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: A1172 ASN :FLIP amide:sc= -0.95 F(o=-3,f=-1) USER MOD Set 1.2: A1185 LYS NZ :NH3+ -173:sc= -0.0448 (180deg=-0.123) USER MOD Set 1.3: A1190 LYS NZ :NH3+ -159:sc=-0.00699 (180deg=-0.374) USER MOD Set 2.1: A1167 CYS SG : rot -16:sc= -0.24 USER MOD Set 2.2: A1170 CYS SG : rot -62:sc= -0.954 USER MOD Set 2.3: A1173 CYS SG : rot 40:sc= -1.58! USER MOD Set 2.4: A1189 CYS SG : rot 92:sc= 0.887 USER MOD Set 3.1: A1187 GLN : amide:sc= -0.701 K(o=-3.1,f=-7.2!) USER MOD Set 3.2: A1188 CYS SG : rot 27:sc= -2.41 USER MOD Set 3.3: A1193 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 4.1: A1155 CYS SG : rot -67:sc= -3.07! USER MOD Set 4.2: A1158 CYS SG : rot -67:sc= 1.32 USER MOD Set 4.3: A1161 CYS SG : rot 60:sc= -3.52! USER MOD Set 4.4: A1194 CYS SG : rot 91:sc= -1.05! USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -0.955 X(o=-0.96,f=-0.98) USER MOD Single : A1171 THR OG1 : rot 180:sc= -2.14! USER MOD Single : A1176 LYS NZ :NH3+ 179:sc= -0.0232 (180deg=-0.025) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -0.688 K(o=-0.69,f=-5.6!) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1191 MET CE :methyl -129:sc=-0.00118 (180deg=-2.42!) USER MOD Single : A1195 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1196 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -6.429 3.024 -13.060 1.00 33.42 N ATOM 112 CA ARG A1153 -7.732 3.511 -12.610 1.00 41.43 C ATOM 113 C ARG A1153 -8.642 2.370 -12.177 1.00 11.15 C ATOM 114 O ARG A1153 -8.811 1.394 -12.908 1.00 31.14 O ATOM 115 CB ARG A1153 -8.406 4.286 -13.744 1.00 14.30 C ATOM 116 CG ARG A1153 -8.359 5.796 -13.573 1.00 73.14 C ATOM 117 CD ARG A1153 -7.020 6.367 -14.013 1.00 1.24 C ATOM 118 NE ARG A1153 -6.190 6.769 -12.876 1.00 23.40 N ATOM 119 CZ ARG A1153 -4.856 6.795 -12.899 1.00 2.31 C ATOM 120 NH1 ARG A1153 -4.192 6.468 -14.003 1.00 44.11 N ATOM 121 NH2 ARG A1153 -4.180 7.157 -11.813 1.00 74.32 N ATOM 0 HA ARG A1153 -7.566 4.159 -11.750 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -7.926 4.022 -14.686 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -9.447 3.971 -13.817 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -9.159 6.254 -14.154 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -8.538 6.050 -12.528 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -6.487 5.623 -14.605 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -7.189 7.228 -14.660 1.00 1.24 H new ATOM 0 HE ARG A1153 -6.660 7.046 -12.014 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -4.702 6.194 -14.843 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -3.172 6.491 -14.011 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -4.681 7.415 -10.963 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -3.160 7.177 -11.830 1.00 74.32 H new ATOM 135 N ARG A1154 -9.246 2.502 -10.999 1.00 52.40 N ATOM 136 CA ARG A1154 -10.156 1.478 -10.497 1.00 62.14 C ATOM 137 C ARG A1154 -11.431 1.432 -11.351 1.00 30.30 C ATOM 138 O ARG A1154 -11.845 2.448 -11.914 1.00 74.42 O ATOM 139 CB ARG A1154 -10.496 1.733 -9.024 1.00 45.41 C ATOM 140 CG ARG A1154 -11.259 3.027 -8.772 1.00 23.13 C ATOM 141 CD ARG A1154 -10.747 3.748 -7.532 1.00 3.20 C ATOM 142 NE ARG A1154 -11.332 3.214 -6.300 1.00 15.22 N ATOM 143 CZ ARG A1154 -10.730 2.328 -5.497 1.00 23.13 C ATOM 144 NH1 ARG A1154 -9.521 1.851 -5.790 1.00 2.55 N ATOM 145 NH2 ARG A1154 -11.344 1.915 -4.392 1.00 40.44 N ATOM 0 H ARG A1154 -9.123 3.302 -10.378 1.00 52.40 H new ATOM 0 HA ARG A1154 -9.661 0.509 -10.567 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -11.087 0.897 -8.650 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -9.571 1.752 -8.448 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -11.164 3.681 -9.639 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -12.320 2.807 -8.654 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -9.662 3.660 -7.485 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -10.977 4.811 -7.611 1.00 3.20 H new ATOM 0 HE ARG A1154 -12.262 3.539 -6.036 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -9.042 2.160 -6.636 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -9.075 1.176 -5.169 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -12.270 2.273 -4.159 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -10.889 1.240 -3.778 1.00 40.44 H new ATOM 159 N CYS A1155 -12.040 0.248 -11.453 1.00 23.05 N ATOM 160 CA CYS A1155 -13.254 0.054 -12.245 1.00 1.11 C ATOM 161 C CYS A1155 -14.418 0.907 -11.742 1.00 10.20 C ATOM 162 O CYS A1155 -15.112 1.540 -12.539 1.00 75.34 O ATOM 163 CB CYS A1155 -13.656 -1.422 -12.242 1.00 33.23 C ATOM 164 SG CYS A1155 -13.810 -2.148 -10.597 1.00 53.42 S ATOM 0 H CYS A1155 -11.707 -0.598 -10.991 1.00 23.05 H new ATOM 0 HA CYS A1155 -13.027 0.373 -13.262 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.607 -1.528 -12.763 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.917 -1.989 -12.808 1.00 33.23 H new ATOM 0 HG CYS A1155 -12.640 -2.196 -10.032 1.00 53.42 H new ATOM 169 N GLY A1156 -14.635 0.918 -10.424 1.00 23.42 N ATOM 170 CA GLY A1156 -15.725 1.694 -9.859 1.00 72.43 C ATOM 171 C GLY A1156 -16.958 0.856 -9.536 1.00 43.32 C ATOM 172 O GLY A1156 -17.913 1.367 -8.951 1.00 3.12 O ATOM 0 H GLY A1156 -14.076 0.404 -9.743 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.379 2.185 -8.949 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -16.003 2.481 -10.560 1.00 72.43 H new ATOM 176 N