.264 -1.299 -2.279 1.00 34.10 C ATOM 693 O ARG A1192 -9.473 -0.569 -3.251 1.00 21.31 O ATOM 694 CB ARG A1192 -9.566 0.323 -0.398 1.00 33.42 C ATOM 695 CG ARG A1192 -10.422 0.800 0.765 1.00 44.45 C ATOM 696 CD ARG A1192 -10.180 2.269 1.081 1.00 14.13 C ATOM 697 NE ARG A1192 -8.795 2.527 1.481 1.00 74.11 N ATOM 698 CZ ARG A1192 -7.858 3.041 0.675 1.00 43.31 C ATOM 699 NH1 ARG A1192 -8.142 3.352 -0.588 1.00 72.34 N ATOM 700 NH2 ARG A1192 -6.628 3.240 1.137 1.00 41.14 N ATOM 0 H ARG A1192 -8.843 -2.059 0.464 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.065 -1.035 -1.173 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -8.528 0.260 -0.072 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -9.606 1.065 -1.196 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -11.475 0.648 0.527 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -10.204 0.198 1.647 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -10.422 2.872 0.206 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -10.852 2.583 1.880 1.00 14.13 H new ATOM 0 HE ARG A1192 -8.526 2.300 2.438 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -9.083 3.199 -0.952 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -7.419 3.743 -1.192 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -6.401 3.001 2.102 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -5.911 3.631 0.526 1.00 41.14 H new ATOM 714 N LYS A1193 -8.417 -2.337 -2.329 1.00 12.22 N ATOM 715 CA LYS A1193 -7.685 -2.668 -3.552 1.00 53.34 C ATOM 716 C LYS A1193 -8.646 -3.079 -4.664 1.00 23.33 C ATOM 717 O LYS A1193 -9.396 -4.048 -4.531 1.00 10.03 O ATOM 718 CB LYS A1193 -6.674 -3.788 -3.287 1.00 52.02 C ATOM 719 CG LYS A1193 -5.329 -3.288 -2.783 1.00 53.24 C ATOM 720 CD LYS A1193 -4.262 -3.362 -3.866 1.00 44.42 C ATOM 721 CE LYS A1193 -3.835 -1.976 -4.330 1.00 34.02 C ATOM 722 NZ LYS A1193 -4.852 -1.342 -5.218 1.00 62.42 N ATOM 0 H LYS A1193 -8.225 -2.956 -1.541 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.145 -1.778 -3.874 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -7.093 -4.478 -2.555 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -6.521 -4.353 -4.207 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -5.429 -2.258 -2.439 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -5.018 -3.882 -1.924 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -3.395 -3.902 -3.486 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -4.644 -3.929 -4.715 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -3.666 -1.340 -3.461 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -2.886 -2.049 -4.861 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -4.372 -0.813 -5.974 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -5.453 -2.079 -5.639 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -5.442 -0.691 -4.661 1.00 62.42 H new ATOM 736 N CYS A1194 -8.608 -2.323 -5.758 1.00 72.22 N ATOM 737 CA CYS A1194 -9.463 -2.581 -6.910 1.00 10.42 C ATOM 738 C CYS A1194 -9.207 -3.973 -7.493 1.00 55.20 C ATOM 739 O CYS A1194 -8.065 -4.346 -7.772 1.00 0.11 O ATOM 740 CB CYS A1194 -9.226 -1.510 -7.978 1.00 74.32 C ATOM 741 SG CYS A1194 -10.266 -1.677 -9.443 1.00 0.41 S ATOM 0 H CYS A1194 -7.988 -1.521 -5.870 1.00 72.22 H new ATOM 0 HA CYS A1194 -10.501 -2.543 -6.581 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -9.397 -0.529 -7.536 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.180 -1.544 -8.284 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.269 -2.460 -9.176 1.00 0.41 H new ATOM 746 N GLN A1195 -10.289 -4.730 -7.676 1.00 50.31 N ATOM 747 CA GLN A1195 -10.221 -6.088 -8.231 1.00 20.22 C ATOM 748 C GLN A1195 -10.333 -6.087 -9.759 1.00 15.11 C ATOM 749 O GLN A1195 -10.216 -7.137 -10.396 1.00 43.24 O ATOM 750 CB GLN A1195 -11.327 -6.957 -7.631 1.00 45.21 C ATOM 751 CG GLN A1195 -11.208 -7.128 -6.128 1.00 43.13 C ATOM 752 CD GLN A1195 -12.246 -6.327 -5.365 1.00 50.42 C ATOM 753 OE1 GLN A1195 -12.170 -5.101 -5.295 1.00 71.33 O ATOM 754 NE2 GLN A1195 -13.226 -7.017 -4.787 1.00 42.22 N ATOM 0 H GLN A1195 -11.234 -4.424 -7.446 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.247 -6.501 -7.969 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -12.295 -6.513 -7.864 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -11.305 -7.939 -8.104 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -11.313 -8.184 -5.877 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -10.212 -6.822 -5.809 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -13.252 -8.033 -4.870 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -13.952 -6.530 -4.261 1.00 42.22 H new ATOM 763 N ASN A1196 -10.550 -4.908 -10.338 1.00 31.31 N ATOM 764 CA ASN A1196 -10.671 -4.757 -11.785 1.00 53.34 C ATOM 765 C ASN A1196 -10.036 -3.440 -12.225 1.00 64.12 C ATOM 766 O ASN A1196 -10.688 -2.593 -12.842 1.00 45.42 O ATOM 767 CB ASN A1196 -12.145 -4.809 -12.207 1.00 22.42 C ATOM 768 CG ASN A1196 -12.764 -6.177 -11.989 1.00 75.25 C ATOM 769 OD1 ASN A1196 -12.690 -7.048 -12.856 1.00 22.25 O ATOM 770 ND2 ASN A1196 -13.381 -6.375 -10.827 1.00 70.22 N ATOM 0 H ASN A1196 -10.646 -4.035 -9.820 1.00 31.31 H new ATOM 0 HA ASN A1196 -10.147 -5.580 -12.271 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -12.708 -4.065 -11.643 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -12.228 -4.540 -13.260 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -13.816 -7.276 -10.627 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -13.419 -5.626 -10.136 1.00 70.22 H new ATOM 777 N LEU A1197 -8.756 -3.273 -11.889 1.00 41.12 N ATOM 778 CA LEU A1197 -8.018 -2.060 -12.229 1.00 72.14 C ATOM 779 C LEU A1197 -7.953 -1.848 -13.736 1.00 40.01 C ATOM 780 O LEU A1197 -7.872 -2.806 -14.509 1.00 52.43 O ATOM 781 CB LEU A1197 -6.599 -2.113 -11.654 1.00 60.33 C ATOM 782 CG LEU A1197 -6.384 -1.317 -10.361 1.00 11.12 C ATOM 783 CD1 LEU A1197 -4.904 -1.073 -10.132 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.137 0.007 -10.402 1.00 53.11 C ATOM 0 H LEU A1197 -8.209 -3.967 -11.380 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.554 -1.220 -11.788 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.340 -3.155 -11.467 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -5.905 -1.742 -12.409 1.00 60.33 H new ATOM 0 HG LEU A1197 -6.777 -1.906 -9.532 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -4.767 -0.507 -9.211 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -4.386 -2.029 -10.051 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.495 -0.508 -10.969 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -6.967 0.551 -9.473 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.780 0.603 -11.242 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.203 -0.184 -10.520 1.00 53.11 H new