USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=12 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: A1167 CYS SG : rot -72:sc= 0.159 USER MOD Set 1.2: A1170 CYS SG : rot -68:sc= 1.97 USER MOD Set 1.3: A1173 CYS SG : rot -31:sc= -2.83! USER MOD Set 1.4: A1189 CYS SG : rot -150:sc= 0.425 USER MOD Set 2.1: A1176 LYS NZ :NH3+ 146:sc= -0.546 (180deg=-2.18!) USER MOD Set 2.2: A1183 ASN : amide:sc= -0.571 K(o=-1.1,f=-4.1!) USER MOD Set 3.1: A1171 THR OG1 : rot -100:sc= -3.06! USER MOD Set 3.2: A1185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A1155 CYS SG : rot 138:sc= -2.15 USER MOD Set 4.2: A1157 GLN : amide:sc= 0.66 K(o=-4.6,f=-11!) USER MOD Set 4.3: A1158 CYS SG : rot -65:sc= 1.09 USER MOD Set 4.4: A1161 CYS SG : rot 60:sc= -2.5! USER MOD Set 4.5: A1194 CYS SG : rot 37:sc= -1.74 USER MOD Single : A1162 GLN : amide:sc= 0.693 K(o=0.69,f=-0.085) USER MOD Single : A1172 ASN : amide:sc= -0.572 K(o=-0.57,f=-5.7!) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1187 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A1188 CYS SG : rot 25:sc= -3.65! USER MOD Single : A1190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1191 MET CE :methyl -145:sc= -0.0745 (180deg=-2.04!) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1196 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -6.094 2.639 -13.083 1.00 33.42 N ATOM 112 CA ARG A1153 -7.136 3.452 -12.462 1.00 41.43 C ATOM 113 C ARG A1153 -8.247 2.588 -11.881 1.00 11.15 C ATOM 114 O ARG A1153 -8.647 1.594 -12.487 1.00 31.14 O ATOM 115 CB ARG A1153 -7.739 4.397 -13.505 1.00 14.30 C ATOM 116 CG ARG A1153 -8.423 5.616 -12.903 1.00 73.14 C ATOM 117 CD ARG A1153 -7.444 6.761 -12.698 1.00 1.24 C ATOM 118 NE ARG A1153 -6.890 6.773 -11.341 1.00 23.40 N ATOM 119 CZ ARG A1153 -5.597 6.590 -11.048 1.00 2.31 C ATOM 120 NH1 ARG A1153 -4.701 6.369 -12.008 1.00 44.11 N ATOM 121 NH2 ARG A1153 -5.199 6.628 -9.780 1.00 74.32 N ATOM 0 HA ARG A1153 -6.678 4.019 -11.652 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -6.950 4.730 -14.180 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -8.462 3.846 -14.107 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -9.232 5.941 -13.557 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -8.874 5.347 -11.948 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -6.632 6.678 -13.420 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -7.948 7.708 -12.892 1.00 1.24 H new ATOM 0 HE ARG A1153 -7.534 6.932 -10.566 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -4.996 6.337 -12.984 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -3.719 6.232 -11.768 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -5.878 6.796 -9.037 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -4.215 6.489 -9.550 1.00 74.32 H new ATOM 135 N ARG A1154 -8.760 2.980 -10.720 1.00 52.40 N ATOM 136 CA ARG A1154 -9.844 2.237 -10.083 1.00 62.14 C ATOM 137 C ARG A1154 -11.078 2.247 -10.993 1.00 30.30 C ATOM 138 O ARG A1154 -11.474 3.301 -11.496 1.00 74.42 O ATOM 139 CB ARG A1154 -10.185 2.844 -8.717 1.00 45.41 C ATOM 140 CG ARG A1154 -10.422 4.349 -8.747 1.00 23.13 C ATOM 141 CD ARG A1154 -9.724 5.050 -7.591 1.00 3.20 C ATOM 142 NE ARG A1154 -8.265 5.040 -7.736 1.00 15.22 N ATOM 143 CZ ARG A1154 -7.437 4.283 -7.005 1.00 23.13 C ATOM 144 NH1 ARG A1154 -7.909 3.443 -6.085 1.00 2.55 N ATOM 145 NH2 ARG A1154 -6.124 4.362 -7.202 1.00 40.44 N ATOM 0 H ARG A1154 -8.447 3.801 -10.203 1.00 52.40 H new ATOM 0 HA ARG A1154 -9.522 1.208 -9.926 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -11.077 2.354 -8.326 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -9.373 2.629 -8.023 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -10.061 4.756 -9.691 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -11.492 4.550 -8.702 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -10.074 6.080 -7.529 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -9.998 4.563 -6.655 1.00 3.20 H new ATOM 0 HE ARG A1154 -7.853 5.651 -8.441 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -8.914 3.370 -5.929 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -7.265 2.873 -5.536 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -5.751 4.997 -7.908 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -5.490 3.787 -6.647 1.00 40.44 H new ATOM 159 N CYS A1155 -11.669 1.072 -11.213 1.00 23.05 N ATOM 160 CA CYS A1155 -12.845 0.940 -12.076 1.00 1.11 C ATOM 161 C CYS A1155 -14.037 1.746 -11.563 1.00 10.20 C ATOM 162 O CYS A1155 -14.707 2.426 -12.343 1.00 75.34 O ATOM 163 CB CYS A1155 -13.240 -0.531 -12.219 1.00 33.23 C ATOM 164 SG CYS A1155 -13.458 -1.399 -10.654 1.00 53.42 S ATOM 0 H CYS A1155 -11.351 0.194 -10.803 1.00 23.05 H new ATOM 0 HA CYS A1155 -12.569 1.343 -13.050 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.169 -0.592 -12.787 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.476 -1.045 -12.802 1.00 33.23 H new ATOM 0 HG CYS A1155 -14.512 -2.157 -10.721 1.00 53.42 H new ATOM 169 N GLY A1156 -14.305 1.664 -10.259 1.00 23.42 N ATOM 170 CA GLY A1156 -15.425 2.389 -9.681 1.00 72.43 C ATOM 171 C GLY A1156 -16.668 1.528 -9.495 1.00 43.32 C ATOM 172 O GLY A1156 -17.656 1.987 -8.920 1.00 3.12 O ATOM 0 H GLY A1156 -13.766 1.109 -9.594 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.126 2.796 -8.715 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -15.670 3.236 -10.322 1.00 72.43 H new ATOM 176 N GLN A1157 -16.631 0.283 -9.990 