GLN A1157 -16.951 -0.425 -9.931 1.00 34.13 N ATOM 177 CA GLN A1157 -18.098 -1.308 -9.684 1.00 5.23 C ATOM 178 C GLN A1157 -17.740 -2.543 -8.842 1.00 54.32 C ATOM 179 O GLN A1157 -18.635 -3.264 -8.399 1.00 24.22 O ATOM 180 CB GLN A1157 -18.717 -1.747 -11.015 1.00 1.14 C ATOM 181 CG GLN A1157 -20.233 -1.619 -11.055 1.00 4.15 C ATOM 182 CD GLN A1157 -20.940 -2.821 -10.457 1.00 45.04 C ATOM 183 OE1 GLN A1157 -21.030 -3.877 -11.083 1.00 51.54 O ATOM 184 NE2 GLN A1157 -21.448 -2.668 -9.237 1.00 12.22 N ATOM 0 H GLN A1157 -16.172 -0.869 -10.418 1.00 34.13 H new ATOM 0 HA GLN A1157 -18.819 -0.730 -9.106 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -18.289 -1.149 -11.820 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -18.443 -2.784 -11.209 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -20.532 -0.721 -10.514 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -20.555 -1.491 -12.088 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -21.351 -1.776 -8.753 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -21.934 -3.443 -8.786 1.00 12.22 H new ATOM 193 N CYS A1158 -16.447 -2.794 -8.624 1.00 21.34 N ATOM 194 CA CYS A1158 -16.023 -3.955 -7.836 1.00 11.34 C ATOM 195 C CYS A1158 -16.267 -3.730 -6.341 1.00 1.24 C ATOM 196 O CYS A1158 -16.336 -2.589 -5.881 1.00 10.22 O ATOM 197 CB CYS A1158 -14.545 -4.274 -8.092 1.00 53.42 C ATOM 198 SG CYS A1158 -13.388 -3.137 -7.298 1.00 41.45 S ATOM 0 H CYS A1158 -15.683 -2.217 -8.977 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.624 -4.807 -8.153 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -14.339 -5.286 -7.743 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -14.365 -4.265 -9.167 1.00 53.42 H new ATOM 0 HG CYS A1158 -13.494 -1.961 -7.841 1.00 41.45 H new ATOM 203 N PRO A1159 -16.411 -4.826 -5.563 1.00 13.34 N ATOM 204 CA PRO A1159 -16.659 -4.750 -4.114 1.00 52.32 C ATOM 205 C PRO A1159 -15.560 -4.003 -3.356 1.00 10.44 C ATOM 206 O PRO A1159 -15.830 -3.354 -2.344 1.00 34.34 O ATOM 207 CB PRO A1159 -16.714 -6.218 -3.673 1.00 33.14 C ATOM 208 CG PRO A1159 -17.005 -6.985 -4.918 1.00 53.42 C ATOM 209 CD PRO A1159 -16.353 -6.221 -6.035 1.00 42.13 C ATOM 0 HA PRO A1159 -17.571 -4.193 -3.898 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.770 -6.532 -3.228 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -17.488 -6.376 -2.922 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -16.608 -7.998 -4.854 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -18.079 -7.073 -5.080 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -15.327 -6.548 -6.202 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.886 -6.351 -6.977 1.00 42.13 H new ATOM 217 N GLY A1160 -14.328 -4.069 -3.870 1.00 75.21 N ATOM 218 CA GLY A1160 -13.219 -3.364 -3.244 1.00 43.32 C ATOM 219 C GLY A1160 -13.326 -1.860 -3.452 1.00 4.10 C ATOM 220 O GLY A1160 -12.945 -1.077 -2.581 1.00 54.55 O ATOM 0 H GLY A1160 -14.081 -4.597 -4.707 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -13.202 -3.585 -2.177 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -12.277 -3.724 -3.659 1.00 43.32 H new ATOM 224 N CYS A1161 -13.870 -1.468 -4.608 1.00 41.14 N ATOM 225 CA CYS A1161 -14.068 -0.062 -4.955 1.00 54.42 C ATOM 226 C CYS A1161 -15.185 0.566 -4.115 1.00 32.30 C ATOM 227 O CYS A1161 -15.253 1.788 -3.976 1.00 53.41 O ATOM 228 CB CYS A1161 -14.393 0.078 -6.446 1.00 63.34 C ATOM 229 SG CYS A1161 -12.945 0.316 -7.499 1.00 42.02 S ATOM 0 H CYS A1161 -14.185 -2.118 -5.328 1.00 41.14 H new ATOM 0 HA CYS A1161 -13.140 0.468 -4.739 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -14.926 -0.814 -6.776 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -15.070 0.922 -6.581 1.00 63.34 H new ATOM 0 HG CYS A1161 -12.146 -0.702 -7.375 1.00 42.02 H new ATOM 234 N GLN A1162 -16.062 -0.281 -3.564 1.00 33.23 N ATOM 235 CA GLN A1162 -17.182 0.178 -2.747 1.00 41.33 C ATOM 236 C GLN A1162 -16.744 0.548 -1.328 1.00 43.34 C ATOM 237 O GLN A1162 -17.468 1.266 -0.639 1.00 22.15 O ATOM 238 CB GLN A1162 -18.267 -0.902 -2.685 1.00 63.42 C ATOM 239 CG GLN A1162 -19.044 -1.063 -3.983 1.00 70.05 C ATOM 240 CD GLN A1162 -19.458 -2.501 -4.245 1.00 21.00 C ATOM 241 OE1 GLN A1162 -19.929 -3.198 -3.347 1.00 64.12 O ATOM 242 NE2 GLN A1162 -19.283 -2.954 -5.483 1.00 3.02 N ATOM 0 H GLN A1162 -16.013 -1.294 -3.673 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.581 1.076 -3.219 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -17.804 -1.855 -2.428 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -18.964 -0.659 -1.883 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -19.933 -0.434 -3.950 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -18.434 -0.708 -4.813 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -18.889 -2.343 -6.199 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -19.543 -3.912 -5.717 1.00 3.02 H new ATOM 251 N VAL A1163 -15.555 0.108 -0.898 1.00 50.22 N ATOM 252 CA VAL A1163 -15.058 0.471 0.428 1.00 63.43 C ATOM 253 C VAL A1163 -14.536 1.909 0.379 1.00 1.44 C ATOM 254 O VAL A1163 -13.557 2.197 -0.313 1.00 23.11 O ATOM 255 CB VAL A1163 -13.962 -0.497 0.929 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.296 0.026 2.194 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.546 -1.880 1.172 1.00 45.33 C ATOM 0 H VAL A1163 -14.931 -0.489 -1.440 1.00 50.22 H new ATOM 0 HA VAL A1163 -15.880 0.396 1.140 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.199 -0.567 0.153 