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: A1195 GLN : amide:sc= -0.0434 X(o=0.094,f=-0.038) USER MOD Set 1.2: A1196 ASN : amide:sc= 0.138 X(o=0.094,f=-0.038) USER MOD Set 2.1: A1167 CYS SG : rot -140:sc= -0.749 USER MOD Set 2.2: A1170 CYS SG : rot -142:sc= -0.879! USER MOD Set 2.3: A1173 CYS SG : rot 79:sc= -4.14! USER MOD Set 2.4: A1189 CYS SG : rot 102:sc= -0.502 USER MOD Set 3.1: A1172 ASN :FLIP amide:sc= -2.39! C(o=-5.6!,f=-3!) USER MOD Set 3.2: A1187 GLN :FLIP amide:sc= -0.563 F(o=-3.5,f=-3) USER MOD Set 4.1: A1171 THR OG1 : rot -94:sc= -4.36! USER MOD Set 4.2: A1185 LYS NZ :NH3+ 163:sc= 0.086 (180deg=-0.468) USER MOD Set 5.1: A1155 CYS SG : rot -54:sc= -0.989 USER MOD Set 5.2: A1158 CYS SG : rot -62:sc= 1.23 USER MOD Set 5.3: A1161 CYS SG : rot 31:sc= -4.43! USER MOD Set 5.4: A1194 CYS SG : rot 20:sc= -0.0436 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -0.647 K(o=-0.65,f=-4.4!) USER MOD Single : A1176 LYS NZ :NH3+ -138:sc= 0.154 (180deg=-0.108) USER MOD Single : A1178 LYS NZ :NH3+ -147:sc= 0.0882 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -0.221 K(o=-0.22,f=-5.3!) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1188 CYS SG : rot 180:sc=-0.000322 USER MOD Single : A1190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1191 MET CE :methyl -134:sc= -0.336 (180deg=-2.69!) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -6.401 2.681 -13.300 1.00 33.42 N ATOM 112 CA ARG A1153 -7.545 3.431 -12.788 1.00 41.43 C ATOM 113 C ARG A1153 -8.603 2.519 -12.178 1.00 11.15 C ATOM 114 O ARG A1153 -8.973 1.505 -12.767 1.00 31.14 O ATOM 115 CB ARG A1153 -8.171 4.243 -13.926 1.00 14.30 C ATOM 116 CG ARG A1153 -9.194 5.270 -13.460 1.00 73.14 C ATOM 117 CD ARG A1153 -8.551 6.354 -12.607 1.00 1.24 C ATOM 118 NE ARG A1153 -8.884 6.207 -11.189 1.00 23.40 N ATOM 119 CZ ARG A1153 -8.059 6.527 -10.186 1.00 2.31 C ATOM 120 NH1 ARG A1153 -6.849 7.023 -10.433 1.00 44.11 N ATOM 121 NH2 ARG A1153 -8.452 6.352 -8.929 1.00 74.32 N ATOM 0 HA ARG A1153 -7.182 4.092 -12.001 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -7.379 4.755 -14.472 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -8.650 3.559 -14.626 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -9.674 5.725 -14.326 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -9.976 4.771 -12.887 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -7.469 6.318 -12.731 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -8.879 7.333 -12.957 1.00 1.24 H new ATOM 0 HE ARG A1153 -9.804 5.837 -10.951 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -6.542 7.163 -11.396 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -6.229 7.263 -9.660 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -9.379 5.975 -8.732 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -7.827 6.594 -8.161 1.00 74.32 H new ATOM 135 N ARG A1154 -9.103 2.900 -11.004 1.00 52.40 N ATOM 136 CA ARG A1154 -10.139 2.125 -10.324 1.00 62.14 C ATOM 137 C ARG A1154 -11.398 2.072 -11.197 1.00 30.30 C ATOM 138 O ARG A1154 -11.828 3.097 -11.730 1.00 74.42 O ATOM 139 CB ARG A1154 -10.466 2.764 -8.968 1.00 45.41 C ATOM 140 CG ARG A1154 -9.740 2.135 -7.783 1.00 23.13 C ATOM 141 CD ARG A1154 -8.276 1.849 -8.089 1.00 3.20 C ATOM 142 NE ARG A1154 -7.502 3.071 -8.313 1.00 15.22 N ATOM 143 CZ ARG A1154 -6.192 3.089 -8.570 1.00 23.13 C ATOM 144 NH1 ARG A1154 -5.497 1.953 -8.613 1.00 2.55 N ATOM 145 NH2 ARG A1154 -5.574 4.245 -8.778 1.00 40.44 N ATOM 0 H ARG A1154 -8.808 3.739 -10.505 1.00 52.40 H new ATOM 0 HA ARG A1154 -9.777 1.111 -10.156 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -10.216 3.824 -9.010 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -11.540 2.696 -8.798 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -9.806 2.802 -6.924 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -10.239 1.207 -7.505 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -7.837 1.291 -7.262 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -8.210 1.214 -8.972 1.00 3.20 H new ATOM 0 HE ARG A1154 -7.994 3.964 -8.270 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -5.966 1.062 -8.449 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -4.496 1.974 -8.810 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -6.100 5.118 -8.741 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -4.573 4.260 -8.974 1.00 40.44 H new ATOM 159 N CYS A1155 -11.979 0.880 -11.354 1.00 23.05 N ATOM 160 CA CYS A1155 -13.178 0.703 -12.176 1.00 1.11 C ATOM 161 C CYS A1155 -14.360 1.516 -11.648 1.00 10.20 C ATOM 162 O CYS A1155 -15.072 2.152 -12.429 1.00 75.34 O ATOM 163 CB CYS A1155 -13.559 -0.776 -12.269 1.00 33.23 C ATOM 164 SG CYS A1155 -13.784 -1.597 -10.679 1.00 53.42 S ATOM 0 H CYS A1155 -11.637 0.022 -10.922 1.00 23.05 H new ATOM 0 HA CYS A1155 -12.938 1.073 -13.173 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.482 -0.864 -12.842 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.785 -1.302 -12.828 1.00 33.23 H new ATOM 0 HG CYS A1155 -12.718 -1.435 -9.952 1.00 53.42 H new ATOM 169 N GLY A1156 -14.569 1.499 -10.329 1.00 23.42 N ATOM 170 CA GLY A1156 -15.669 2.246 -9.741 1.00 72.43 C ATOM 171 C GLY A1156 -16.904 1.396 -9.462 1.00 43.32 C ATOM 172 O GLY A1156 -17.863 1.886 -8.864 1.00 3.12 O ATOM 0 H GLY A1156 -13.997 0.982 -9.661 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.332 2.699 -8.809 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -15.943 3.061 -10.411 1.00 