1.00 34.13 N ATOM 177 CA GLN A1157 -17.783 -0.623 -9.878 1.00 5.23 C ATOM 178 C GLN A1157 -17.461 -1.903 -9.092 1.00 54.32 C ATOM 179 O GLN A1157 -18.376 -2.631 -8.702 1.00 24.22 O ATOM 180 CB GLN A1157 -18.337 -0.987 -11.264 1.00 1.14 C ATOM 181 CG GLN A1157 -17.330 -0.868 -12.400 1.00 4.15 C ATOM 182 CD GLN A1157 -16.572 -2.160 -12.655 1.00 45.04 C ATOM 183 OE1 GLN A1157 -16.031 -2.770 -11.733 1.00 51.54 O ATOM 184 NE2 GLN A1157 -16.525 -2.585 -13.914 1.00 12.22 N ATOM 0 H GLN A1157 -15.824 -0.117 -10.468 1.00 34.13 H new ATOM 0 HA GLN A1157 -18.543 -0.078 -9.318 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -18.712 -2.010 -11.234 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -19.188 -0.342 -11.481 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -17.850 -0.572 -13.311 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -16.619 -0.075 -12.167 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -16.986 -2.051 -14.650 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -16.027 -3.445 -14.144 1.00 12.22 H new ATOM 193 N CYS A1158 -16.175 -2.183 -8.863 1.00 21.34 N ATOM 194 CA CYS A1158 -15.780 -3.385 -8.125 1.00 11.34 C ATOM 195 C CYS A1158 -16.065 -3.231 -6.629 1.00 1.24 C ATOM 196 O CYS A1158 -16.102 -2.115 -6.110 1.00 10.22 O ATOM 197 CB CYS A1158 -14.297 -3.697 -8.353 1.00 53.42 C ATOM 198 SG CYS A1158 -13.160 -2.628 -7.442 1.00 41.45 S ATOM 0 H CYS A1158 -15.398 -1.601 -9.174 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.374 -4.218 -8.502 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -14.108 -4.732 -8.070 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -14.080 -3.613 -9.418 1.00 53.42 H new ATOM 0 HG CYS A1158 -13.270 -1.408 -7.876 1.00 41.45 H new ATOM 203 N PRO A1159 -16.276 -4.358 -5.917 1.00 13.34 N ATOM 204 CA PRO A1159 -16.569 -4.350 -4.474 1.00 52.32 C ATOM 205 C PRO A1159 -15.492 -3.642 -3.648 1.00 10.44 C ATOM 206 O PRO A1159 -15.791 -3.059 -2.603 1.00 34.34 O ATOM 207 CB PRO A1159 -16.637 -5.836 -4.107 1.00 33.14 C ATOM 208 CG PRO A1159 -16.928 -6.535 -5.389 1.00 53.42 C ATOM 209 CD PRO A1159 -16.256 -5.728 -6.463 1.00 42.13 C ATOM 0 HA PRO A1159 -17.486 -3.802 -4.259 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.697 -6.179 -3.674 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -17.416 -6.025 -3.368 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -16.547 -7.556 -5.372 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -18.002 -6.599 -5.563 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -15.239 -6.073 -6.649 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.792 -5.792 -7.410 1.00 42.13 H new ATOM 217 N GLY A1160 -14.248 -3.670 -4.133 1.00 75.21 N ATOM 218 CA GLY A1160 -13.161 -3.000 -3.438 1.00 43.32 C ATOM 219 C GLY A1160 -13.269 -1.488 -3.553 1.00 4.10 C ATOM 220 O GLY A1160 -12.948 -0.761 -2.611 1.00 54.55 O ATOM 0 H GLY A1160 -13.977 -4.145 -4.994 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -13.170 -3.287 -2.386 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -12.207 -3.329 -3.850 1.00 43.32 H new ATOM 224 N CYS A1161 -13.749 -1.021 -4.709 1.00 41.14 N ATOM 225 CA CYS A1161 -13.937 0.406 -4.968 1.00 54.42 C ATOM 226 C CYS A1161 -15.107 0.968 -4.158 1.00 32.30 C ATOM 227 O CYS A1161 -15.190 2.177 -3.936 1.00 53.41 O ATOM 228 CB CYS A1161 -14.163 0.652 -6.462 1.00 63.34 C ATOM 229 SG CYS A1161 -12.639 0.865 -7.409 1.00 42.02 S ATOM 0 H CYS A1161 -14.017 -1.621 -5.489 1.00 41.14 H new ATOM 0 HA CYS A1161 -13.030 0.924 -4.656 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -14.723 -0.186 -6.877 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -14.782 1.541 -6.584 1.00 63.34 H new ATOM 0 HG CYS A1161 -11.908 -0.204 -7.301 1.00 42.02 H new ATOM 234 N GLN A1162 -16.013 0.085 -3.723 1.00 33.23 N ATOM 235 CA GLN A1162 -17.182 0.490 -2.943 1.00 41.33 C ATOM 236 C GLN A1162 -16.813 0.773 -1.486 1.00 43.34 C ATOM 237 O GLN A1162 -17.581 1.430 -0.785 1.00 22.15 O ATOM 238 CB GLN A1162 -18.270 -0.589 -3.003 1.00 63.42 C ATOM 239 CG GLN A1162 -18.627 -1.040 -4.414 1.00 70.05 C ATOM 240 CD GLN A1162 -18.785 0.118 -5.386 1.00 21.00 C ATOM 241 OE1 GLN A1162 -19.745 0.884 -5.303 1.00 64.12 O ATOM 242 NE2 GLN A1162 -17.842 0.251 -6.314 1.00 3.02 N ATOM 0 H GLN A1162 -15.956 -0.918 -3.900 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.565 1.411 -3.383 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -17.939 -1.455 -2.430 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -19.169 -0.210 -2.517 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -17.852 -1.712 -4.782 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -19.555 -1.610 -4.383 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -17.063 -0.406 -6.347 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -17.898 1.010 -6.993 1.00 3.02 H new ATOM 251 N VAL A1163 -15.631 0.331 -1.041 1.00 50.22 N ATOM 252 CA VAL A1163 -15.188 0.616 0.323 1.00 63.43 C ATOM 253 C VAL A1163 -14.702 2.071 0.367 1.00 1.44 C ATOM 254 O VAL A1163 -13.689 2.411 -0.248 1.00 23.11 O ATOM 255 CB VAL A1163 -14.085 -0.370 0.786 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.373 0.117 2.040 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.682 -1.747 1.019 1.00 45.33 C ATOM 0 H VAL A1163 -14.975 -0.217 -1.598 1.00 50.22 H new ATOM 0 HA VAL A1163 -16.018 0.482 1.016 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.340 -0.428 -0.008 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.609 -0.605 2.328 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -12.905 1.081 1.841 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -14.095 0.224 2.850 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -13.899 -2.433 1.344 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.452 -1.684 1.788 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -15.124 -2.114 0.092 1.00 45.33 H new ATOM 267 N PRO A1164 -15.459 2.964 1.045 1.00 71.44 N ATOM 268 CA PRO A1164 -15.139 4.399 1.104 1.00 13.33 C ATOM 269 C PRO A1164 -14.080 4.786 2.133 1.00 5.30 C ATOM 270 O PRO A1164 -13.599 5.922 2.120 1.00 5.32 O ATOM 271 CB PRO A1164 -16.482 5.021 1.479 1.00 15.33 C ATOM 272 CG PRO A1164 -17.151 3.987 2.315 1.00 1.11 C ATOM 273 CD PRO A1164 -16.716 2.655 1.762 1.00 3.53 C ATOM 0 HA PRO A1164 -14.707 4.736 0.162 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -16.348 5.952 2.030 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -17.071 5.257 0.593 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -16.864 4.087 3.362 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -18.235 4.092 2.271 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.555 1.926 2.556 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.466 2.236 1.092 1.00 3.53 H new ATOM 281 N GLU A1165 -13.724 3.870 3.032 1.00 65.22 N ATOM 282 CA GLU A1165 -12.735 4.183 4.056 1.00 11.42 C ATOM 283 C GLU A1165 -11.879 2.976 4.416 1.00 40.05 C ATOM 284 O GLU A1165 -12.343 1.834 4.402 1.00 72.02 O ATOM 285 CB GLU A1165 -13.430 4.735 5.302 1.00 54.32 C ATOM 286 CG GLU A1165 -14.028 3.660 6.185 1.00 74.44 C ATOM 287 CD GLU A1165 -15.363 3.154 5.669 1.00 4.32 C ATOM 288 OE1 GLU A1165 -16.395 3.793 5.964 1.00 4.11 O ATOM 289 OE2 GLU A1165 -15.375 2.119 4.969 1.00 55.43 O ATOM 0 H GLU A1165 -14.099 2.922 3.071 1.00 65.22 H new ATOM 0 HA GLU A1165 -12.066 4.941 3.648 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -12.712 5.314 5.883 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -14.218 5.422 4.995 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -13.331 2.825 6.257 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -14.158 4.054 7.193 1.00 74.44 H new ATOM 296 N ASP A1166 -10.623 3.257 4.759 1.00 52.42 N ATOM 297 CA ASP A1166 -9.672 2.230 5.157 1.00 54.32 C ATOM 298 C ASP A1166 -10.221 1.425 6.332 1.00 24.20 C ATOM 299 O ASP A1166 -10.661 1.994 7.333 1.00 4.45 O ATOM 300 CB ASP A1166 -8.338 2.881 5.544 1.00 42.32 C ATOM 301 CG ASP A1166 -7.530 3.331 4.338 1.00 32.30 C ATOM 302 OD1 ASP A1166 -8.021 4.196 3.582 1.00 1.41 O ATOM 303 OD2 ASP A1166 -6.406 2.823 4.152 1.00 11.20 O ATOM 0 H ASP A1166 -10.240 4.202 4.768 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.511 1.554 4.317 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -8.531 3.740 6.187 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.749 2.173 6.126 1.00 42.32 H new ATOM 308 N CYS A1167 -10.195 0.100 6.200 1.00 33.35 N ATOM 309 CA CYS A1167 -10.695 -0.789 7.252 1.00 12.51 C ATOM 310 C CYS A1167 -9.965 -0.553 8.576 1.00 3.00 C ATOM 311 O CYS A1167 -10.559 -0.656 9.651 1.00 75.13 O ATOM 312 CB CYS A1167 -10.570 -2.256 6.831 1.00 20.21 C ATOM 313 SG CYS A1167 -8.895 -2.765 6.388 1.00 63.11 S ATOM 0 H CYS A1167 -9.834 -0.383 5.377 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.750 -0.558 7.402 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -10.925 -2.887 7.646 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -11.228 -2.435 5.980 1.00 20.21 H new ATOM 0 HG CYS A1167 -8.565 -2.230 5.250 1.00 63.11 H new ATOM 318 N GLY A1168 -8.675 -0.219 8.480 1.00 61.35 N ATOM 319 CA GLY A1168 -7.872 0.049 9.660 1.00 61.11 C ATOM 320 C GLY A1168 -7.245 -1.190 10.283 1.00 41.43 C ATOM 321 O GLY A1168 -6.499 -1.073 11.256 1.00 11.55 O ATOM 0 H GLY A1168 -8.172 -0.130 7.597 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -7.080 0.749 9.395 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.496 0.541 10.406 1.00 61.11 H new ATOM 325 N VAL A1169 -7.553 -2.377 9.749 1.00 5.14 N ATOM 326 CA VAL A1169 -7.010 -3.619 10.303 1.00 10.32 C ATOM 327 C VAL A1169 -6.108 -4.380 9.321 1.00 1.33 C ATOM 328 O VAL A1169 -5.320 -5.232 9.739 1.00 0.21 O ATOM 329 CB VAL A1169 -8.131 -4.561 10.792 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.830 -3.975 12.010 1.00 64.11 C ATOM 331 CG2 VAL A1169 -9.132 -4.842 9.677 1.00 34.30 C ATOM 0 H VAL A1169 -8.167 -2.502 8.944 1.00 5.14 H new ATOM 0 HA VAL A1169 -6.396 -3.308 11.148 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.676 -5.508 11.081 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -9.617 -4.654 12.340 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -8.107 -3.840 12.814 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -9.268 -3.011 11.750 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.911 -5.508 10.047 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -9.581 -3.905 9.347 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -8.620 -5.314 8.839 1.00 34.30 H new ATOM 341 N CYS A1170 -6.219 -4.078 8.020 1.00 31.54 N ATOM 342 CA CYS A1170 -5.411 -4.740 7.001 1.00 20.33 C ATOM 343 C CYS A1170 -3.949 -4.304 7.090 1.00 31.20 C ATOM 344 O CYS A1170 -3.647 -3.180 7.491 1.00 41.54 O ATOM 345 CB CYS A1170 -5.963 -4.445 5.607 1.00 20.04 C ATOM 346 SG CYS A1170 -5.632 -2.782 4.996 1.00 33.30 S ATOM 0 H CYS A1170 -6.863 -3.377 7.654 1.00 31.54 H new ATOM 0 HA CYS A1170 -5.459 -5.814 7.180 