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.530 -0.678 2.520 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -12.836 0.993 1.990 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -14.044 0.138 2.979 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -13.761 -2.550 1.524 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.333 -1.816 1.924 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -14.963 -2.267 0.242 1.00 45.33 H new ATOM 267 N PRO A1164 -15.216 2.845 1.075 1.00 71.44 N ATOM 268 CA PRO A1164 -14.849 4.264 1.064 1.00 13.33 C ATOM 269 C PRO A1164 -13.760 4.658 2.062 1.00 5.30 C ATOM 270 O PRO A1164 -13.252 5.781 2.001 1.00 5.32 O ATOM 271 CB PRO A1164 -16.167 4.943 1.432 1.00 15.33 C ATOM 272 CG PRO A1164 -16.843 3.978 2.343 1.00 1.11 C ATOM 273 CD PRO A1164 -16.427 2.600 1.889 1.00 3.53 C ATOM 0 HA PRO A1164 -14.421 4.548 0.102 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -15.996 5.900 1.924 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -16.771 5.143 0.547 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -16.550 4.151 3.378 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -17.926 4.092 2.295 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.214 1.948 2.736 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.211 2.118 1.304 1.00 3.53 H new ATOM 281 N GLU A1165 -13.405 3.763 2.986 1.00 65.22 N ATOM 282 CA GLU A1165 -12.383 4.086 3.980 1.00 11.42 C ATOM 283 C GLU A1165 -11.556 2.869 4.381 1.00 40.05 C ATOM 284 O GLU A1165 -12.045 1.738 4.384 1.00 72.02 O ATOM 285 CB GLU A1165 -13.023 4.704 5.221 1.00 54.32 C ATOM 286 CG GLU A1165 -14.102 3.835 5.831 1.00 74.44 C ATOM 287 CD GLU A1165 -13.639 3.110 7.082 1.00 4.32 C ATOM 288 OE1 GLU A1165 -13.515 3.767 8.138 1.00 4.11 O ATOM 289 OE2 GLU A1165 -13.400 1.887 7.006 1.00 55.43 O ATOM 0 H GLU A1165 -13.802 2.827 3.066 1.00 65.22 H new ATOM 0 HA GLU A1165 -11.708 4.806 3.516 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -12.250 4.889 5.967 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -13.450 5.672 4.958 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -14.966 4.454 6.074 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -14.432 3.103 5.094 1.00 74.44 H new ATOM 296 N ASP A1166 -10.301 3.131 4.745 1.00 52.42 N ATOM 297 CA ASP A1166 -9.377 2.095 5.187 1.00 54.32 C ATOM 298 C ASP A1166 -9.949 1.341 6.386 1.00 24.20 C ATOM 299 O ASP A1166 -10.397 1.952 7.359 1.00 4.45 O ATOM 300 CB ASP A1166 -8.030 2.728 5.567 1.00 42.32 C ATOM 301 CG ASP A1166 -7.131 2.982 4.367 1.00 32.30 C ATOM 302 OD1 ASP A1166 -7.652 3.368 3.298 1.00 11.20 O ATOM 303 OD2 ASP A1166 -5.902 2.799 4.498 1.00 1.41 O ATOM 0 H ASP A1166 -9.899 4.069 4.741 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.229 1.389 4.370 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -8.211 3.670 6.084 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.513 2.074 6.269 1.00 42.32 H new ATOM 308 N CYS A1167 -9.932 0.010 6.305 1.00 33.35 N ATOM 309 CA CYS A1167 -10.449 -0.836 7.384 1.00 12.51 C ATOM 310 C CYS A1167 -9.735 -0.552 8.708 1.00 3.00 C ATOM 311 O CYS A1167 -10.336 -0.640 9.780 1.00 75.13 O ATOM 312 CB CYS A1167 -10.335 -2.321 7.019 1.00 20.21 C ATOM 313 SG CYS A1167 -8.657 -2.880 6.665 1.00 63.11 S ATOM 0 H CYS A1167 -9.566 -0.506 5.505 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.504 -0.593 7.513 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -10.736 -2.915 7.840 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -10.961 -2.517 6.148 1.00 20.21 H new ATOM 0 HG CYS A1167 -7.892 -1.850 6.453 1.00 63.11 H new ATOM 318 N GLY A1168 -8.453 -0.189 8.614 1.00 61.35 N ATOM 319 CA GLY A1168 -7.669 0.133 9.794 1.00 61.11 C ATOM 320 C GLY A1168 -7.061 -1.072 10.496 1.00 41.43 C ATOM 321 O GLY A1168 -6.285 -0.900 11.437 1.00 11.55 O ATOM 0 H GLY A1168 -7.944 -0.113 7.734 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -6.867 0.813 9.507 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.303 0.668 10.501 1.00 61.11 H new ATOM 325 N VAL A1169 -7.411 -2.288 10.068 1.00 5.14 N ATOM 326 CA VAL A1169 -6.882 -3.491 10.710 1.00 10.32 C ATOM 327 C VAL A1169 -5.967 -4.314 9.794 1.00 1.33 C ATOM 328 O VAL A1169 -5.195 -5.143 10.279 1.00 0.21 O ATOM 329 CB VAL A1169 -8.014 -4.396 11.245 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.740 -3.721 12.400 1.00 64.11 C ATOM 331 CG2 VAL A1169 -8.991 -4.758 10.132 1.00 34.30 C ATOM 0 H VAL A1169 -8.049 -2.463 9.291 1.00 5.14 H new ATOM 0 HA VAL A1169 -6.280 -3.129 11.543 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.566 -5.318 11.615 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -9.533 -4.374 12.763 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -8.035 -3.524 13.207 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -9.172 -2.781 12.058 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.779 -5.396 10.533 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -9.432 -3.848 9.725 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -8.461 -5.289 9.341 1.00 34.30 H new ATOM 341 N CYS A1170 -6.043 -4.085 8.477 1.00 31.54 N ATOM 342 CA CYS A1170 -5.208 -4.811 7.529 1.00 20.33 C ATOM 343 C CYS A1170 -3.770 -4.297 7.580 1.00 31.20 C ATOM 344 O CYS A1170 -3.523 -3.138 7.914 1.00 41.54 O ATOM 345 CB CYS A1170 -5.783 -4.716 6.108 1.00 20.04 C ATOM 346 SG CYS A1170 -5.415 -3.175 5.239 1.00 33.30 S ATOM 0 H CYS A1170 -6.673 -3.405 8.051 1.00 31.54 H new ATOM 0 HA CYS A1170 -5.201 -5.864 7.812 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -5.398 -5.549 5.520 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -6.865 -4.837 6.161 1.00 20.04 H new ATOM 0 HG CYS A1170 -5.941 -2.177 5.884 1.00 33.30 H new ATOM 351 N THR A1171 -2.834 -5.181 7.250 1.00 13.53 N ATOM 352 CA THR A1171 -1.402 -4.852 7.256 1.00 51.14 C ATOM 353 C THR A1171 -1.077 -3.627 6.397 1.00 25.34 C ATOM 354 O THR A1171 -0.084 -2.942 6.648 1.00 45.43 O ATOM 355 CB THR A1171 -0.569 -6.047 6.782 1.00 43.21 C ATOM 356 OG1 THR A1171 0.813 -5.738 6.790 1.00 64.41 O ATOM 357 CG2 THR A1171 -0.937 -6.523 5.395 1.00 25.44 C ATOM 0 H THR A1171 -3.038 -6.141 6.972 1.00 13.53 H new ATOM 0 HA THR A1171 -1.144 -4.612 8.287 1.00 51.14 H new ATOM 0 HB THR A1171 -0.790 -6.848 7.488 1.00 43.21 H new ATOM 0 HG1 THR A1171 1.324 -6.517 6.485 1.00 64.41 H new ATOM 0 HG21 THR A1171 -0.309 -7.371 5.123 1.00 25.44 H new ATOM 0 HG22 THR A1171 -1.983 -6.828 5.381 1.00 25.44 H new ATOM 0 HG23 THR A1171 -0.785 -5.714 4.680 1.00 25.44 H new ATOM 365 N ASN A1172 -1.908 -3.350 5.391 1.00 64.24 N ATOM 366 CA ASN A1172 -1.686 -2.204 4.514 1.00 51.03 C ATOM 367 C ASN A1172 -1.996 -0.908 5.252 1.00 13.52 C ATOM 368 O ASN A1172 -1.220 0.047 5.202 1.00 4.51 O ATOM 369 CB ASN A1172 -2.558 -2.312 3.266 1.00 22.23 C ATOM 370 CG ASN A1172 -2.317 -1.174 2.301 1.00 72.54 C ATOM 371 OD1 ASN A1172 -1.428 -1.396 1.345 1.00 70.45 O flip ATOM 372 ND2 ASN A1172 -2.918 -0.107 2.415 1.00 72.54 N flip ATOM 0 H ASN A1172 -2.736 -3.901 5.166 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.639 -2.198 4.212 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -2.357 -3.259 2.765 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -3.608 -2.322 3.558 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -3.595 0.019 3.168 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -2.740 0.652 1.757 1.00 72.54 H new ATOM 379 N CYS A1173 -3.120 -0.900 5.960 1.00 72.10 N ATOM 380 CA CYS A1173 -3.536 0.252 6.744 1.00 51.15 C ATOM 381 C CYS A1173 -2.574 0.468 7.901 1.00 32.02 C ATOM 382 O CYS A1173 -2.123 1.586 8.136 1.00 1.11 O ATOM 383 CB CYS A1173 -4.953 0.040 7.281 1.00 10.14 C ATOM 384 SG CYS A1173 -6.232 0.113 6.010 1.00 43.23 S ATOM 0 H CYS A1173 -3.764 -1.689 6.005 1.00 72.10 H new ATOM 0 HA CYS A1173 -3.528 1.134 6.103 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -5.002 -0.929 7.777 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -5.162 0.797 8.037 1.00 10.14 H new ATOM 0 HG CYS A1173 -5.810 -0.484 4.935 1.00 43.23 H new ATOM 389 N LEU A1174 -2.232 -0.615 8.602 1.00 55.10 N ATOM 390 CA LEU A1174 -1.294 -0.532 9.717 1.00 75.13 C ATOM 391 C LEU A1174 0.050 0.014 9.251 1.00 24.23 C ATOM 392 O LEU A1174 0.723 0.731 9.988 1.00 21.32 O ATOM 393 CB LEU A1174 -1.114 -1.899 10.376 1.00 12.24 C ATOM 394 CG LEU A1174 -2.413 -2.576 10.809 1.00 14.22 C ATOM 395 CD1 LEU A1174 -2.151 -4.003 11.266 1.00 44.35 C ATOM 396 CD2 LEU A1174 -3.087 -1.766 11.905 1.00 44.31 C ATOM 0 H LEU A1174 -2.589 -1.552 8.417 1.00 55.10 H new ATOM 0 HA LEU A1174 -1.707 0.154 10.456 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.592 -2.556 9.681 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.472 -1.784 11.249 1.00 12.24 H new ATOM 0 HG LEU A1174 -3.086 -2.620 9.952 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -3.090 -4.466 11.570 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.714 -4.573 10.446 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.461 -3.994 12.110 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -4.012 -2.259 12.205 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -2.420 -1.691 12.764 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.313 -0.767 11.532 1.00 44.31 H new ATOM 408 N ASP A1175 0.427 -0.324 8.014 1.00 70.13 N ATOM 409 CA ASP A1175 1.687 0.142 7.444 1.00 70.13 C ATOM 410 C ASP A1175 1.647 1.646 7.179 1.00 61.50 C ATOM 411 O ASP A1175 2.681 2.309 7.214 1.00 5.34 O ATOM 412 CB ASP A1175 2.020 -0.611 6.153 1.00 65.04 C ATOM 413 CG ASP A1175 3.294 -1.427 6.274 1.00 40.44 C ATOM 414 OD1 ASP A1175 4.382 -0.818 6.345 1.00 22.11 O ATOM 415 OD2 ASP A1175 3.202 -2.672 6.297 1.00 32.31 O ATOM 0 H ASP A1175 -0.123 -0.917 7.393 1.00 70.13 H new ATOM 0 HA ASP A1175 2.471 -0.060 8.174 1.00 70.13 H new ATOM 0 HB2 ASP A1175 1.192 -1.271 5.896 1.00 65.04 H new ATOM 0 HB3 ASP A1175 2.124 0.102 5.336 1.00 65.04 H new ATOM 420 N LYS A1176 0.449 2.186 6.934 1.00 62.33 N ATOM 421 CA LYS A1176 0.289 3.616 6.687 1.00 41.01 C ATOM 422 C LYS A1176 0.573 4.409 7.961 1.00 53.14 C ATOM 423 O LYS A1176 0.327 3.926 9.068 1.00 31.05 O ATOM 424 CB LYS A1176 -1.128 3.925 6.188 1.00 50.13 C ATOM 425 CG LYS A1176 -1.471 3.275 4.856 1.00 60.51 C ATOM 426 CD LYS A1176 -0.509 3.702 3.758 1.00 3.32 C ATOM 427 CE LYS A1176 -1.216 3.846 2.418 1.00 44.32 C ATOM 428 NZ LYS A1176 -0.253 3.888 1.282 1.00 42.40 N ATOM 0 H LYS A1176 -0.420 1.653 6.902 1.00 62.33 H new ATOM 0 HA LYS A1176 1.002 3.910 5.917 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -1.846 3.594 6.938 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -1.241 5.005 6.093 1.00 50.13 H new ATOM 0 HG2 LYS A1176 -1.444 2.191 4.962 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -2.489 3.542 4.572 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -0.045 4.650 4.029 1.00 3.32 H new ATOM 0 HD3 LYS A1176 0.292 2.968 3.670 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -1.904 3.012 2.280 