72.43 H new ATOM 176 N GLN A1157 -16.896 0.134 -9.906 1.00 34.13 N ATOM 177 CA GLN A1157 -18.049 -0.752 -9.701 1.00 5.23 C ATOM 178 C GLN A1157 -17.701 -2.016 -8.901 1.00 54.32 C ATOM 179 O GLN A1157 -18.602 -2.745 -8.481 1.00 24.22 O ATOM 180 CB GLN A1157 -18.661 -1.143 -11.049 1.00 1.14 C ATOM 181 CG GLN A1157 -20.158 -0.888 -11.137 1.00 4.15 C ATOM 182 CD GLN A1157 -20.971 -1.864 -10.306 1.00 45.04 C ATOM 183 OE1 GLN A1157 -21.283 -2.967 -10.754 1.00 51.54 O ATOM 184 NE2 GLN A1157 -21.318 -1.466 -9.085 1.00 12.22 N ATOM 0 H GLN A1157 -16.115 -0.293 -10.404 1.00 34.13 H new ATOM 0 HA GLN A1157 -18.773 -0.190 -9.111 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -18.159 -0.587 -11.841 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -18.470 -2.200 -11.232 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -20.369 0.128 -10.805 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -20.473 -0.955 -12.178 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -21.039 -0.543 -8.751 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -21.863 -2.083 -8.483 1.00 12.22 H new ATOM 193 N CYS A1158 -16.410 -2.282 -8.693 1.00 21.34 N ATOM 194 CA CYS A1158 -15.994 -3.472 -7.948 1.00 11.34 C ATOM 195 C CYS A1158 -16.137 -3.262 -6.439 1.00 1.24 C ATOM 196 O CYS A1158 -16.164 -2.126 -5.960 1.00 10.22 O ATOM 197 CB CYS A1158 -14.556 -3.859 -8.305 1.00 53.42 C ATOM 198 SG CYS A1158 -13.287 -2.868 -7.488 1.00 41.45 S ATOM 0 H CYS A1158 -15.643 -1.698 -9.025 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.654 -4.291 -8.235 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -14.401 -4.907 -8.048 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -14.427 -3.773 -9.384 1.00 53.42 H new ATOM 0 HG CYS A1158 -13.403 -1.626 -7.855 1.00 41.45 H new ATOM 203 N PRO A1159 -16.243 -4.367 -5.669 1.00 13.34 N ATOM 204 CA PRO A1159 -16.400 -4.314 -4.206 1.00 52.32 C ATOM 205 C PRO A1159 -15.269 -3.564 -3.502 1.00 10.44 C ATOM 206 O PRO A1159 -15.495 -2.913 -2.480 1.00 34.34 O ATOM 207 CB PRO A1159 -16.411 -5.789 -3.786 1.00 33.14 C ATOM 208 CG PRO A1159 -16.798 -6.536 -5.015 1.00 53.42 C ATOM 209 CD PRO A1159 -16.235 -5.754 -6.167 1.00 42.13 C ATOM 0 HA PRO A1159 -17.302 -3.769 -3.927 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.432 -6.104 -3.424 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -17.121 -5.964 -2.978 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -16.397 -7.550 -4.998 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -17.882 -6.623 -5.094 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -15.228 -6.084 -6.424 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.845 -5.863 -7.064 1.00 42.13 H new ATOM 217 N GLY A1160 -14.060 -3.632 -4.068 1.00 75.21 N ATOM 218 CA GLY A1160 -12.928 -2.925 -3.490 1.00 43.32 C ATOM 219 C GLY A1160 -13.086 -1.420 -3.623 1.00 4.10 C ATOM 220 O GLY A1160 -12.807 -0.671 -2.686 1.00 54.55 O ATOM 0 H GLY A1160 -13.848 -4.163 -4.913 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -12.831 -3.190 -2.437 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -12.009 -3.241 -3.984 1.00 43.32 H new ATOM 224 N CYS A1161 -13.564 -0.985 -4.793 1.00 41.14 N ATOM 225 CA CYS A1161 -13.801 0.429 -5.073 1.00 54.42 C ATOM 226 C CYS A1161 -15.007 0.951 -4.288 1.00 32.30 C ATOM 227 O CYS A1161 -15.138 2.157 -4.073 1.00 53.41 O ATOM 228 CB CYS A1161 -14.027 0.646 -6.571 1.00 63.34 C ATOM 229 SG CYS A1161 -12.516 0.613 -7.558 1.00 42.02 S ATOM 0 H CYS A1161 -13.796 -1.604 -5.569 1.00 41.14 H new ATOM 0 HA CYS A1161 -12.917 0.984 -4.759 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -14.706 -0.123 -6.940 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -14.523 1.606 -6.717 1.00 63.34 H new ATOM 0 HG CYS A1161 -11.654 -0.188 -7.005 1.00 42.02 H new ATOM 234 N GLN A1162 -15.892 0.036 -3.875 1.00 33.23 N ATOM 235 CA GLN A1162 -17.094 0.397 -3.131 1.00 41.33 C ATOM 236 C GLN A1162 -16.804 0.603 -1.643 1.00 43.34 C ATOM 237 O GLN A1162 -17.612 1.217 -0.946 1.00 22.15 O ATOM 238 CB GLN A1162 -18.175 -0.673 -3.321 1.00 63.42 C ATOM 239 CG GLN A1162 -18.844 -0.616 -4.687 1.00 70.05 C ATOM 240 CD GLN A1162 -19.627 -1.876 -5.015 1.00 21.00 C ATOM 241 OE1 GLN A1162 -19.052 -2.952 -5.178 1.00 64.12 O ATOM 242 NE2 GLN A1162 -20.945 -1.746 -5.121 1.00 3.02 N ATOM 0 H GLN A1162 -15.793 -0.964 -4.047 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.455 1.346 -3.527 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -17.730 -1.658 -3.183 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -18.934 -0.555 -2.547 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -19.515 0.242 -4.722 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -18.084 -0.457 -5.452 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -21.381 -0.835 -4.978 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -21.521 -2.557 -5.346 1.00 3.02 H new ATOM 251 N VAL A1163 -15.643 0.140 -1.159 1.00 50.22 N ATOM 252 CA VAL A1163 -15.280 0.349 0.241 1.00 63.43 C ATOM 253 C VAL A1163 -14.879 1.817 0.412 1.00 1.44 C ATOM 254 O VAL A1163 -13.881 2.264 -0.159 1.00 23.11 O ATOM 255 CB VAL A1163 -14.141 -0.598 0.695 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.498 -0.125 1.991 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.669 -2.014 0.856 1.00 45.33 C ATOM 0 H VAL A1163 -14.953 -0.372 -1.708 1.00 50.22 H new ATOM 0 HA VAL A1163 -16.136 0.115 0.874 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.373 -0.587 -0.078 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.704 -0.815 2.276 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -13.079 0.871 1.847 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -14.250 -0.091 2.779 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -13.859 -2.670 1.175 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.461 -2.024 1.605 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -15.066 -2.365 -0.097 1.00 45.33 H new ATOM 267 N PRO A1164 -15.691 2.601 1.149 1.00 71.44 N ATOM 268 CA PRO A1164 -15.453 4.040 1.327 1.00 13.33 C ATOM 269 C PRO A1164 -14.343 4.398 2.313 1.00 5.30 C ATOM 270 O PRO A1164 -13.818 5.512 2.262 1.00 5.32 O ATOM 271 CB PRO A1164 -16.799 4.548 1.846 1.00 15.33 C ATOM 272 CG PRO A1164 -17.385 3.385 2.566 1.00 1.11 C ATOM 273 CD PRO A1164 -16.936 2.163 1.814 1.00 3.53 C ATOM 0 HA PRO A1164 -15.112 4.486 0.393 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -16.671 5.402 2.511 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -17.442 4.874 1.028 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -17.043 3.354 3.601 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -18.473 3.450 2.592 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.758 1.323 2.485 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.685 1.840 1.091 1.00 3.53 H new ATOM 281 N GLU A1165 -13.987 3.480 3.217 1.00 65.22 N ATOM 282 CA GLU A1165 -12.948 3.771 4.203 1.00 11.42 C ATOM 283 C GLU A1165 -12.089 2.552 4.525 1.00 40.05 C ATOM 284 O GLU A1165 -12.569 1.416 4.539 1.00 72.02 O ATOM 285 CB GLU A1165 -13.574 4.299 5.498 1.00 54.32 C ATOM 286 CG GLU A1165 -14.385 5.574 5.321 1.00 74.44 C ATOM 287 CD GLU A1165 -15.724 5.518 6.032 1.00 4.32 C ATOM 288 OE1 GLU A1165 -15.780 5.884 7.225 1.00 55.43 O ATOM 289 OE2 GLU A1165 -16.717 5.110 5.393 1.00 4.11 O ATOM 0 H GLU A1165 -14.395 2.548 3.285 1.00 65.22 H new ATOM 0 HA GLU A1165 -12.302 4.529 3.760 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -14.218 3.527 5.919 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -12.781 4.483 6.223 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -13.812 6.420 5.700 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -14.549 5.751 4.258 1.00 74.44 H new ATOM 296 N ASP A1166 -10.817 2.822 4.816 1.00 52.42 N ATOM 297 CA ASP A1166 -9.855 1.785 5.185 1.00 54.32 C ATOM 298 C ASP A1166 -10.341 1.012 6.407 1.00 24.20 C ATOM 299 O ASP A1166 -10.787 1.604 7.394 1.00 4.45 O ATOM 300 CB ASP A1166 -8.472 2.394 5.474 1.00 42.32 C ATOM 301 CG ASP A1166 -8.530 3.805 6.035 1.00 32.30 C ATOM 302 OD1 ASP A1166 -9.050 3.981 7.157 1.00 11.20 O ATOM 303 OD2 ASP A1166 -8.053 4.735 5.351 1.00 1.41 O ATOM 0 H ASP A1166 -10.425 3.764 4.803 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.766 1.100 4.342 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -7.943 1.753 6.180 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.889 2.403 4.553 1.00 42.32 H new ATOM 308 N CYS A1167 -10.252 -0.314 6.328 1.00 33.35 N ATOM 309 CA CYS A1167 -10.682 -1.186 7.424 1.00 12.51 C ATOM 310 C CYS A1167 -9.935 -0.864 8.723 1.00 3.00 C ATOM 311 O CYS A1167 -10.506 -0.936 9.812 1.00 75.13 O ATOM 312 CB CYS A1167 -10.504 -2.662 7.052 1.00 20.21 C ATOM 313 SG CYS A1167 -8.812 -3.128 6.625 1.00 63.11 S ATOM 0 H CYS A1167 -9.886 -0.811 5.516 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.742 -0.999 7.593 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -10.837 -3.277 7.888 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -11.155 -2.892 6.208 1.00 20.21 H new ATOM 0 HG CYS A1167 -8.829 -3.952 5.619 1.00 63.11 H new ATOM 318 N GLY A1168 -8.658 -0.490 8.588 1.00 61.35 N ATOM 319 CA GLY A1168 -7.848 -0.136 9.742 1.00 61.11 C ATOM 320 C GLY A1168 -7.167 -1.317 10.421 1.00 41.43 C ATOM 321 O GLY A1168 -6.387 -1.117 11.353 1.00 11.55 O ATOM 0 H GLY A1168 -8.172 -0.427 7.693 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -7.085 0.577 9.430 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.479 0.372 10.471 1.00 61.11 H new ATOM 325 N VAL A1169 -7.463 -2.543 9.981 1.00 5.14 N ATOM 326 CA VAL A1169 -6.864 -3.729 10.595 1.00 10.32 C ATOM 327 C VAL A1169 -5.947 -4.506 9.640 1.00 1.33 C ATOM 328 O VAL A1169 -5.142 -5.326 10.085 1.00 0.21 O ATOM 329 CB VAL A1169 -7.940 -4.686 11.153 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.668 -4.050 12.327 1.00 64.11 C ATOM 331 CG2 VAL A1169 -8.924 -5.092 10.063 1.00 34.30 C ATOM 0 H VAL A1169 -8.105 -2.738 9.213 1.00 5.14 H new ATOM 0 HA VAL A1169 -6.252 -3.349 11.413 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.440 -5.587 11.509 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -9.422 -4.741 12.705 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -7.954 -3.823 13.119 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -9.151 -3.129 12.000 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.672 -5.766 10.481 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -9.416 -4.203 9.668 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -8.389 -5.598 9.259 1.00 34.30 H new ATOM 341 N CYS A1170 -6.065 -4.246 8.333 1.00 31.54 N ATOM 342 CA CYS A1170 -5.244 -4.919 7.334 1.00 20.33 C ATOM 343 C CYS A1170 -3.830 -4.344 7.322 1.00 31.20 C ATOM 344 O CYS A1170 -3.613 -3.180 7.658 1.00 41.54 O ATOM 345 CB CYS A1170 -5.896 -4.803 5.956 1.00 20.04 C ATOM 346 SG CYS A1170 -5.615 -3.223 5.128 1.00 33.30 S ATOM 0 H CYS A1170 -6.725 -3.571 7.947 1.00 31.54 H new