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -5.541 -5.165 4.905 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -7.041 -4.604 5.618 1.00 20.04 H new ATOM 0 HG CYS A1170 -6.297 -1.919 5.705 1.00 33.30 H new ATOM 351 N THR A1171 -3.057 -5.210 6.704 1.00 13.53 N ATOM 352 CA THR A1171 -1.605 -4.950 6.723 1.00 51.14 C ATOM 353 C THR A1171 -1.238 -3.654 5.994 1.00 25.34 C ATOM 354 O THR A1171 -0.260 -2.998 6.357 1.00 45.43 O ATOM 355 CB THR A1171 -0.800 -6.113 6.094 1.00 43.21 C ATOM 356 OG1 THR A1171 0.150 -5.624 5.166 1.00 64.41 O ATOM 357 CG2 THR A1171 -1.639 -7.137 5.360 1.00 25.44 C ATOM 0 H THR A1171 -3.308 -6.141 6.370 1.00 13.53 H new ATOM 0 HA THR A1171 -1.341 -4.854 7.776 1.00 51.14 H new ATOM 0 HB THR A1171 -0.331 -6.602 6.948 1.00 43.21 H new ATOM 0 HG1 THR A1171 -0.198 -5.729 4.256 1.00 64.41 H new ATOM 0 HG21 THR A1171 -0.991 -7.914 4.953 1.00 25.44 H new ATOM 0 HG22 THR A1171 -2.353 -7.585 6.051 1.00 25.44 H new ATOM 0 HG23 THR A1171 -2.178 -6.651 4.547 1.00 25.44 H new ATOM 365 N ASN A1172 -2.008 -3.291 4.968 1.00 64.24 N ATOM 366 CA ASN A1172 -1.724 -2.077 4.210 1.00 51.03 C ATOM 367 C ASN A1172 -2.084 -0.844 5.030 1.00 13.52 C ATOM 368 O ASN A1172 -1.353 0.144 5.035 1.00 4.51 O ATOM 369 CB ASN A1172 -2.483 -2.075 2.881 1.00 22.23 C ATOM 370 CG ASN A1172 -1.548 -2.176 1.690 1.00 72.54 C ATOM 371 OD1 ASN A1172 -0.625 -1.374 1.545 1.00 70.45 O ATOM 372 ND2 ASN A1172 -1.779 -3.164 0.831 1.00 72.54 N ATOM 0 H ASN A1172 -2.823 -3.814 4.647 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.656 -2.052 3.992 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -3.184 -2.910 2.863 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -3.073 -1.162 2.802 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -1.180 -3.280 0.014 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -2.555 -3.806 0.989 1.00 72.54 H new ATOM 379 N CYS A1173 -3.199 -0.926 5.749 1.00 72.10 N ATOM 380 CA CYS A1173 -3.645 0.161 6.606 1.00 51.15 C ATOM 381 C CYS A1173 -2.673 0.333 7.761 1.00 32.02 C ATOM 382 O CYS A1173 -2.210 1.438 8.028 1.00 1.11 O ATOM 383 CB CYS A1173 -5.045 -0.129 7.153 1.00 10.14 C ATOM 384 SG CYS A1173 -6.386 0.405 6.069 1.00 43.23 S ATOM 0 H CYS A1173 -3.812 -1.741 5.753 1.00 72.10 H new ATOM 0 HA CYS A1173 -3.680 1.078 6.018 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -5.140 -1.200 7.329 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -5.155 0.364 8.119 1.00 10.14 H new ATOM 0 HG CYS A1173 -6.011 1.454 5.399 1.00 43.23 H new ATOM 389 N LEU A1174 -2.337 -0.777 8.423 1.00 55.10 N ATOM 390 CA LEU A1174 -1.389 -0.739 9.534 1.00 75.13 C ATOM 391 C LEU A1174 -0.038 -0.194 9.080 1.00 24.23 C ATOM 392 O LEU A1174 0.656 0.466 9.850 1.00 21.32 O ATOM 393 CB LEU A1174 -1.218 -2.128 10.158 1.00 12.24 C ATOM 394 CG LEU A1174 -2.522 -2.858 10.484 1.00 14.22 C ATOM 395 CD1 LEU A1174 -2.239 -4.151 11.234 1.00 44.35 C ATOM 396 CD2 LEU A1174 -3.452 -1.957 11.287 1.00 44.31 C ATOM 0 H LEU A1174 -2.705 -1.704 8.210 1.00 55.10 H new ATOM 0 HA LEU A1174 -1.794 -0.069 10.292 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.634 -2.746 9.476 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.637 -2.028 11.075 1.00 12.24 H new ATOM 0 HG LEU A1174 -3.019 -3.112 9.548 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -3.179 -4.656 11.457 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.616 -4.800 10.618 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.719 -3.925 12.165 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -4.375 -2.493 11.510 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -2.965 -1.670 12.219 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.683 -1.063 10.707 1.00 44.31 H new ATOM 408 N ASP A1175 0.325 -0.470 7.821 1.00 70.13 N ATOM 409 CA ASP A1175 1.589 0.005 7.268 1.00 70.13 C ATOM 410 C ASP A1175 1.570 1.527 7.087 1.00 61.50 C ATOM 411 O ASP A1175 2.613 2.177 7.167 1.00 5.34 O ATOM 412 CB ASP A1175 1.911 -0.721 5.945 1.00 65.04 C ATOM 413 CG ASP A1175 2.079 0.214 4.755 1.00 40.44 C ATOM 414 OD1 ASP A1175 3.154 0.835 4.633 1.00 32.31 O ATOM 415 OD2 ASP A1175 1.140 0.313 3.939 1.00 22.11 O ATOM 0 H ASP A1175 -0.240 -1.018 7.172 1.00 70.13 H new ATOM 0 HA ASP A1175 2.384 -0.229 7.976 1.00 70.13 H new ATOM 0 HB2 ASP A1175 2.826 -1.299 6.072 1.00 65.04 H new ATOM 0 HB3 ASP A1175 1.113 -1.431 5.727 1.00 65.04 H new ATOM 420 N LYS A1176 0.378 2.093 6.866 1.00 62.33 N ATOM 421 CA LYS A1176 0.230 3.539 6.701 1.00 41.01 C ATOM 422 C LYS A1176 0.502 4.256 8.023 1.00 53.14 C ATOM 423 O LYS A1176 0.225 3.718 9.096 1.00 31.05 O ATOM 424 CB LYS A1176 -1.180 3.887 6.211 1.00 50.13 C ATOM 425 CG LYS A1176 -1.533 3.277 4.866 1.00 60.51 C ATOM 426 CD LYS A1176 -1.088 4.163 3.715 1.00 3.32 C ATOM 427 CE LYS A1176 -0.391 3.353 2.633 1.00 44.32 C ATOM 428 NZ LYS A1176 1.062 3.180 2.912 1.00 42.40 N ATOM 0 H LYS A1176 -0.495 1.571 6.798 1.00 62.33 H new ATOM 0 HA LYS A1176 0.955 3.870 5.957 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -1.905 3.551 6.953 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -1.273 4.971 6.143 1.00 50.13 H new ATOM 0 HG2 LYS A1176 -1.062 2.298 4.775 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -2.610 3.119 4.809 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -1.953 4.673 3.290 1.00 3.32 H new ATOM 0 HD3 LYS A1176 -0.413 4.934 4.087 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -0.863 2.374 2.552 