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -1.815 4.757 2.420 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 -0.776 3.970 0.387 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 0.377 4.708 1.391 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 0.313 3.015 1.274 1.00 42.40 H new ATOM 442 N PRO A1177 1.099 5.641 7.823 1.00 43.21 N ATOM 443 CA PRO A1177 1.421 6.499 8.971 1.00 21.41 C ATOM 444 C PRO A1177 0.205 6.791 9.854 1.00 70.01 C ATOM 445 O PRO A1177 0.315 6.803 11.081 1.00 21.51 O ATOM 446 CB PRO A1177 1.946 7.792 8.330 1.00 41.24 C ATOM 447 CG PRO A1177 1.483 7.747 6.914 1.00 60.34 C ATOM 448 CD PRO A1177 1.426 6.293 6.545 1.00 32.13 C ATOM 0 HA PRO A1177 2.139 6.019 9.636 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.557 8.671 8.843 1.00 41.24 H new ATOM 0 HB3 PRO A1177 3.033 7.845 8.387 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.504 8.215 6.808 1.00 60.34 H new ATOM 0 HG3 PRO A1177 2.168 8.289 6.262 1.00 60.34 H new ATOM 0 HD2 PRO A1177 0.668 6.098 5.787 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.376 5.941 6.143 1.00 32.13 H new ATOM 456 N LYS A1178 -0.949 7.034 9.221 1.00 31.54 N ATOM 457 CA LYS A1178 -2.188 7.336 9.944 1.00 31.40 C ATOM 458 C LYS A1178 -2.581 6.230 10.940 1.00 61.44 C ATOM 459 O LYS A1178 -3.357 6.477 11.865 1.00 21.41 O ATOM 460 CB LYS A1178 -3.335 7.605 8.959 1.00 41.11 C ATOM 461 CG LYS A1178 -4.152 6.374 8.598 1.00 75.34 C ATOM 462 CD LYS A1178 -4.699 6.459 7.183 1.00 3.54 C ATOM 463 CE LYS A1178 -3.786 5.753 6.196 1.00 41.41 C ATOM 464 NZ LYS A1178 -4.243 5.924 4.788 1.00 34.11 N ATOM 0 H LYS A1178 -1.049 7.027 8.206 1.00 31.54 H new ATOM 0 HA LYS A1178 -1.999 8.236 10.530 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -4.000 8.354 9.389 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -2.921 8.033 8.046 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -3.531 5.483 8.695 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -4.977 6.266 9.302 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -5.692 6.012 7.147 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -4.810 7.505 6.896 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -2.773 6.142 6.298 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -3.745 4.691 6.437 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -3.591 5.426 4.149 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -5.200 5.529 4.683 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -4.258 6.936 4.548 1.00 34.11 H new ATOM 478 N PHE A1179 -2.044 5.017 10.751 1.00 11.35 N ATOM 479 CA PHE A1179 -2.342 3.888 11.636 1.00 74.35 C ATOM 480 C PHE A1179 -1.122 3.495 12.482 1.00 71.33 C ATOM 481 O PHE A1179 -1.119 2.438 13.119 1.00 74.31 O ATOM 482 CB PHE A1179 -2.831 2.696 10.811 1.00 0.15 C ATOM 483 CG PHE A1179 -4.192 2.912 10.205 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.335 2.818 10.982 1.00 51.03 C ATOM 485 CD2 PHE A1179 -4.328 3.218 8.859 1.00 1.32 C ATOM 486 CE1 PHE A1179 -6.586 3.024 10.430 1.00 13.33 C ATOM 487 CE2 PHE A1179 -5.575 3.424 8.302 1.00 71.30 C ATOM 488 CZ PHE A1179 -6.705 3.327 9.087 1.00 40.42 C ATOM 0 H PHE A1179 -1.400 4.795 9.992 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.130 4.195 12.324 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -2.114 2.495 10.015 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -2.860 1.810 11.446 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -5.248 2.581 12.032 1.00 51.03 H new ATOM 0 HD2 PHE A1179 -3.448 3.296 8.239 1.00 1.32 H new ATOM 0 HE1 PHE A1179 -7.469 2.948 11.048 1.00 13.33 H new ATOM 0 HE2 PHE A1179 -5.665 3.661 7.252 1.00 71.30 H new ATOM 0 HZ PHE A1179 -7.681 3.488 8.653 1.00 40.42 H new ATOM 498 N GLY A1180 -0.098 4.359 12.504 1.00 52.42 N ATOM 499 CA GLY A1180 1.095 4.094 13.296 1.00 4.40 C ATOM 500 C GLY A1180 2.209 3.385 12.536 1.00 41.34 C ATOM 501 O GLY A1180 3.264 3.115 13.113 1.00 12.42 O ATOM 0 H GLY A1180 -0.078 5.237 11.986 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.478 5.039 13.681 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.817 3.488 14.158 1.00 4.40 H new ATOM 505 N GLY A1181 1.990 3.070 11.256 1.00 31.22 N ATOM 506 CA GLY A1181 3.009 2.383 10.482 1.00 64.50 C ATOM 507 C GLY A1181 4.121 3.296 10.005 1.00 12.03 C ATOM 508 O GLY A1181 4.101 4.503 10.255 1.00 23.53 O ATOM 0 H GLY A1181 1.130 3.278 10.748 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.439 1.585 11.088 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.541 1.910 9.618 1.00 64.50 H new ATOM 512 N ARG A1182 5.093 2.707 9.312 1.00 74.12 N ATOM 513 CA ARG A1182 6.235 3.457 8.783 1.00 3.32 C ATOM 514 C ARG A1182 6.086 3.753 7.287 1.00 71.10 C ATOM 515 O ARG A1182 6.882 4.510 6.728 1.00 62.21 O ATOM 516 CB ARG A1182 7.553 2.712 9.047 1.00 0.14 C ATOM 517 CG ARG A1182 7.456 1.196 8.924 1.00 43.10 C ATOM 518 CD ARG A1182 7.155 0.532 10.263 1.00 64.42 C ATOM 519 NE ARG A1182 8.072 0.968 11.319 1.00 41.53 N ATOM 520 CZ ARG A1182 7.738 1.789 12.323 1.00 41.12 C ATOM 521 NH1 ARG A1182 6.504 2.280 12.423 1.00 53.13 N ATOM 522 NH2 ARG A1182 8.648 2.123 13.232 1.00 71.21 N ATOM 0 H ARG A1182 5.114 1.709 9.102 1.00 74.12 H new ATOM 0 HA ARG A1182 6.258 4.411 9.310 1.00 3.32 H new ATOM 0 HB2 ARG A1182 8.307 3.073 8.347 1.00 0.14 H new ATOM 0 HB3 ARG A1182 7.902 2.961 10.049 1.00 0.14 H new ATOM 0 HG2 ARG A1182 6.675 0.940 8.209 1.00 43.10 H new ATOM 0 HG3 ARG A1182 8.392 0.804 8.527 1.00 43.10 H new ATOM 