ATOM 0 HA CYS A1170 -5.171 -5.975 7.593 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -5.519 -5.604 5.321 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -6.970 -4.958 6.061 1.00 20.04 H new ATOM 0 HG CYS A1170 -6.692 -2.869 4.492 1.00 33.30 H new ATOM 351 N THR A1171 -2.876 -5.186 6.937 1.00 13.53 N ATOM 352 CA THR A1171 -1.461 -4.798 6.881 1.00 51.14 C ATOM 353 C THR A1171 -1.212 -3.548 6.024 1.00 25.34 C ATOM 354 O THR A1171 -0.255 -2.815 6.274 1.00 45.43 O ATOM 355 CB THR A1171 -0.588 -5.946 6.355 1.00 43.21 C ATOM 356 OG1 THR A1171 0.658 -5.460 5.964 1.00 64.41 O ATOM 357 CG2 THR A1171 -1.174 -6.689 5.176 1.00 25.44 C ATOM 0 H THR A1171 -3.054 -6.150 6.656 1.00 13.53 H new ATOM 0 HA THR A1171 -1.184 -4.562 7.908 1.00 51.14 H new ATOM 0 HB THR A1171 -0.516 -6.647 7.187 1.00 43.21 H new ATOM 0 HG1 THR A1171 0.646 -5.263 5.004 1.00 64.41 H new ATOM 0 HG21 THR A1171 -0.492 -7.482 4.870 1.00 25.44 H new ATOM 0 HG22 THR A1171 -2.132 -7.124 5.460 1.00 25.44 H new ATOM 0 HG23 THR A1171 -1.321 -5.997 4.347 1.00 25.44 H new ATOM 365 N ASN A1172 -2.055 -3.304 5.018 1.00 64.24 N ATOM 366 CA ASN A1172 -1.874 -2.137 4.150 1.00 51.03 C ATOM 367 C ASN A1172 -2.224 -0.863 4.912 1.00 13.52 C ATOM 368 O ASN A1172 -1.500 0.131 4.844 1.00 4.51 O ATOM 369 CB ASN A1172 -2.739 -2.257 2.886 1.00 22.23 C ATOM 370 CG ASN A1172 -2.317 -3.394 1.953 1.00 72.54 C ATOM 371 OD1 ASN A1172 -1.244 -4.108 2.287 1.00 70.45 O flip ATOM 372 ND2 ASN A1172 -2.959 -3.631 0.932 1.00 72.54 N flip ATOM 0 H ASN A1172 -2.858 -3.889 4.786 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.829 -2.092 3.843 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -3.777 -2.408 3.181 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -2.697 -1.316 2.338 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -3.777 -3.067 0.702 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -2.674 -4.392 0.315 1.00 72.54 H new ATOM 379 N CYS A1173 -3.320 -0.918 5.662 1.00 72.10 N ATOM 380 CA CYS A1173 -3.761 0.206 6.475 1.00 51.15 C ATOM 381 C CYS A1173 -2.773 0.450 7.607 1.00 32.02 C ATOM 382 O CYS A1173 -2.375 1.588 7.855 1.00 1.11 O ATOM 383 CB CYS A1173 -5.147 -0.075 7.059 1.00 10.14 C ATOM 384 SG CYS A1173 -6.486 0.055 5.858 1.00 43.23 S ATOM 0 H CYS A1173 -3.923 -1.738 5.722 1.00 72.10 H new ATOM 0 HA CYS A1173 -3.812 1.093 5.843 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -5.153 -1.077 7.488 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -5.335 0.623 7.875 1.00 10.14 H new ATOM 0 HG CYS A1173 -6.533 -1.029 5.142 1.00 43.23 H new ATOM 389 N LEU A1174 -2.363 -0.628 8.280 1.00 55.10 N ATOM 390 CA LEU A1174 -1.402 -0.526 9.377 1.00 75.13 C ATOM 391 C LEU A1174 -0.074 0.061 8.899 1.00 24.23 C ATOM 392 O LEU A1174 0.598 0.769 9.650 1.00 21.32 O ATOM 393 CB LEU A1174 -1.168 -1.892 10.026 1.00 12.24 C ATOM 394 CG LEU A1174 -2.433 -2.611 10.498 1.00 14.22 C ATOM 395 CD1 LEU A1174 -2.096 -3.999 11.019 1.00 44.35 C ATOM 396 CD2 LEU A1174 -3.141 -1.791 11.565 1.00 44.31 C ATOM 0 H LEU A1174 -2.681 -1.577 8.084 1.00 55.10 H new ATOM 0 HA LEU A1174 -1.826 0.148 10.121 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.650 -2.532 9.312 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.503 -1.762 10.879 1.00 12.24 H new ATOM 0 HG LEU A1174 -3.106 -2.722 9.648 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -3.008 -4.495 11.350 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.633 -4.584 10.224 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.404 -3.915 11.857 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -4.039 -2.316 11.891 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -2.475 -1.649 12.416 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.417 -0.820 11.154 1.00 44.31 H new ATOM 408 N ASP A1175 0.300 -0.238 7.649 1.00 70.13 N ATOM 409 CA ASP A1175 1.552 0.264 7.084 1.00 70.13 C ATOM 410 C ASP A1175 1.503 1.783 6.895 1.00 61.50 C ATOM 411 O ASP A1175 2.530 2.455 6.981 1.00 5.34 O ATOM 412 CB ASP A1175 1.882 -0.452 5.762 1.00 65.04 C ATOM 413 CG ASP A1175 2.067 0.493 4.585 1.00 40.44 C ATOM 414 OD1 ASP A1175 3.180 1.036 4.430 1.00 32.31 O ATOM 415 OD2 ASP A1175 1.101 0.686 3.818 1.00 22.11 O ATOM 0 H ASP A1175 -0.245 -0.822 7.015 1.00 70.13 H new ATOM 0 HA ASP A1175 2.352 0.046 7.792 1.00 70.13 H new ATOM 0 HB2 ASP A1175 2.792 -1.037 5.893 1.00 65.04 H new ATOM 0 HB3 ASP A1175 1.082 -1.155 5.530 1.00 65.04 H new ATOM 420 N LYS A1176 0.302 2.319 6.656 1.00 62.33 N ATOM 421 CA LYS A1176 0.129 3.757 6.480 1.00 41.01 C ATOM 422 C LYS A1176 0.389 4.485 7.798 1.00 53.14 C ATOM 423 O LYS A1176 0.085 3.962 8.872 1.00 31.05 O ATOM 424 CB LYS A1176 -1.285 4.067 5.980 1.00 50.13 C ATOM 425 CG LYS A1176 -1.452 3.897 4.476 1.00 60.51 C ATOM 426 CD LYS A1176 -2.663 3.041 4.138 1.00 3.32 C ATOM 427 CE LYS A1176 -3.645 3.785 3.243 1.00 44.32 C ATOM 428 NZ LYS A1176 -3.676 3.226 1.862 1.00 42.40 N ATOM 0 H LYS A1176 -0.559 1.778 6.581 1.00 62.33 H new ATOM 0 HA LYS A1176 0.847 4.104 5.737 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -1.993 3.415 6.492 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -1.541 5.091 6.252 1.00 50.13 H new ATOM 0 HG2 LYS A1176 -1.556 4.876 4.008 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -0.555 3.439 4.060 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -2.336 2.128 3.640 1.00 3.32 H new ATOM 0 HD3 LYS A1176 -3.165 2.740 5.058 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -4.643 