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -0.519 3.849 1.671 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 1.373 2.250 2.567 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 1.600 3.927 2.427 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 1.229 3.243 3.937 1.00 42.40 H new ATOM 442 N PRO A1177 1.046 5.486 7.962 1.00 43.21 N ATOM 443 CA PRO A1177 1.354 6.278 9.162 1.00 21.41 C ATOM 444 C PRO A1177 0.119 6.550 10.022 1.00 70.01 C ATOM 445 O PRO A1177 0.188 6.494 11.251 1.00 21.51 O ATOM 446 CB PRO A1177 1.921 7.589 8.603 1.00 41.24 C ATOM 447 CG PRO A1177 1.481 7.632 7.178 1.00 60.34 C ATOM 448 CD PRO A1177 1.402 6.204 6.727 1.00 32.13 C ATOM 0 HA PRO A1177 2.044 5.751 9.821 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.544 8.449 9.157 1.00 41.24 H new ATOM 0 HB3 PRO A1177 3.008 7.612 8.680 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.514 8.125 7.083 1.00 60.34 H new ATOM 0 HG3 PRO A1177 2.187 8.195 6.568 1.00 60.34 H new ATOM 0 HD2 PRO A1177 0.650 6.067 5.950 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.351 5.857 6.318 1.00 32.13 H new ATOM 456 N LYS A1178 -1.007 6.856 9.365 1.00 31.54 N ATOM 457 CA LYS A1178 -2.268 7.148 10.057 1.00 31.40 C ATOM 458 C LYS A1178 -2.709 6.010 10.988 1.00 61.44 C ATOM 459 O LYS A1178 -3.493 6.232 11.913 1.00 21.41 O ATOM 460 CB LYS A1178 -3.384 7.443 9.046 1.00 41.11 C ATOM 461 CG LYS A1178 -2.987 8.419 7.947 1.00 75.34 C ATOM 462 CD LYS A1178 -2.833 7.719 6.604 1.00 3.54 C ATOM 463 CE LYS A1178 -4.163 7.185 6.093 1.00 41.41 C ATOM 464 NZ LYS A1178 -3.996 5.929 5.309 1.00 34.11 N ATOM 0 H LYS A1178 -1.070 6.908 8.348 1.00 31.54 H new ATOM 0 HA LYS A1178 -2.085 8.028 10.673 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -3.701 6.506 8.588 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -4.246 7.844 9.579 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -3.741 9.202 7.865 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -2.049 8.906 8.214 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -2.416 8.415 5.876 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -2.124 6.897 6.701 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -4.828 7.000 6.937 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -4.642 7.940 5.470 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -4.926 5.599 4.980 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -3.383 6.111 4.489 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -3.563 5.199 5.910 1.00 34.11 H new ATOM 478 N PHE A1179 -2.209 4.796 10.740 1.00 11.35 N ATOM 479 CA PHE A1179 -2.556 3.630 11.554 1.00 74.35 C ATOM 480 C PHE A1179 -1.375 3.167 12.417 1.00 71.33 C ATOM 481 O PHE A1179 -1.405 2.071 12.980 1.00 74.31 O ATOM 482 CB PHE A1179 -3.035 2.499 10.649 1.00 0.15 C ATOM 483 CG PHE A1179 -4.267 2.863 9.868 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.520 2.745 10.439 1.00 51.03 C ATOM 485 CD2 PHE A1179 -4.168 3.338 8.569 1.00 1.32 C ATOM 486 CE1 PHE A1179 -6.653 3.092 9.732 1.00 13.33 C ATOM 487 CE2 PHE A1179 -5.296 3.683 7.854 1.00 71.30 C ATOM 488 CZ PHE A1179 -6.543 3.560 8.436 1.00 40.42 C ATOM 0 H PHE A1179 -1.560 4.596 9.979 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.359 3.916 12.234 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -2.237 2.230 9.957 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -3.241 1.617 11.255 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -5.613 2.377 11.450 1.00 51.03 H new ATOM 0 HD2 PHE A1179 -3.195 3.439 8.111 1.00 1.32 H new ATOM 0 HE1 PHE A1179 -7.626 2.998 10.191 1.00 13.33 H new ATOM 0 HE2 PHE A1179 -5.205 4.048 6.842 1.00 71.30 H new ATOM 0 HZ PHE A1179 -7.429 3.829 7.880 1.00 40.42 H new ATOM 498 N GLY A1180 -0.343 4.015 12.532 1.00 52.42 N ATOM 499 CA GLY A1180 0.817 3.682 13.345 1.00 4.40 C ATOM 500 C GLY A1180 1.965 3.057 12.564 1.00 41.34 C ATOM 501 O GLY A1180 3.026 2.801 13.136 1.00 12.42 O ATOM 0 H GLY A1180 -0.295 4.925 12.074 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.176 4.587 13.835 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.510 2.993 14.132 1.00 4.40 H new ATOM 505 N GLY A1181 1.765 2.798 11.270 1.00 31.22 N ATOM 506 CA GLY A1181 2.809 2.193 10.464 1.00 64.50 C ATOM 507 C GLY A1181 3.928 3.152 10.104 1.00 12.03 C ATOM 508 O GLY A1181 3.886 4.335 10.450 1.00 23.53 O ATOM 0 H GLY A1181 0.899 2.997 10.770 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.228 1.344 11.004 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.368 1.801 9.547 1.00 64.50 H new ATOM 512 N ARG A1182 4.928 2.626 9.406 1.00 74.12 N ATOM 513 CA ARG A1182 6.082 3.418 8.980 1.00 3.32 C ATOM 514 C ARG A1182 6.015 3.774 7.490 1.00 71.10 C ATOM 515 O ARG A1182 6.801 4.598 7.020 1.00 62.21 O ATOM 516 CB ARG A1182 7.397 2.679 9.278 1.00 0.14 C ATOM 517 CG ARG A1182 7.281 1.572 10.320 1.00 43.10 C ATOM 518 CD ARG A1182 7.329 0.191 9.678 1.00 64.42 C ATOM 519 NE ARG A1182 6.124 -0.594 9.960 1.00 41.53 N ATOM 520 CZ ARG A1182 5.158 -0.848 9.067 1.00 41.12 C ATOM 521 NH1 ARG A1182 5.226 -0.361 7.829 1.00 53.13 N ATOM 522 NH2 ARG A1182 4.112 -1.589 9.420 1.00 71.21 N ATOM 0 H ARG A1182 4.965 1.648 9.120 1.00 74.12 H new ATOM 0 HA ARG A1182 6.055 4.346 9.552 1.00 3.32 H new ATOM 0 HB2 ARG A1182 7.775 2.249 8.351 1.00 0.14 H new ATOM 0 HB3 ARG A1182 8.137 3.404 9.618 1.00 0.14 H new ATOM 0 HG2 ARG A1182 8.091 1.666 11.043 1.00 43.10 H new ATOM 0 HG3 ARG A1182 6.347 1.686 10.870 1.00 43.10 H new ATOM 0 HD2 ARG A1182 