0 HD2 ARG A1182 6.131 0.761 10.557 1.00 64.42 H new ATOM 0 HD3 ARG A1182 7.221 -0.550 10.152 1.00 64.42 H new ATOM 0 HE ARG A1182 9.031 0.622 11.287 1.00 41.53 H new ATOM 0 HH11 ARG A1182 5.799 2.032 11.729 1.00 53.13 H new ATOM 0 HH12 ARG A1182 6.264 2.904 13.193 1.00 53.13 H new ATOM 0 HH21 ARG A1182 9.597 1.754 13.163 1.00 71.21 H new ATOM 0 HH22 ARG A1182 8.398 2.748 13.998 1.00 71.21 H new ATOM 536 N ASN A1183 5.077 3.156 6.637 1.00 41.43 N ATOM 537 CA ASN A1183 4.839 3.360 5.208 1.00 51.41 C ATOM 538 C ASN A1183 5.834 2.554 4.374 1.00 55.15 C ATOM 539 O ASN A1183 6.601 3.103 3.581 1.00 54.11 O ATOM 540 CB ASN A1183 4.897 4.851 4.842 1.00 4.35 C ATOM 541 CG ASN A1183 3.986 5.195 3.676 1.00 5.11 C ATOM 542 OD1 ASN A1183 2.855 5.640 3.869 1.00 72.14 O ATOM 543 ND2 ASN A1183 4.474 4.990 2.457 1.00 30.02 N ATOM 0 H ASN A1183 4.412 2.526 7.084 1.00 41.43 H new ATOM 0 HA ASN A1183 3.835 3.002 4.981 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.614 5.447 5.710 1.00 4.35 H new ATOM 0 HB3 ASN A1183 5.923 5.121 4.591 1.00 4.35 H new ATOM 0 HD21 ASN A1183 3.905 5.203 1.638 1.00 30.02 H new ATOM 0 HD22 ASN A1183 5.417 4.619 2.341 1.00 30.02 H new ATOM 550 N ILE A1184 5.797 1.235 4.567 1.00 40.13 N ATOM 551 CA ILE A1184 6.671 0.313 3.850 1.00 12.01 C ATOM 552 C ILE A1184 5.951 -0.305 2.649 1.00 42.13 C ATOM 553 O ILE A1184 6.584 -0.647 1.649 1.00 61.31 O ATOM 554 CB ILE A1184 7.190 -0.805 4.791 1.00 12.40 C ATOM 555 CG1 ILE A1184 8.715 -0.858 4.744 1.00 34.52 C ATOM 556 CG2 ILE A1184 6.597 -2.168 4.443 1.00 50.22 C ATOM 557 CD1 ILE A1184 9.354 -0.756 6.104 1.00 24.03 C ATOM 0 H ILE A1184 5.162 0.780 5.223 1.00 40.13 H new ATOM 0 HA ILE A1184 7.524 0.885 3.486 1.00 12.01 H new ATOM 0 HB ILE A1184 6.867 -0.563 5.804 1.00 12.40 H new ATOM 0 HG12 ILE A1184 9.025 -1.791 4.273 1.00 34.52 H new ATOM 0 HG13 ILE A1184 9.081 -0.046 4.116 1.00 34.52 H new ATOM 0 HG21 ILE A1184 6.988 -2.921 5.128 1.00 50.22 H new ATOM 0 HG22 ILE A1184 5.511 -2.126 4.532 1.00 50.22 H new ATOM 0 HG23 ILE A1184 6.867 -2.432 3.421 1.00 50.22 H new ATOM 0 HD11 ILE A1184 10.438 -0.800 6.001 1.00 24.03 H new ATOM 0 HD12 ILE A1184 9.072 0.189 6.569 1.00 24.03 H new ATOM 0 HD13 ILE A1184 9.015 -1.583 6.728 1.00 24.03 H new ATOM 569 N LYS A1185 4.627 -0.445 2.759 1.00 22.13 N ATOM 570 CA LYS A1185 3.820 -1.019 1.691 1.00 41.34 C ATOM 571 C LYS A1185 3.527 0.034 0.632 1.00 65.14 C ATOM 572 O LYS A1185 3.633 -0.227 -0.568 1.00 73.52 O ATOM 573 CB LYS A1185 2.505 -1.583 2.249 1.00 2.33 C ATOM 574 CG LYS A1185 2.655 -2.913 2.978 1.00 2.30 C ATOM 575 CD LYS A1185 1.363 -3.305 3.686 1.00 72.33 C ATOM 576 CE LYS A1185 1.415 -4.729 4.226 1.00 71.00 C ATOM 577 NZ LYS A1185 1.324 -5.740 3.136 1.00 23.33 N ATOM 0 H LYS A1185 4.094 -0.166 3.583 1.00 22.13 H new ATOM 0 HA LYS A1185 4.382 -1.835 1.236 1.00 41.34 H new ATOM 0 HB2 LYS A1185 2.071 -0.854 2.933 1.00 2.33 H new ATOM 0 HB3 LYS A1185 1.799 -1.709 1.428 1.00 2.33 H new ATOM 0 HG2 LYS A1185 2.933 -3.691 2.267 1.00 2.30 H new ATOM 0 HG3 LYS A1185 3.464 -2.842 3.705 1.00 2.30 H new ATOM 0 HD2 LYS A1185 1.176 -2.613 4.507 1.00 72.33 H new ATOM 0 HD3 LYS A1185 0.527 -3.211 2.993 1.00 72.33 H new ATOM 0 HE2 LYS A1185 2.343 -4.874 4.779 1.00 71.00 H new ATOM 0 HE3 LYS A1185 0.597 -4.880 4.931 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 1.243 -6.691 3.550 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 0.487 -5.545 2.551 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 2.178 -5.691 2.545 1.00 23.33 H new ATOM 591 N LYS A1186 3.158 1.232 1.096 1.00 53.34 N ATOM 592 CA LYS A1186 2.842 2.356 0.222 1.00 34.15 C ATOM 593 C LYS A1186 1.845 1.935 -0.861 1.00 12.40 C ATOM 594 O LYS A1186 2.029 2.221 -2.035 1.00 50.03 O ATOM 595 CB LYS A1186 4.115 2.931 -0.424 1.00 44.31 C ATOM 596 CG LYS A1186 5.381 2.751 0.403 1.00 44.13 C ATOM 597 CD LYS A1186 6.369 1.824 -0.289 1.00 34.02 C ATOM 598 CE LYS A1186 7.767 1.956 0.297 1.00 63.44 C ATOM 599 NZ LYS A1186 8.627 2.863 -0.515 1.00 13.23 N ATOM 0 H LYS A1186 3.071 1.446 2.090 1.00 53.34 H new ATOM 0 HA LYS A1186 2.387 3.135 0.834 1.00 34.15 H new ATOM 0 HB2 LYS A1186 4.260 2.457 -1.395 1.00 44.31 H new ATOM 0 HB3 LYS A1186 3.965 3.995 -0.608 1.00 44.31 H new ATOM 0 HG2 LYS A1186 5.848 3.721 0.573 1.00 44.13 H new ATOM 0 HG3 LYS A1186 5.124 2.346 1.382 1.00 44.13 H new ATOM 0 HD2 LYS A1186 6.030 0.793 -0.193 1.00 34.02 H new ATOM 0 HD3 LYS A1186 6.398 2.052 -1.354 1.00 34.02 H new ATOM 0 HE2 LYS A1186 7.699 2.336 1.316 1.00 63.44 H new ATOM 0 HE3 LYS A1186 8.231 0.971 0.355 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 9.571 2.926 -0.082 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 8.713 2.487 -1.481 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 8.198 3.810 -0.549 1.00 13.23 H new ATOM 613 N GLN A1187 0.793 1.245 -0.451 1.00 50.40 N ATOM 614 CA GLN A1187 -0.219 0.767 -1.389 1.00 53.33 C ATOM 615 C GLN A1187 -1.623 1.039 -0.851 1.00 74.03 C ATOM 616 O GLN A1187 -1.786 1.480 0.290 1.00 12.15 O ATOM 617 CB GLN A1187 0.006 -0.740 -1.635 1.00 3.24 C ATOM 618 CG GLN A1187 -0.823 -1.350 -2.759 1.00 52.22 C ATOM 619 CD GLN A1187 -0.639 -0.642 -4.088 1.00 55.31 C ATOM 620 OE1 GLN A1187 -1.049 0.506 -4.253 1.00 35.23 O ATOM 621 NE2 GLN A1187 -0.026 -1.327 -5.047 1.00 25.41 N ATOM 0 H GLN A1187 0.615 1.002 0.523 1.00 50.40 H new ATOM 0 HA GLN A1187 -0.128 1.301 -2.335 1.00 53.33 H new ATOM 0 HB2 GLN A1187 1.061 -0.901 -1.856 1.00 3.24 H new ATOM 0 