3.732 3.678 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -3.371 4.839 3.201 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 -3.707 4.004 1.173 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 -2.823 2.654 1.700 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 -4.520 2.629 1.748 1.00 42.40 H new ATOM 442 N PRO A1177 0.963 5.702 7.738 1.00 43.21 N ATOM 443 CA PRO A1177 1.268 6.496 8.934 1.00 21.41 C ATOM 444 C PRO A1177 0.040 6.749 9.810 1.00 70.01 C ATOM 445 O PRO A1177 0.134 6.732 11.038 1.00 21.51 O ATOM 446 CB PRO A1177 1.814 7.818 8.374 1.00 41.24 C ATOM 447 CG PRO A1177 1.419 7.833 6.936 1.00 60.34 C ATOM 448 CD PRO A1177 1.362 6.398 6.505 1.00 32.13 C ATOM 0 HA PRO A1177 1.971 5.976 9.585 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.395 8.672 8.905 1.00 41.24 H new ATOM 0 HB3 PRO A1177 2.897 7.874 8.484 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.452 8.319 6.803 1.00 60.34 H new ATOM 0 HG3 PRO A1177 2.141 8.391 6.339 1.00 60.34 H new ATOM 0 HD2 PRO A1177 0.640 6.245 5.703 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.326 6.048 6.137 1.00 32.13 H new ATOM 456 N LYS A1178 -1.110 6.994 9.169 1.00 31.54 N ATOM 457 CA LYS A1178 -2.364 7.261 9.882 1.00 31.40 C ATOM 458 C LYS A1178 -2.743 6.139 10.861 1.00 61.44 C ATOM 459 O LYS A1178 -3.516 6.367 11.794 1.00 21.41 O ATOM 460 CB LYS A1178 -3.506 7.499 8.887 1.00 41.11 C ATOM 461 CG LYS A1178 -3.862 6.277 8.052 1.00 75.34 C ATOM 462 CD LYS A1178 -5.010 6.568 7.096 1.00 3.54 C ATOM 463 CE LYS A1178 -6.362 6.425 7.780 1.00 41.41 C ATOM 464 NZ LYS A1178 -7.408 7.263 7.130 1.00 34.11 N ATOM 0 H LYS A1178 -1.197 7.013 8.153 1.00 31.54 H new ATOM 0 HA LYS A1178 -2.201 8.162 10.474 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -4.391 7.822 9.435 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -3.229 8.315 8.219 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -2.988 5.956 7.485 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -4.136 5.453 8.710 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -4.907 7.579 6.701 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -4.958 5.887 6.247 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -6.670 5.380 7.759 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -6.270 6.709 8.828 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -8.084 7.593 7.848 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -6.961 8.083 6.672 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -7.910 6.699 6.415 1.00 34.11 H new ATOM 478 N PHE A1179 -2.201 4.934 10.652 1.00 11.35 N ATOM 479 CA PHE A1179 -2.490 3.793 11.525 1.00 74.35 C ATOM 480 C PHE A1179 -1.271 3.401 12.369 1.00 71.33 C ATOM 481 O PHE A1179 -1.247 2.323 12.969 1.00 74.31 O ATOM 482 CB PHE A1179 -2.969 2.605 10.689 1.00 0.15 C ATOM 483 CG PHE A1179 -4.409 2.724 10.275 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.425 2.552 11.201 1.00 51.03 C ATOM 485 CD2 PHE A1179 -4.746 3.019 8.963 1.00 1.32 C ATOM 486 CE1 PHE A1179 -6.750 2.672 10.828 1.00 13.33 C ATOM 487 CE2 PHE A1179 -6.070 3.137 8.584 1.00 71.30 C ATOM 488 CZ PHE A1179 -7.073 2.964 9.518 1.00 40.42 C ATOM 0 H PHE A1179 -1.560 4.725 9.886 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.281 4.088 12.214 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -2.346 2.519 9.799 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -2.835 1.687 11.261 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -5.178 2.321 12.227 1.00 51.03 H new ATOM 0 HD2 PHE A1179 -3.966 3.158 8.229 1.00 1.32 H new ATOM 0 HE1 PHE A1179 -7.532 2.537 11.561 1.00 13.33 H new ATOM 0 HE2 PHE A1179 -6.320 3.364 7.558 1.00 71.30 H new ATOM 0 HZ PHE A1179 -8.108 3.057 9.224 1.00 40.42 H new ATOM 498 N GLY A1180 -0.270 4.287 12.431 1.00 52.42 N ATOM 499 CA GLY A1180 0.921 4.021 13.222 1.00 4.40 C ATOM 500 C GLY A1180 2.060 3.387 12.437 1.00 41.34 C ATOM 501 O GLY A1180 3.141 3.178 12.991 1.00 12.42 O ATOM 0 H GLY A1180 -0.267 5.184 11.945 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.271 4.957 13.658 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.655 3.364 14.050 1.00 4.40 H new ATOM 505 N GLY A1181 1.833 3.070 11.158 1.00 31.22 N ATOM 506 CA GLY A1181 2.870 2.456 10.354 1.00 64.50 C ATOM 507 C GLY A1181 3.983 3.413 9.977 1.00 12.03 C ATOM 508 O GLY A1181 3.929 4.605 10.289 1.00 23.53 O ATOM 0 H GLY A1181 0.951 3.229 10.672 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.294 1.614 10.902 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.424 2.052 9.445 1.00 64.50 H new ATOM 512 N ARG A1182 4.994 2.878 9.302 1.00 74.12 N ATOM 513 CA ARG A1182 6.146 3.670 8.866 1.00 3.32 C ATOM 514 C ARG A1182 6.081 3.995 7.368 1.00 71.10 C ATOM 515 O ARG A1182 6.898 4.770 6.869 1.00 62.21 O ATOM 516 CB ARG A1182 7.469 2.948 9.183 1.00 0.14 C ATOM 517 CG ARG A1182 7.357 1.850 10.237 1.00 43.10 C ATOM 518 CD ARG A1182 7.584 0.465 9.640 1.00 64.42 C ATOM 519 NE ARG A1182 6.663 0.173 8.538 1.00 41.53 N ATOM 520 CZ ARG A1182 6.295 -1.058 8.173 1.00 41.12 C ATOM 521 NH1 ARG A1182 6.765 -2.126 8.813 1.00 53.13 N ATOM 522 NH2 ARG A1182 5.454 -1.222 7.158 1.00 71.21 N ATOM 0 H ARG A1182 5.042 1.893 9.042 1.00 74.12 H new ATOM 0 HA ARG A1182 6.111 4.607 9.421 1.00 3.32 H new ATOM 0 HB2 ARG A1182 7.859 2.512 8.263 1.00 0.14 H new ATOM 0 HB3 ARG A1182 8.198 3.685 9.521 1.00 0.14 H new ATOM 0 HG2 ARG A1182 8.086 2.029 11.027 1.00 43.10 H new ATOM 0 HG3 ARG A1182 6.371 1.889 10.699 1.00 