7.447 0.298 8.600 1.00 64.42 H new ATOM 0 HD3 ARG A1182 8.204 -0.347 10.043 1.00 64.42 H new ATOM 0 HE ARG A1182 6.013 -0.973 10.900 1.00 41.53 H new ATOM 0 HH11 ARG A1182 6.021 0.214 7.550 1.00 53.13 H new ATOM 0 HH12 ARG A1182 4.483 -0.563 7.160 1.00 53.13 H new ATOM 0 HH21 ARG A1182 4.047 -1.962 10.367 1.00 71.21 H new ATOM 0 HH22 ARG A1182 3.374 -1.785 8.743 1.00 71.21 H new ATOM 536 N ASN A1183 5.091 3.143 6.748 1.00 41.43 N ATOM 537 CA ASN A1183 4.940 3.388 5.312 1.00 51.41 C ATOM 538 C ASN A1183 6.005 2.626 4.521 1.00 55.15 C ATOM 539 O ASN A1183 6.803 3.212 3.784 1.00 54.11 O ATOM 540 CB ASN A1183 4.996 4.890 4.996 1.00 4.35 C ATOM 541 CG ASN A1183 4.090 5.270 3.839 1.00 5.11 C ATOM 542 OD1 ASN A1183 2.876 5.400 4.003 1.00 72.14 O ATOM 543 ND2 ASN A1183 4.674 5.450 2.659 1.00 30.02 N ATOM 0 H ASN A1183 4.437 2.457 7.125 1.00 41.43 H new ATOM 0 HA ASN A1183 3.959 3.021 5.010 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.707 5.456 5.882 1.00 4.35 H new ATOM 0 HB3 ASN A1183 6.022 5.171 4.758 1.00 4.35 H new ATOM 0 HD21 ASN A1183 4.113 5.706 1.846 1.00 30.02 H new ATOM 0 HD22 ASN A1183 5.683 5.332 2.566 1.00 30.02 H new ATOM 550 N ILE A1184 6.003 1.303 4.699 1.00 40.13 N ATOM 551 CA ILE A1184 6.950 0.410 4.036 1.00 12.01 C ATOM 552 C ILE A1184 6.332 -0.256 2.801 1.00 42.13 C ATOM 553 O ILE A1184 7.020 -0.483 1.804 1.00 61.31 O ATOM 554 CB ILE A1184 7.441 -0.681 5.020 1.00 12.40 C ATOM 555 CG1 ILE A1184 8.317 -0.060 6.115 1.00 34.52 C ATOM 556 CG2 ILE A1184 8.195 -1.788 4.292 1.00 50.22 C ATOM 557 CD1 ILE A1184 9.560 0.625 5.589 1.00 24.03 C ATOM 0 H ILE A1184 5.342 0.822 5.309 1.00 40.13 H new ATOM 0 HA ILE A1184 7.795 1.017 3.710 1.00 12.01 H new ATOM 0 HB ILE A1184 6.564 -1.130 5.487 1.00 12.40 H new ATOM 0 HG12 ILE A1184 7.724 0.664 6.675 1.00 34.52 H new ATOM 0 HG13 ILE A1184 8.613 -0.840 6.816 1.00 34.52 H new ATOM 0 HG21 ILE A1184 8.526 -2.537 5.012 1.00 50.22 H new ATOM 0 HG22 ILE A1184 7.537 -2.255 3.559 1.00 50.22 H new ATOM 0 HG23 ILE A1184 9.062 -1.365 3.785 1.00 50.22 H new ATOM 0 HD11 ILE A1184 10.128 1.039 6.422 1.00 24.03 H new ATOM 0 HD12 ILE A1184 10.176 -0.099 5.055 1.00 24.03 H new ATOM 0 HD13 ILE A1184 9.273 1.429 4.911 1.00 24.03 H new ATOM 569 N LYS A1185 5.035 -0.568 2.873 1.00 22.13 N ATOM 570 CA LYS A1185 4.335 -1.211 1.761 1.00 41.34 C ATOM 571 C LYS A1185 3.899 -0.178 0.727 1.00 65.14 C ATOM 572 O LYS A1185 3.915 -0.445 -0.476 1.00 73.52 O ATOM 573 CB LYS A1185 3.123 -2.004 2.270 1.00 2.33 C ATOM 574 CG LYS A1185 3.446 -3.445 2.650 1.00 2.30 C ATOM 575 CD LYS A1185 2.364 -4.049 3.538 1.00 72.33 C ATOM 576 CE LYS A1185 2.403 -5.574 3.521 1.00 71.00 C ATOM 577 NZ LYS A1185 1.675 -6.140 2.350 1.00 23.33 N ATOM 0 H LYS A1185 4.451 -0.386 3.689 1.00 22.13 H new ATOM 0 HA LYS A1185 5.025 -1.905 1.282 1.00 41.34 H new ATOM 0 HB2 LYS A1185 2.705 -1.494 3.138 1.00 2.33 H new ATOM 0 HB3 LYS A1185 2.352 -2.005 1.500 1.00 2.33 H new ATOM 0 HG2 LYS A1185 3.552 -4.045 1.746 1.00 2.30 H new ATOM 0 HG3 LYS A1185 4.404 -3.479 3.169 1.00 2.30 H new ATOM 0 HD2 LYS A1185 2.493 -3.694 4.560 1.00 72.33 H new ATOM 0 HD3 LYS A1185 1.385 -3.707 3.202 1.00 72.33 H new ATOM 0 HE2 LYS A1185 3.440 -5.910 3.500 1.00 71.00 H new ATOM 0 HE3 LYS A1185 1.963 -5.958 4.441 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 1.727 -7.178 2.378 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 0.679 -5.842 2.383 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 2.110 -5.795 1.471 1.00 23.33 H new ATOM 591 N LYS A1186 3.519 1.008 1.208 1.00 53.34 N ATOM 592 CA LYS A1186 3.084 2.107 0.349 1.00 34.15 C ATOM 593 C LYS A1186 2.058 1.642 -0.686 1.00 12.40 C ATOM 594 O LYS A1186 2.238 1.839 -1.888 1.00 50.03 O ATOM 595 CB LYS A1186 4.288 2.753 -0.349 1.00 44.31 C ATOM 596 CG LYS A1186 5.408 3.151 0.600 1.00 44.13 C ATOM 597 CD LYS A1186 6.588 2.196 0.503 1.00 34.02 C ATOM 598 CE LYS A1186 7.803 2.862 -0.127 1.00 63.44 C ATOM 599 NZ LYS A1186 7.553 3.266 -1.540 1.00 13.23 N ATOM 0 H LYS A1186 3.505 1.231 2.203 1.00 53.34 H new ATOM 0 HA LYS A1186 2.602 2.850 0.985 1.00 34.15 H new ATOM 0 HB2 LYS A1186 4.682 2.058 -1.090 1.00 44.31 H new ATOM 0 HB3 LYS A1186 3.951 3.638 -0.889 1.00 44.31 H new ATOM 0 HG2 LYS A1186 5.739 4.164 0.370 1.00 44.13 H new ATOM 0 HG3 LYS A1186 5.032 3.163 1.623 1.00 44.13 H new ATOM 0 HD2 LYS A1186 6.847 1.835 1.499 1.00 34.02 H new ATOM 0 HD3 LYS A1186 6.303 1.325 -0.088 1.00 34.02 H new ATOM 0 HE2 LYS A1186 8.078 3.740 0.457 1.00 63.44 H new ATOM 0 HE3 LYS A1186 8.650 2.177 -0.091 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 8.407 3.715 -1.929 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 7.316 2.425 -2.105 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 6.762 3.940 -1.574 1.00 13.23 H new ATOM 613 N GLN A1187 0.986 1.018 -0.210 1.00 50.40 N ATOM 614 CA GLN A1187 -0.063 0.518 -1.093 1.00 53.33 C ATOM 615 C GLN A1187 -1.448 0.804 -0.518 1.00 74.03 C ATOM 616 O GLN A1187 -1.581 1.276 0.612 1.00 12.15 O ATOM 617 CB GLN A1187 0.113 -0.986 -1.324 1.00 3.24 C ATOM 618 CG GLN A1187 0.910 -1.321 -2.577 1.00 52.22 C ATOM 619 CD GLN A1187 0.031 -1.479 -3.805 1.00 55.31 C ATOM 620 OE1 GLN A1187 -0.795 -0.617 -4.108 1.00 35.23 O ATOM 621 NE2 GLN A1187 0.204 -2.585 -4.523 1.00 25.41 N ATOM 0 H GLN A1187 0.820 0.846 0.782 1.00 50.40 H new ATOM 0 HA GLN A1187 0.022 1.037 -2.048 1.00 53.33 H new ATOM 0 HB2 GLN A1187 0.612 -1.422 -0.459 1.00 3.24 H new ATOM 0 HB3 GLN