HB3 GLN A1187 -0.212 -1.278 -0.712 1.00 3.24 H new ATOM 0 HG2 GLN A1187 -0.552 -2.400 -2.873 1.00 52.22 H new ATOM 0 HG3 GLN A1187 -1.877 -1.321 -2.482 1.00 52.22 H new ATOM 0 HE21 GLN A1187 0.298 -2.277 -4.867 1.00 25.41 H new ATOM 0 HE22 GLN A1187 0.120 -0.903 -5.963 1.00 25.41 H new ATOM 630 N CYS A1188 -2.633 0.772 -1.673 1.00 24.13 N ATOM 631 CA CYS A1188 -4.022 0.987 -1.281 1.00 3.24 C ATOM 632 C CYS A1188 -4.487 -0.067 -0.270 1.00 43.41 C ATOM 633 O CYS A1188 -4.011 -1.204 -0.271 1.00 40.23 O ATOM 634 CB CYS A1188 -4.941 0.998 -2.505 1.00 43.51 C ATOM 635 SG CYS A1188 -4.855 -0.501 -3.513 1.00 5.43 S ATOM 0 H CYS A1188 -2.515 0.405 -2.617 1.00 24.13 H new ATOM 0 HA CYS A1188 -4.079 1.963 -0.799 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -5.969 1.139 -2.172 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -4.687 1.856 -3.128 1.00 43.51 H new ATOM 0 HG CYS A1188 -4.489 -1.503 -2.770 1.00 5.43 H new ATOM 641 N CYS A1189 -5.433 0.337 0.578 1.00 75.03 N ATOM 642 CA CYS A1189 -5.997 -0.555 1.600 1.00 5.21 C ATOM 643 C CYS A1189 -6.400 -1.902 0.992 1.00 3.23 C ATOM 644 O CYS A1189 -6.952 -1.955 -0.107 1.00 42.41 O ATOM 645 CB CYS A1189 -7.207 0.113 2.263 1.00 1.22 C ATOM 646 SG CYS A1189 -8.172 -0.973 3.335 1.00 22.22 S ATOM 0 H CYS A1189 -5.828 1.278 0.580 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.233 -0.742 2.354 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -6.860 0.964 2.848 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -7.860 0.507 1.484 1.00 1.22 H new ATOM 0 HG CYS A1189 -7.724 -0.891 4.553 1.00 22.22 H new ATOM 651 N LYS A1190 -6.121 -2.989 1.727 1.00 63.32 N ATOM 652 CA LYS A1190 -6.454 -4.354 1.291 1.00 34.02 C ATOM 653 C LYS A1190 -7.947 -4.496 0.974 1.00 55.43 C ATOM 654 O LYS A1190 -8.326 -5.216 0.049 1.00 3.24 O ATOM 655 CB LYS A1190 -6.076 -5.363 2.385 1.00 42.40 C ATOM 656 CG LYS A1190 -4.785 -6.122 2.120 1.00 41.11 C ATOM 657 CD LYS A1190 -3.564 -5.293 2.478 1.00 65.13 C ATOM 658 CE LYS A1190 -2.282 -5.945 1.984 1.00 71.24 C ATOM 659 NZ LYS A1190 -1.581 -5.107 0.972 1.00 34.12 N ATOM 0 H LYS A1190 -5.660 -2.948 2.636 1.00 63.32 H new ATOM 0 HA LYS A1190 -5.886 -4.556 0.383 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -5.984 -4.834 3.334 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -6.889 -6.081 2.497 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -4.780 -7.046 2.699 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -4.738 -6.404 1.068 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -3.658 -4.298 2.043 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -3.515 -5.165 3.559 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -1.617 -6.123 2.829 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -2.514 -6.918 1.550 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -0.940 -5.704 0.411 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -2.281 -4.664 0.343 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -1.032 -4.367 1.454 1.00 34.12 H new ATOM 673 N MET A1191 -8.781 -3.789 1.739 1.00 51.35 N ATOM 674 CA MET A1191 -10.231 -3.808 1.542 1.00 43.31 C ATOM 675 C MET A1191 -10.654 -2.839 0.436 1.00 42.42 C ATOM 676 O MET A1191 -11.785 -2.902 -0.049 1.00 52.24 O ATOM 677 CB MET A1191 -10.949 -3.450 2.847 1.00 14.25 C ATOM 678 CG MET A1191 -11.248 -4.651 3.730 1.00 23.42 C ATOM 679 SD MET A1191 -12.726 -4.424 4.737 1.00 75.10 S ATOM 680 CE MET A1191 -14.014 -4.634 3.509 1.00 20.12 C ATOM 0 H MET A1191 -8.473 -3.192 2.506 1.00 51.35 H new ATOM 0 HA MET A1191 -10.513 -4.817 1.240 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.336 -2.743 3.406 1.00 14.25 H new ATOM 0 HB3 MET A1191 -11.884 -2.943 2.609 1.00 14.25 H new ATOM 0 HG2 MET A1191 -11.372 -5.535 3.104 1.00 23.42 H new ATOM 0 HG3 MET A1191 -10.395 -4.839 4.382 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.708 -3.795 3.562 1.00 20.12 H new ATOM 0 HE2 MET A1191 -13.567 -4.672 2.516 1.00 20.12 H new ATOM 0 HE3 MET A1191 -14.552 -5.562 3.701 1.00 20.12 H new ATOM 690 N ARG A1192 -9.751 -1.933 0.051 1.00 70.22 N ATOM 691 CA ARG A1192 -10.049 -0.947 -0.981 1.00 25.23 C ATOM 692 C ARG A1192 -9.313 -1.226 -2.296 1.00 34.10 C ATOM 693 O ARG A1192 -9.508 -0.502 -3.276 1.00 21.31 O ATOM 694 CB ARG A1192 -9.693 0.456 -0.483 1.00 33.42 C ATOM 695 CG ARG A1192 -10.481 0.884 0.743 1.00 44.45 C ATOM 696 CD ARG A1192 -10.046 2.254 1.238 1.00 14.13 C ATOM 697 NE ARG A1192 -10.655 3.339 0.467 1.00 74.11 N ATOM 698 CZ ARG A1192 -10.517 4.633 0.761 1.00 43.31 C ATOM 699 NH1 ARG A1192 -9.799 5.014 1.816 1.00 72.34 N ATOM 700 NH2 ARG A1192 -11.099 5.550 -0.003 1.00 41.14 N ATOM 0 H ARG A1192 -8.811 -1.865 0.440 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.118 -1.015 -1.185 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -8.629 0.491 -0.251 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -9.868 1.173 -1.285 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -11.544 0.904 0.504 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -10.346 0.150 1.537 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -10.316 2.361 2.289 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -8.960 2.332 1.178 1.00 14.13 H new ATOM 0 HE ARG A1192 -11.220 3.090 -0.345 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -9.349 4.314 2.406 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -9.699 6.005 2.033 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -11.650 5.264 -0.812 