43.10 H new ATOM 0 HD2 ARG A1182 8.611 0.391 9.281 1.00 64.42 H new ATOM 0 HD3 ARG A1182 7.464 -0.288 10.419 1.00 64.42 H new ATOM 0 HE ARG A1182 6.278 0.960 8.016 1.00 41.53 H new ATOM 0 HH11 ARG A1182 7.414 -2.010 9.592 1.00 53.13 H new ATOM 0 HH12 ARG A1182 6.477 -3.061 8.525 1.00 53.13 H new ATOM 0 HH21 ARG A1182 5.091 -0.409 6.660 1.00 71.21 H new ATOM 0 HH22 ARG A1182 5.171 -2.161 6.877 1.00 71.21 H new ATOM 536 N ASN A1183 5.117 3.397 6.653 1.00 41.43 N ATOM 537 CA ASN A1183 4.961 3.625 5.216 1.00 51.41 C ATOM 538 C ASN A1183 6.065 2.917 4.429 1.00 55.15 C ATOM 539 O ASN A1183 6.779 3.530 3.631 1.00 54.11 O ATOM 540 CB ASN A1183 4.943 5.127 4.894 1.00 4.35 C ATOM 541 CG ASN A1183 4.065 5.452 3.696 1.00 5.11 C ATOM 542 OD1 ASN A1183 2.926 5.891 3.850 1.00 72.14 O ATOM 543 ND2 ASN A1183 4.590 5.234 2.495 1.00 30.02 N ATOM 0 H ASN A1183 4.435 2.752 7.051 1.00 41.43 H new ATOM 0 HA ASN A1183 4.002 3.204 4.913 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.585 5.678 5.764 1.00 4.35 H new ATOM 0 HB3 ASN A1183 5.960 5.466 4.698 1.00 4.35 H new ATOM 0 HD21 ASN A1183 4.044 5.432 1.656 1.00 30.02 H new ATOM 0 HD22 ASN A1183 5.539 4.869 2.412 1.00 30.02 H new ATOM 550 N ILE A1184 6.184 1.609 4.664 1.00 40.13 N ATOM 551 CA ILE A1184 7.179 0.779 3.992 1.00 12.01 C ATOM 552 C ILE A1184 6.550 0.009 2.829 1.00 42.13 C ATOM 553 O ILE A1184 7.196 -0.221 1.806 1.00 61.31 O ATOM 554 CB ILE A1184 7.837 -0.212 4.977 1.00 12.40 C ATOM 555 CG1 ILE A1184 8.658 0.564 6.023 1.00 34.52 C ATOM 556 CG2 ILE A1184 8.699 -1.223 4.228 1.00 50.22 C ATOM 557 CD1 ILE A1184 10.065 0.045 6.232 1.00 24.03 C ATOM 0 H ILE A1184 5.595 1.099 5.323 1.00 40.13 H new ATOM 0 HA ILE A1184 7.949 1.444 3.602 1.00 12.01 H new ATOM 0 HB ILE A1184 7.059 -0.771 5.497 1.00 12.40 H new ATOM 0 HG12 ILE A1184 8.712 1.610 5.720 1.00 34.52 H new ATOM 0 HG13 ILE A1184 8.129 0.535 6.975 1.00 34.52 H new ATOM 0 HG21 ILE A1184 9.153 -1.912 4.940 1.00 50.22 H new ATOM 0 HG22 ILE A1184 8.078 -1.782 3.528 1.00 50.22 H new ATOM 0 HG23 ILE A1184 9.482 -0.699 3.680 1.00 50.22 H new ATOM 0 HD11 ILE A1184 10.568 0.651 6.985 1.00 24.03 H new ATOM 0 HD12 ILE A1184 10.024 -0.991 6.568 1.00 24.03 H new ATOM 0 HD13 ILE A1184 10.617 0.101 5.293 1.00 24.03 H new ATOM 569 N LYS A1185 5.278 -0.371 2.990 1.00 22.13 N ATOM 570 CA LYS A1185 4.554 -1.097 1.952 1.00 41.34 C ATOM 571 C LYS A1185 4.027 -0.119 0.907 1.00 65.14 C ATOM 572 O LYS A1185 4.039 -0.404 -0.291 1.00 73.52 O ATOM 573 CB LYS A1185 3.405 -1.914 2.558 1.00 2.33 C ATOM 574 CG LYS A1185 3.847 -2.855 3.672 1.00 2.30 C ATOM 575 CD LYS A1185 2.697 -3.719 4.171 1.00 72.33 C ATOM 576 CE LYS A1185 3.043 -4.407 5.486 1.00 71.00 C ATOM 577 NZ LYS A1185 2.713 -3.556 6.665 1.00 23.33 N ATOM 0 H LYS A1185 4.732 -0.186 3.831 1.00 22.13 H new ATOM 0 HA LYS A1185 5.240 -1.793 1.469 1.00 41.34 H new ATOM 0 HB2 LYS A1185 2.651 -1.231 2.949 1.00 2.33 H new ATOM 0 HB3 LYS A1185 2.929 -2.497 1.769 1.00 2.33 H new ATOM 0 HG2 LYS A1185 4.652 -3.495 3.310 1.00 2.30 H new ATOM 0 HG3 LYS A1185 4.251 -2.273 4.501 1.00 2.30 H new ATOM 0 HD2 LYS A1185 1.809 -3.102 4.305 1.00 72.33 H new ATOM 0 HD3 LYS A1185 2.453 -4.470 3.420 1.00 72.33 H new ATOM 0 HE2 LYS A1185 2.500 -5.350 5.556 1.00 71.00 H new ATOM 0 HE3 LYS A1185 4.106 -4.649 5.500 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 2.687 -4.145 7.522 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 3.438 -2.818 6.774 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 1.784 -3.111 6.523 1.00 23.33 H new ATOM 591 N LYS A1186 3.598 1.057 1.381 1.00 53.34 N ATOM 592 CA LYS A1186 3.096 2.129 0.524 1.00 34.15 C ATOM 593 C LYS A1186 2.071 1.617 -0.494 1.00 12.40 C ATOM 594 O LYS A1186 2.224 1.808 -1.697 1.00 50.03 O ATOM 595 CB LYS A1186 4.266 2.837 -0.187 1.00 44.31 C ATOM 596 CG LYS A1186 5.643 2.300 0.190 1.00 44.13 C ATOM 597 CD LYS A1186 6.726 3.359 0.059 1.00 34.02 C ATOM 598 CE LYS A1186 7.956 2.812 -0.650 1.00 63.44 C ATOM 599 NZ LYS A1186 9.081 3.788 -0.646 1.00 13.23 N ATOM 0 H LYS A1186 3.591 1.289 2.374 1.00 53.34 H new ATOM 0 HA LYS A1186 2.583 2.849 1.162 1.00 34.15 H new ATOM 0 HB2 LYS A1186 4.133 2.741 -1.265 1.00 44.31 H new ATOM 0 HB3 LYS A1186 4.227 3.901 0.045 1.00 44.31 H new ATOM 0 HG2 LYS A1186 5.619 1.931 1.215 1.00 44.13 H new ATOM 0 HG3 LYS A1186 5.888 1.451 -0.448 1.00 44.13 H new ATOM 0 HD2 LYS A1186 6.336 4.214 -0.494 1.00 34.02 H new ATOM 0 HD3 LYS A1186 7.005 3.720 1.049 1.00 34.02 H new ATOM 0 HE2 LYS A1186 8.274 1.890 -0.164 1.00 63.44 H new ATOM 0 HE3 LYS A1186 7.699 2.559 -1.679 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 9.899 3.377 -1.139 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 8.787 4.659 -1.132 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 9.344 4.011 0.335 1.00 13.23 H new ATOM 613 N GLN A1187 1.021 0.971 0.000 1.00 50.40 N ATOM 614 CA GLN A1187 -0.024 0.437 -0.872 1.00 53.33 C ATOM 615 C GLN A1187 -1.414 0.763 -0.336 1.00 74.03 C ATOM 616 O GLN A1187 -1.566 1.229 0.796 1.00 12.15 O ATOM 617 CB GLN A1187 0.135 -1.081 -1.046 1.00 3.24 C ATOM 618 CG GLN A1187 0.626 -1.807 0.201 1.00 52.22 C ATOM 619 CD GLN A1187 1.298 -3.129 -0.121 1.00 55.31 C ATOM 620 OE1 GLN A1187 2.531 -3.067 -0.616 1.00 35.23 O flip ATOM 621 NE2 GLN A1187 0.716 -4.197 0.073 1.00 25.41 N flip ATOM 0 H GLN A1187 0.869 0.804 0.995 1.00 50.40 H new ATOM 0 HA GLN A1187 0.085 0.914 -1.846 1.00 53.33 H new ATOM 0 HB2 GLN A1187 -0.825 -1.503 -1.344 1.00 3.24 