A1187 -0.870 -1.452 -1.393 1.00 3.24 H new ATOM 0 HG2 GLN A1187 1.642 -0.534 -2.758 1.00 52.22 H new ATOM 0 HG3 GLN A1187 1.467 -2.243 -2.413 1.00 52.22 H new ATOM 0 HE21 GLN A1187 0.899 -3.275 -4.238 1.00 25.41 H new ATOM 0 HE22 GLN A1187 -0.359 -2.744 -5.359 1.00 25.41 H new ATOM 630 N CYS A1188 -2.475 0.534 -1.321 1.00 24.13 N ATOM 631 CA CYS A1188 -3.857 0.777 -0.919 1.00 3.24 C ATOM 632 C CYS A1188 -4.387 -0.297 0.032 1.00 43.41 C ATOM 633 O CYS A1188 -3.966 -1.454 -0.013 1.00 40.23 O ATOM 634 CB CYS A1188 -4.762 0.891 -2.148 1.00 43.51 C ATOM 635 SG CYS A1188 -4.819 -0.599 -3.167 1.00 5.43 S ATOM 0 H CYS A1188 -2.374 0.145 -2.258 1.00 24.13 H new ATOM 0 HA CYS A1188 -3.868 1.722 -0.376 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -5.773 1.132 -1.820 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -4.419 1.724 -2.762 1.00 43.51 H new ATOM 0 HG CYS A1188 -4.516 -1.634 -2.440 1.00 5.43 H new ATOM 641 N CYS A1189 -5.339 0.114 0.867 1.00 75.03 N ATOM 642 CA CYS A1189 -5.983 -0.785 1.827 1.00 5.21 C ATOM 643 C CYS A1189 -6.464 -2.067 1.131 1.00 3.23 C ATOM 644 O CYS A1189 -7.056 -2.014 0.052 1.00 42.41 O ATOM 645 CB CYS A1189 -7.145 -0.049 2.510 1.00 1.22 C ATOM 646 SG CYS A1189 -8.385 -1.114 3.277 1.00 22.22 S ATOM 0 H CYS A1189 -5.685 1.073 0.899 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.261 -1.081 2.588 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -6.736 0.613 3.273 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -7.638 0.582 1.771 1.00 1.22 H new ATOM 0 HG CYS A1189 -9.543 -0.523 3.248 1.00 22.22 H new ATOM 651 N LYS A1190 -6.207 -3.216 1.770 1.00 63.32 N ATOM 652 CA LYS A1190 -6.608 -4.528 1.246 1.00 34.02 C ATOM 653 C LYS A1190 -8.132 -4.655 1.130 1.00 55.43 C ATOM 654 O LYS A1190 -8.638 -5.381 0.272 1.00 3.24 O ATOM 655 CB LYS A1190 -6.007 -5.648 2.112 1.00 42.40 C ATOM 656 CG LYS A1190 -6.823 -6.004 3.338 1.00 41.11 C ATOM 657 CD LYS A1190 -7.925 -6.974 2.996 1.00 65.13 C ATOM 658 CE LYS A1190 -7.425 -8.410 2.970 1.00 71.24 C ATOM 659 NZ LYS A1190 -7.732 -9.132 4.236 1.00 34.12 N ATOM 0 H LYS A1190 -5.716 -3.262 2.663 1.00 63.32 H new ATOM 0 HA LYS A1190 -6.213 -4.627 0.235 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -5.890 -6.541 1.498 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -5.009 -5.347 2.431 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -6.173 -6.440 4.097 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -7.252 -5.099 3.768 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -8.729 -6.882 3.726 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -8.346 -6.718 2.024 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -7.881 -8.937 2.132 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -6.348 -8.416 2.802 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -7.374 -10.107 4.175 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -7.276 -8.644 5.033 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -8.761 -9.150 4.385 1.00 34.12 H new ATOM 673 N MET A1191 -8.854 -3.935 1.989 1.00 51.35 N ATOM 674 CA MET A1191 -10.319 -3.945 1.993 1.00 43.31 C ATOM 675 C MET A1191 -10.890 -3.058 0.887 1.00 42.42 C ATOM 676 O MET A1191 -12.028 -3.260 0.458 1.00 52.24 O ATOM 677 CB MET A1191 -10.846 -3.477 3.354 1.00 14.25 C ATOM 678 CG MET A1191 -11.521 -4.578 4.158 1.00 23.42 C ATOM 679 SD MET A1191 -13.220 -4.170 4.604 1.00 75.10 S ATOM 680 CE MET A1191 -14.079 -4.593 3.090 1.00 20.12 C ATOM 0 H MET A1191 -8.443 -3.330 2.700 1.00 51.35 H new ATOM 0 HA MET A1191 -10.643 -4.969 1.808 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.018 -3.071 3.935 1.00 14.25 H new ATOM 0 HB3 MET A1191 -11.556 -2.664 3.199 1.00 14.25 H new ATOM 0 HG2 MET A1191 -11.513 -5.502 3.580 1.00 23.42 H new ATOM 0 HG3 MET A1191 -10.946 -4.765 5.065 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.903 -3.898 2.933 1.00 20.12 H new ATOM 0 HE2 MET A1191 -13.387 -4.531 2.250 1.00 20.12 H new ATOM 0 HE3 MET A1191 -14.470 -5.608 3.165 1.00 20.12 H new ATOM 690 N ARG A1192 -10.109 -2.080 0.425 1.00 70.22 N ATOM 691 CA ARG A1192 -10.568 -1.183 -0.631 1.00 25.23 C ATOM 692 C ARG A1192 -9.759 -1.341 -1.927 1.00 34.10 C ATOM 693 O ARG A1192 -9.919 -0.550 -2.860 1.00 21.31 O ATOM 694 CB ARG A1192 -10.527 0.273 -0.145 1.00 33.42 C ATOM 695 CG ARG A1192 -9.193 0.971 -0.364 1.00 44.45 C ATOM 696 CD ARG A1192 -9.220 2.399 0.163 1.00 14.13 C ATOM 697 NE ARG A1192 -7.963 2.774 0.810 1.00 74.11 N ATOM 698 CZ ARG A1192 -6.870 3.175 0.154 1.00 43.31 C ATOM 699 NH1 ARG A1192 -6.863 3.241 -1.176 1.00 72.34 N ATOM 700 NH2 ARG A1192 -5.776 3.506 0.832 1.00 41.14 N ATOM 0 H ARG A1192 -9.165 -1.892 0.763 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.597 -1.457 -0.864 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -11.307 0.837 -0.658 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -10.765 0.295 0.919 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -8.402 0.412 0.136 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -8.955 0.979 -1.428 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -9.421 3.084 -0.660 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -10.039 2.506 0.874 1.00 14.13 H new ATOM 0 HE ARG A1192 -7.918 2.726 1.828 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -7.697 2.984 -1.704 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -6.023 3.548 -1.667 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -5.772 3.454 1.851 