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: A1187 GLN : amide:sc= 0.00633 K(o=0.25,f=-1.5) USER MOD Set 1.2: A1193 LYS NZ :NH3+ 168:sc= 0.243 (180deg=0.268) USER MOD Set 2.1: A1176 LYS NZ :NH3+ 172:sc= -0.119 (180deg=-0.234) USER MOD Set 2.2: A1183 ASN : amide:sc= -2.08! C(o=-2.2!,f=-4.8!) USER MOD Set 3.1: A1172 ASN : amide:sc= -1.29 K(o=-1.1,f=-7.9!) USER MOD Set 3.2: A1185 LYS NZ :NH3+ -127:sc= 0.217 (180deg=-0.31) USER MOD Set 3.3: A1190 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0428) USER MOD Set 4.1: A1167 CYS SG : rot -71:sc= 0.978 USER MOD Set 4.2: A1170 CYS SG : rot -61:sc= 1.19 USER MOD Set 4.3: A1173 CYS SG : rot -40:sc= -3.34! USER MOD Set 4.4: A1189 CYS SG : rot -150:sc= 0.477 USER MOD Set 5.1: A1155 CYS SG : rot -14:sc= -1.46 USER MOD Set 5.2: A1158 CYS SG : rot -64:sc= 0.352 USER MOD Set 5.3: A1161 CYS SG : rot 60:sc= -3.41! USER MOD Set 5.4: A1194 CYS SG : rot 47:sc= -0.359 USER MOD Single : A1157 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.43) USER MOD Single : A1162 GLN : amide:sc= -0.842 X(o=-0.84,f=-0.84) USER MOD Single : A1171 THR OG1 : rot 165:sc= -2.29! USER MOD Single : A1178 LYS NZ :NH3+ -147:sc= 0.163 (180deg=0) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1188 CYS SG : rot 180:sc= 0 USER MOD Single : A1191 MET CE :methyl -131:sc= -0.0485 (180deg=-2.79!) USER MOD Single : A1195 GLN : amide:sc= 0 X(o=0,f=0.034) USER MOD Single : A1196 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -6.387 2.873 -12.545 1.00 33.42 N ATOM 112 CA ARG A1153 -7.654 3.529 -12.215 1.00 41.43 C ATOM 113 C ARG A1153 -8.720 2.548 -11.739 1.00 11.15 C ATOM 114 O ARG A1153 -8.983 1.536 -12.387 1.00 31.14 O ATOM 115 CB ARG A1153 -8.184 4.276 -13.437 1.00 14.30 C ATOM 116 CG ARG A1153 -9.062 5.463 -13.090 1.00 73.14 C ATOM 117 CD ARG A1153 -8.562 6.729 -13.760 1.00 1.24 C ATOM 118 NE ARG A1153 -8.840 6.730 -15.197 1.00 23.40 N ATOM 119 CZ ARG A1153 -9.047 7.833 -15.923 1.00 2.31 C ATOM 120 NH1 ARG A1153 -8.991 9.038 -15.361 1.00 44.11 N ATOM 121 NH2 ARG A1153 -9.307 7.725 -17.223 1.00 74.32 N ATOM 0 HA ARG A1153 -7.447 4.219 -11.397 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -7.341 4.621 -14.035 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -8.753 3.583 -14.057 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -10.087 5.264 -13.402 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -9.079 5.603 -12.009 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -9.035 7.596 -13.298 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -7.489 6.827 -13.597 1.00 1.24 H new ATOM 0 HE ARG A1153 -8.878 5.830 -15.676 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -8.788 9.127 -14.365 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -9.151 9.872 -15.926 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -9.347 6.804 -17.660 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -9.466 8.563 -17.783 1.00 74.32 H new ATOM 135 N ARG A1154 -9.353 2.872 -10.615 1.00 52.40 N ATOM 136 CA ARG A1154 -10.415 2.036 -10.063 1.00 62.14 C ATOM 137 C ARG A1154 -11.622 2.018 -11.013 1.00 30.30 C ATOM 138 O ARG A1154 -12.016 3.063 -11.538 1.00 74.42 O ATOM 139 CB ARG A1154 -10.839 2.568 -8.691 1.00 45.41 C ATOM 140 CG ARG A1154 -10.019 2.006 -7.537 1.00 23.13 C ATOM 141 CD ARG A1154 -9.117 3.067 -6.922 1.00 3.20 C ATOM 142 NE ARG A1154 -7.893 3.270 -7.699 1.00 15.22 N ATOM 143 CZ ARG A1154 -6.959 4.176 -7.400 1.00 23.13 C ATOM 144 NH1 ARG A1154 -7.095 4.963 -6.335 1.00 2.55 N ATOM 145 NH2 ARG A1154 -5.882 4.294 -8.169 1.00 40.44 N ATOM 0 H ARG A1154 -9.149 3.708 -10.068 1.00 52.40 H new ATOM 0 HA ARG A1154 -10.040 1.019 -9.950 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -10.754 3.655 -8.690 