H new ATOM 0 HB3 GLN A1187 0.833 -1.270 -1.861 1.00 3.24 H new ATOM 0 HG2 GLN A1187 1.328 -1.168 0.737 1.00 52.22 H new ATOM 0 HG3 GLN A1187 -0.217 -1.985 0.869 1.00 52.22 H new ATOM 0 HE21 GLN A1187 -0.230 -4.200 0.454 1.00 25.41 H new ATOM 0 HE22 GLN A1187 1.180 -5.078 -0.148 1.00 25.41 H new ATOM 630 N CYS A1188 -2.425 0.528 -1.173 1.00 24.13 N ATOM 631 CA CYS A1188 -3.815 0.805 -0.822 1.00 3.24 C ATOM 632 C CYS A1188 -4.383 -0.250 0.121 1.00 43.41 C ATOM 633 O CYS A1188 -3.963 -1.406 0.098 1.00 40.23 O ATOM 634 CB CYS A1188 -4.676 0.904 -2.084 1.00 43.51 C ATOM 635 SG CYS A1188 -6.221 1.817 -1.857 1.00 5.43 S ATOM 0 H CYS A1188 -2.303 0.142 -2.109 1.00 24.13 H new ATOM 0 HA CYS A1188 -3.835 1.761 -0.300 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -4.095 1.386 -2.870 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -4.909 -0.103 -2.431 1.00 43.51 H new ATOM 0 HG CYS A1188 -6.876 1.847 -2.979 1.00 5.43 H new ATOM 641 N CYS A1189 -5.363 0.162 0.924 1.00 75.03 N ATOM 642 CA CYS A1189 -6.031 -0.739 1.863 1.00 5.21 C ATOM 643 C CYS A1189 -6.439 -2.045 1.170 1.00 3.23 C ATOM 644 O CYS A1189 -6.980 -2.030 0.064 1.00 42.41 O ATOM 645 CB CYS A1189 -7.258 -0.040 2.461 1.00 1.22 C ATOM 646 SG CYS A1189 -8.447 -1.140 3.261 1.00 22.22 S ATOM 0 H CYS A1189 -5.714 1.120 0.943 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.337 -0.990 2.665 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -6.919 0.696 3.190 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -7.768 0.508 1.668 1.00 1.22 H new ATOM 0 HG CYS A1189 -8.293 -1.081 4.551 1.00 22.22 H new ATOM 651 N LYS A1190 -6.172 -3.172 1.843 1.00 63.32 N ATOM 652 CA LYS A1190 -6.502 -4.510 1.330 1.00 34.02 C ATOM 653 C LYS A1190 -7.987 -4.633 0.966 1.00 55.43 C ATOM 654 O LYS A1190 -8.344 -5.325 0.011 1.00 3.24 O ATOM 655 CB LYS A1190 -6.159 -5.567 2.383 1.00 42.40 C ATOM 656 CG LYS A1190 -4.740 -5.462 2.910 1.00 41.11 C ATOM 657 CD LYS A1190 -4.007 -6.785 2.827 1.00 65.13 C ATOM 658 CE LYS A1190 -4.828 -7.933 3.398 1.00 71.24 C ATOM 659 NZ LYS A1190 -3.973 -9.091 3.783 1.00 34.12 N ATOM 0 H LYS A1190 -5.721 -3.183 2.758 1.00 63.32 H new ATOM 0 HA LYS A1190 -5.914 -4.668 0.426 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -6.855 -5.476 3.217 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -6.305 -6.558 1.952 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -4.196 -4.709 2.340 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -4.762 -5.123 3.946 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -3.762 -6.998 1.787 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -3.064 -6.711 3.368 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -5.381 -7.585 4.270 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -5.564 -8.254 2.661 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -4.570 -9.851 4.167 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -3.464 -9.440 2.946 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -3.287 -8.791 4.505 1.00 34.12 H new ATOM 673 N MET A1191 -8.840 -3.941 1.724 1.00 51.35 N ATOM 674 CA MET A1191 -10.285 -3.945 1.486 1.00 43.31 C ATOM 675 C MET A1191 -10.683 -2.938 0.401 1.00 42.42 C ATOM 676 O MET A1191 -11.810 -2.976 -0.098 1.00 52.24 O ATOM 677 CB MET A1191 -11.037 -3.633 2.784 1.00 14.25 C ATOM 678 CG MET A1191 -11.261 -4.850 3.667 1.00 23.42 C ATOM 679 SD MET A1191 -12.366 -6.063 2.917 1.00 75.10 S ATOM 680 CE MET A1191 -13.873 -5.104 2.766 1.00 20.12 C ATOM 0 H MET A1191 -8.551 -3.366 2.515 1.00 51.35 H new ATOM 0 HA MET A1191 -10.558 -4.941 1.138 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.479 -2.885 3.346 1.00 14.25 H new ATOM 0 HB3 MET A1191 -12.002 -3.191 2.537 1.00 14.25 H new ATOM 0 HG2 MET A1191 -10.301 -5.321 3.879 1.00 23.42 H new ATOM 0 HG3 MET A1191 -11.676 -4.529 4.622 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.718 -5.696 3.117 1.00 20.12 H new ATOM 0 HE2 MET A1191 -13.790 -4.199 3.367 1.00 20.12 H new ATOM 0 HE3 MET A1191 -14.029 -4.833 1.722 1.00 20.12 H new ATOM 690 N ARG A1192 -9.771 -2.025 0.055 1.00 70.22 N ATOM 691 CA ARG A1192 -10.054 -1.002 -0.948 1.00 25.23 C ATOM 692 C ARG A1192 -9.333 -1.250 -2.278 1.00 34.10 C ATOM 693 O ARG A1192 -9.556 -0.513 -3.242 1.00 21.31 O ATOM 694 CB ARG A1192 -9.671 0.379 -0.410 1.00 33.42 C ATOM 695 CG ARG A1192 -10.535 0.846 0.752 1.00 44.45 C ATOM 696 CD ARG A1192 -10.396 2.343 0.993 1.00 14.13 C ATOM 697 NE ARG A1192 -9.024 2.724 1.339 1.00 74.11 N ATOM 698 CZ ARG A1192 -8.702 3.788 2.080 1.00 43.31 C ATOM 699 NH1 ARG A1192 -9.647 4.603 2.545 1.00 72.34 N ATOM 700 NH2 ARG A1192 -7.426 4.040 2.354 1.00 41.14 N ATOM 0 H ARG A1192 -8.834 -1.976 0.455 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.124 -1.049 -1.148 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -8.629 0.358 -0.091 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -9.742 1.106 -1.219 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -11.579 0.606 0.549 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -10.253 0.305 1.655 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -10.707 2.883 0.099 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -11.068 2.644 1.797 1.00 14.13 H new ATOM 0 HE ARG A1192 -8.265 2.138 0.991 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -10.628 4.418 2.336 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -9.390 5.412 3.110 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -6.696 3.422 1.999 