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -4.940 3.812 0.334 1.00 41.14 H new ATOM 714 N LYS A1193 -8.906 -2.376 -1.996 1.00 12.22 N ATOM 715 CA LYS A1193 -8.101 -2.636 -3.188 1.00 53.34 C ATOM 716 C LYS A1193 -8.995 -2.971 -4.378 1.00 23.33 C ATOM 717 O LYS A1193 -9.825 -3.880 -4.314 1.00 10.03 O ATOM 718 CB LYS A1193 -7.118 -3.786 -2.929 1.00 52.02 C ATOM 719 CG LYS A1193 -6.379 -4.265 -4.173 1.00 53.24 C ATOM 720 CD LYS A1193 -5.503 -3.169 -4.763 1.00 44.42 C ATOM 721 CE LYS A1193 -5.273 -3.373 -6.252 1.00 34.02 C ATOM 722 NZ LYS A1193 -5.223 -2.080 -6.989 1.00 62.42 N ATOM 0 H LYS A1193 -8.760 -3.043 -1.238 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.535 -1.734 -3.421 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -6.387 -3.465 -2.187 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -7.663 -4.625 -2.498 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -5.762 -5.128 -3.921 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -7.100 -4.596 -4.920 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -5.972 -2.199 -4.597 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -4.544 -3.152 -4.246 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -4.339 -3.914 -6.404 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -6.071 -3.993 -6.661 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -5.065 -2.263 -8.000 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -6.124 -1.575 -6.865 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -4.446 -1.498 -6.617 1.00 62.42 H new ATOM 736 N CYS A1194 -8.810 -2.218 -5.459 1.00 72.22 N ATOM 737 CA CYS A1194 -9.589 -2.416 -6.677 1.00 10.42 C ATOM 738 C CYS A1194 -9.382 -3.826 -7.244 1.00 55.20 C ATOM 739 O CYS A1194 -8.264 -4.214 -7.583 1.00 0.11 O ATOM 740 CB CYS A1194 -9.201 -1.368 -7.724 1.00 74.32 C ATOM 741 SG CYS A1194 -10.153 -1.463 -9.256 1.00 0.41 S ATOM 0 H CYS A1194 -8.126 -1.464 -5.516 1.00 72.22 H new ATOM 0 HA CYS A1194 -10.644 -2.302 -6.427 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -9.327 -0.375 -7.292 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.143 -1.481 -7.960 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.381 -1.790 -8.984 1.00 0.41 H new ATOM 746 N GLN A1195 -10.480 -4.580 -7.342 1.00 50.31 N ATOM 747 CA GLN A1195 -10.449 -5.948 -7.868 1.00 20.22 C ATOM 748 C GLN A1195 -10.665 -5.979 -9.390 1.00 15.11 C ATOM 749 O GLN A1195 -10.690 -7.053 -9.996 1.00 43.24 O ATOM 750 CB GLN A1195 -11.518 -6.795 -7.171 1.00 45.21 C ATOM 751 CG GLN A1195 -11.296 -8.294 -7.305 1.00 43.13 C ATOM 752 CD GLN A1195 -12.503 -9.013 -7.882 1.00 50.42 C ATOM 753 OE1 GLN A1195 -12.505 -9.406 -9.048 1.00 71.33 O ATOM 754 NE2 GLN A1195 -13.538 -9.188 -7.067 1.00 42.22 N ATOM 0 H GLN A1195 -11.408 -4.263 -7.062 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.461 -6.362 -7.666 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -11.543 -6.534 -6.113 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -12.495 -6.543 -7.584 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -10.431 -8.474 -7.943 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -11.062 -8.712 -6.326 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -13.495 -8.846 -6.107 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -14.376 -9.664 -7.402 1.00 42.22 H new ATOM 763 N ASN A1196 -10.815 -4.801 -9.998 1.00 31.31 N ATOM 764 CA ASN A1196 -11.023 -4.697 -11.438 1.00 53.34 C ATOM 765 C ASN A1196 -10.397 -3.409 -11.966 1.00 64.12 C ATOM 766 O ASN A1196 -11.076 -2.569 -12.555 1.00 45.42 O ATOM 767 CB ASN A1196 -12.522 -4.739 -11.761 1.00 22.42 C ATOM 768 CG ASN A1196 -12.794 -4.987 -13.234 1.00 75.25 C ATOM 769 OD1 ASN A1196 -12.506 -6.064 -13.757 1.00 22.25 O ATOM 770 ND2 ASN A1196 -13.352 -3.989 -13.913 1.00 70.22 N ATOM 0 H ASN A1196 -10.796 -3.905 -9.511 1.00 31.31 H new ATOM 0 HA ASN A1196 -10.541 -5.543 -11.927 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -12.995 -5.523 -11.171 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -12.981 -3.796 -11.464 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -13.557 -4.100 -14.906 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -13.575 -3.113 -13.441 1.00 70.22 H new ATOM 777 N LEU A1197 -9.089 -3.264 -11.749 1.00 41.12 N ATOM 778 CA LEU A1197 -8.362 -2.079 -12.197 1.00 72.14 C ATOM 779 C LEU A1197 -8.533 -1.863 -13.692 1.00 40.01 C ATOM 780 O LEU A1197 -8.390 -2.788 -14.493 1.00 52.43 O ATOM 781 CB LEU A1197 -6.872 -2.194 -11.857 1.00 60.33 C ATOM 782 CG LEU A1197 -6.422 -1.459 -10.589 1.00 11.12 C ATOM 783 CD1 LEU A1197 -4.914 -1.261 -10.600 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.123 -0.115 -10.455 1.00 53.11 C ATOM 0 H LEU A1197 -8.513 -3.953 -11.266 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.780 -1.220 -11.672 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.623 -3.250 -11.751 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -6.295 -1.813 -12.700 1.00 60.33 H new ATOM 0 HG LEU A1197 -6.695 -2.073 -9.731 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -4.609 -0.738 -9.694 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -4.420 -2.232 -10.642 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.631 -0.671 -11.472 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -6.784 0.383 -9.547 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.887 0.506 -11.319 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.201 -0.270 -10.403 1.00 53.11 H new