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -10.995 6.540 0.220 1.00 41.14 H new ATOM 714 N LYS A1193 -8.480 -2.278 -2.332 1.00 12.22 N ATOM 715 CA LYS A1193 -7.746 -2.634 -3.546 1.00 53.34 C ATOM 716 C LYS A1193 -8.713 -3.031 -4.654 1.00 23.33 C ATOM 717 O LYS A1193 -9.486 -3.981 -4.514 1.00 10.03 O ATOM 718 CB LYS A1193 -6.759 -3.777 -3.260 1.00 52.02 C ATOM 719 CG LYS A1193 -6.142 -4.396 -4.509 1.00 53.24 C ATOM 720 CD LYS A1193 -5.351 -3.378 -5.319 1.00 44.42 C ATOM 721 CE LYS A1193 -3.855 -3.504 -5.071 1.00 34.02 C ATOM 722 NZ LYS A1193 -3.065 -2.571 -5.925 1.00 62.42 N ATOM 0 H LYS A1193 -8.302 -2.891 -1.536 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.180 -1.763 -3.876 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -5.960 -3.401 -2.622 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -7.275 -4.556 -2.699 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -5.487 -5.218 -4.220 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -6.930 -4.820 -5.131 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -5.557 -3.517 -6.380 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -5.680 -2.372 -5.060 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -3.644 -3.301 -4.021 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -3.540 -4.529 -5.267 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -2.050 -2.714 -5.748 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -3.272 -2.758 -6.927 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -3.321 -1.589 -5.696 1.00 62.42 H new ATOM 736 N CYS A1194 -8.658 -2.287 -5.755 1.00 72.22 N ATOM 737 CA CYS A1194 -9.518 -2.538 -6.899 1.00 10.42 C ATOM 738 C CYS A1194 -9.273 -3.932 -7.481 1.00 55.20 C ATOM 739 O CYS A1194 -8.133 -4.327 -7.733 1.00 0.11 O ATOM 740 CB CYS A1194 -9.285 -1.474 -7.971 1.00 74.32 C ATOM 741 SG CYS A1194 -10.344 -1.653 -9.420 1.00 0.41 S ATOM 0 H CYS A1194 -8.020 -1.500 -5.876 1.00 72.22 H new ATOM 0 HA CYS A1194 -10.553 -2.490 -6.562 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -9.448 -0.489 -7.533 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.243 -1.513 -8.288 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.431 -0.961 -9.251 1.00 0.41 H new ATOM 746 N GLN A1195 -10.365 -4.663 -7.685 1.00 50.31 N ATOM 747 CA GLN A1195 -10.317 -6.022 -8.234 1.00 20.22 C ATOM 748 C GLN A1195 -10.385 -6.037 -9.763 1.00 15.11 C ATOM 749 O GLN A1195 -10.284 -7.097 -10.384 1.00 43.24 O ATOM 750 CB GLN A1195 -11.466 -6.852 -7.664 1.00 45.21 C ATOM 751 CG GLN A1195 -10.990 -8.061 -6.892 1.00 43.13 C ATOM 752 CD GLN A1195 -11.643 -8.181 -5.527 1.00 50.42 C ATOM 753 OE1 GLN A1195 -12.510 -9.027 -5.314 1.00 71.33 O ATOM 754 NE2 GLN A1195 -11.229 -7.330 -4.593 1.00 42.22 N ATOM 0 H GLN A1195 -11.308 -4.335 -7.476 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.359 -6.454 -7.943 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -12.072 -6.225 -7.010 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -12.111 -7.179 -8.479 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -11.199 -8.961 -7.470 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -9.908 -8.005 -6.769 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -10.507 -6.644 -4.812 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -11.633 -7.364 -3.657 1.00 42.22 H new ATOM 763 N ASN A1196 -10.560 -4.864 -10.362 1.00 31.31 N ATOM 764 CA ASN A1196 -10.648 -4.737 -11.816 1.00 53.34 C ATOM 765 C ASN A1196 -9.997 -3.438 -12.295 1.00 64.12 C ATOM 766 O ASN A1196 -10.646 -2.597 -12.923 1.00 45.42 O ATOM 767 CB ASN A1196 -12.114 -4.794 -12.264 1.00 22.42 C ATOM 768 CG ASN A1196 -12.784 -6.109 -11.903 1.00 75.25 C ATOM 769 OD1 ASN A1196 -13.456 -6.212 -10.876 1.00 22.25 O ATOM 770 ND2 ASN A1196 -12.602 -7.121 -12.744 1.00 70.22 N ATOM 0 H ASN A1196 -10.644 -3.980 -9.860 1.00 31.31 H new ATOM 0 HA ASN A1196 -10.107 -5.571 -12.264 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -12.663 -3.972 -11.804 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -12.166 -4.648 -13.343 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -13.027 -8.028 -12.550 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -12.037 -6.991 -13.584 1.00 70.22 H new ATOM 777 N LEU A1197 -8.704 -3.286 -11.996 1.00 41.12 N ATOM 778 CA LEU A1197 -7.952 -2.096 -12.394 1.00 72.14 C ATOM 779 C LEU A1197 -7.941 -1.929 -13.908 1.00 40.01 C ATOM 780 O LEU A1197 -7.856 -2.907 -14.654 1.00 52.43 O ATOM 781 CB LEU A1197 -6.514 -2.168 -11.870 1.00 60.33 C ATOM 782 CG LEU A1197 -6.261 -1.435 -10.547 1.00 11.12 C ATOM 783 CD1 LEU A1197 -4.775 -1.190 -10.358 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.023 -0.118 -10.498 1.00 53.11 C ATOM 0 H LEU A1197 -8.157 -3.974 -11.479 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.450 -1.231 -11.956 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.243 -3.216 -11.743 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -5.848 -1.756 -12.628 1.00 60.33 H new ATOM 0 HG LEU A1197 -6.622 -2.066 -9.735 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -4.609 -0.669 -9.415 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -4.248 -2.144 -10.343 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.399 -0.581 -11.180 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -6.826 0.381 -9.549 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.698 0.521 -11.319 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.092 -0.312 -10.591 1.00 53.11 H new