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -7.176 4.851 2.919 1.00 41.14 H new ATOM 714 N LYS A1193 -8.481 -2.283 -2.346 1.00 12.22 N ATOM 715 CA LYS A1193 -7.759 -2.597 -3.581 1.00 53.34 C ATOM 716 C LYS A1193 -8.728 -3.007 -4.686 1.00 23.33 C ATOM 717 O LYS A1193 -9.489 -3.966 -4.542 1.00 10.03 O ATOM 718 CB LYS A1193 -6.737 -3.713 -3.336 1.00 52.02 C ATOM 719 CG LYS A1193 -5.493 -3.601 -4.207 1.00 53.24 C ATOM 720 CD LYS A1193 -4.607 -2.441 -3.774 1.00 44.42 C ATOM 721 CE LYS A1193 -4.025 -1.704 -4.971 1.00 34.02 C ATOM 722 NZ LYS A1193 -4.977 -0.701 -5.527 1.00 62.42 N ATOM 0 H LYS A1193 -8.278 -2.909 -1.566 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.230 -1.699 -3.901 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -6.439 -3.698 -2.288 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -7.213 -4.677 -3.518 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -4.927 -4.531 -4.155 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -5.788 -3.465 -5.248 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -5.187 -1.747 -3.165 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -3.797 -2.815 -3.147 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -3.103 -1.203 -4.675 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -3.762 -2.423 -5.747 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -4.541 -0.222 -6.341 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -5.847 -1.181 -5.834 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -5.208 0.001 -4.795 1.00 62.42 H new ATOM 736 N CYS A1194 -8.684 -2.262 -5.789 1.00 72.22 N ATOM 737 CA CYS A1194 -9.545 -2.522 -6.937 1.00 10.42 C ATOM 738 C CYS A1194 -9.296 -3.920 -7.511 1.00 55.20 C ATOM 739 O CYS A1194 -8.164 -4.273 -7.848 1.00 0.11 O ATOM 740 CB CYS A1194 -9.305 -1.461 -8.014 1.00 74.32 C ATOM 741 SG CYS A1194 -10.335 -1.642 -9.485 1.00 0.41 S ATOM 0 H CYS A1194 -8.055 -1.468 -5.910 1.00 72.22 H new ATOM 0 HA CYS A1194 -10.582 -2.475 -6.605 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -9.481 -0.476 -7.582 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.257 -1.495 -8.313 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.372 -2.373 -9.201 1.00 0.41 H new ATOM 746 N GLN A1195 -10.371 -4.702 -7.623 1.00 50.31 N ATOM 747 CA GLN A1195 -10.295 -6.065 -8.160 1.00 20.22 C ATOM 748 C GLN A1195 -10.544 -6.100 -9.677 1.00 15.11 C ATOM 749 O GLN A1195 -10.536 -7.171 -10.287 1.00 43.24 O ATOM 750 CB GLN A1195 -11.293 -6.978 -7.445 1.00 45.21 C ATOM 751 CG GLN A1195 -12.728 -6.524 -7.593 1.00 43.13 C ATOM 752 CD GLN A1195 -13.629 -7.595 -8.177 1.00 50.42 C ATOM 753 OE1 GLN A1195 -13.722 -7.747 -9.395 1.00 71.33 O ATOM 754 NE2 GLN A1195 -14.302 -8.346 -7.311 1.00 42.22 N ATOM 0 H GLN A1195 -11.310 -4.414 -7.348 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.283 -6.427 -7.981 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -11.196 -7.990 -7.839 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -11.040 -7.023 -6.386 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -13.112 -6.226 -6.617 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -12.760 -5.641 -8.232 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -14.197 -8.188 -6.309 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -14.924 -9.081 -7.649 1.00 42.22 H new ATOM 763 N ASN A1196 -10.756 -4.926 -10.278 1.00 31.31 N ATOM 764 CA ASN A1196 -10.998 -4.816 -11.715 1.00 53.34 C ATOM 765 C ASN A1196 -10.401 -3.507 -12.226 1.00 64.12 C ATOM 766 O ASN A1196 -11.086 -2.671 -12.819 1.00 45.42 O ATOM 767 CB ASN A1196 -12.501 -4.885 -12.012 1.00 22.42 C ATOM 768 CG ASN A1196 -12.853 -6.020 -12.954 1.00 75.25 C ATOM 769 OD1 ASN A1196 -12.971 -5.823 -14.163 1.00 22.25 O ATOM 770 ND2 ASN A1196 -13.022 -7.219 -12.405 1.00 70.22 N ATOM 0 H ASN A1196 -10.764 -4.033 -9.785 1.00 31.31 H new ATOM 0 HA ASN A1196 -10.519 -5.649 -12.229 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -13.048 -5.009 -11.077 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -12.826 -3.940 -12.448 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -13.259 -8.019 -12.991 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -12.915 -7.338 -11.398 1.00 70.22 H new ATOM 777 N LEU A1197 -9.109 -3.339 -11.959 1.00 41.12 N ATOM 778 CA LEU A1197 -8.369 -2.142 -12.342 1.00 72.14 C ATOM 779 C LEU A1197 -8.351 -1.906 -13.845 1.00 40.01 C ATOM 780 O LEU A1197 -8.167 -2.835 -14.635 1.00 52.43 O ATOM 781 CB LEU A1197 -6.925 -2.247 -11.844 1.00 60.33 C ATOM 782 CG LEU A1197 -6.547 -1.306 -10.702 1.00 11.12 C ATOM 783 CD1 LEU A1197 -5.042 -1.101 -10.672 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.253 0.033 -10.841 1.00 53.11 C ATOM 0 H LEU A1197 -8.544 -4.033 -11.469 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.883 -1.298 -11.882 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.746 -3.272 -11.520 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -6.256 -2.057 -12.683 1.00 60.33 H new ATOM 0 HG LEU A1197 -6.866 -1.763 -9.765 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -4.783 -0.429 -9.854 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -4.547 -2.061 -10.524 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.715 -0.666 -11.617 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -6.966 0.683 -10.015 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.968 0.498 -11.785 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.332 -0.121 -10.823 1.00 53.11 H new