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -11.890 2.330 -8.528 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -10.688 1.609 -6.773 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -9.412 1.173 -7.893 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -9.662 4.009 -6.853 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -8.856 2.774 -5.905 1.00 3.20 H new ATOM 0 HE ARG A1154 -7.745 2.683 -8.520 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -7.918 4.877 -5.739 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -6.376 5.652 -6.115 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -5.770 3.693 -8.986 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -5.167 4.985 -7.943 1.00 40.44 H new ATOM 159 N CYS A1155 -12.200 0.834 -11.237 1.00 23.05 N ATOM 160 CA CYS A1155 -13.353 0.681 -12.129 1.00 1.11 C ATOM 161 C CYS A1155 -14.570 1.469 -11.645 1.00 10.20 C ATOM 162 O CYS A1155 -15.228 2.142 -12.440 1.00 75.34 O ATOM 163 CB CYS A1155 -13.727 -0.797 -12.280 1.00 33.23 C ATOM 164 SG CYS A1155 -14.004 -1.662 -10.720 1.00 53.42 S ATOM 0 H CYS A1155 -11.886 -0.037 -10.810 1.00 23.05 H new ATOM 0 HA CYS A1155 -13.056 1.085 -13.097 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.630 -0.870 -12.887 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.933 -1.306 -12.827 1.00 33.23 H new ATOM 0 HG CYS A1155 -13.546 -0.943 -9.738 1.00 53.42 H new ATOM 169 N GLY A1156 -14.871 1.385 -10.346 1.00 23.42 N ATOM 170 CA GLY A1156 -16.013 2.099 -9.800 1.00 72.43 C ATOM 171 C GLY A1156 -17.230 1.211 -9.561 1.00 43.32 C ATOM 172 O GLY A1156 -18.224 1.671 -8.996 1.00 3.12 O ATOM 0 H GLY A1156 -14.344 0.836 -9.667 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.723 2.565 -8.858 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -16.289 2.903 -10.482 1.00 72.43 H new ATOM 176 N GLN A1157 -17.172 -0.051 -10.008 1.00 34.13 N ATOM 177 CA GLN A1157 -18.305 -0.973 -9.848 1.00 5.23 C ATOM 178 C GLN A1157 -17.951 -2.231 -9.040 1.00 54.32 C ATOM 179 O GLN A1157 -18.847 -2.982 -8.649 1.00 24.22 O ATOM 180 CB GLN A1157 -18.849 -1.379 -11.220 1.00 1.14 C ATOM 181 CG GLN A1157 -19.468 -0.227 -11.998 1.00 4.15 C ATOM 182 CD GLN A1157 -18.431 0.630 -12.706 1.00 45.04 C ATOM 183 OE1 GLN A1157 -17.649 0.133 -13.517 1.00 51.54 O ATOM 184 NE2 GLN A1157 -18.418 1.924 -12.402 1.00 12.22 N ATOM 0 H GLN A1157 -16.362 -0.454 -10.479 1.00 34.13 H new ATOM 0 HA GLN A1157 -19.066 -0.435 -9.283 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -18.039 -1.810 -11.809 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -19.598 -2.160 -11.088 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -20.167 -0.625 -12.733 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -20.045 0.398 -11.316 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -19.084 2.295 -11.724 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -17.742 2.546 -12.847 1.00 12.22 H new ATOM 193 N CYS A1158 -16.661 -2.470 -8.795 1.00 21.34 N ATOM 194 CA CYS A1158 -16.235 -3.653 -8.040 1.00 11.34 C ATOM 195 C CYS A1158 -16.478 -3.474 -6.539 1.00 1.24 C ATOM 196 O CYS A1158 -16.590 -2.349 -6.047 1.00 10.22 O ATOM 197 CB CYS A1158 -14.758 -3.958 -8.307 1.00 53.42 C ATOM 198 SG CYS A1158 -13.609 -2.838 -7.481 1.00 41.45 S ATOM 0 H CYS A1158 -15.899 -1.867 -9.104 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.835 -4.497 -8.379 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -14.546 -4.978 -7.987 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -14.579 -3.917 -9.381 1.00 53.42 H new ATOM 0 HG CYS A1158 -13.763 -1.635 -7.949 1.00 41.45 H new ATOM 203 N PRO A1159 -16.573 -4.595 -5.789 1.00 13.34 N ATOM 204 CA PRO A1159 -16.815 -4.569 -4.336 1.00 52.32 C ATOM 205 C PRO A1159 -15.722 -3.831 -3.559 1.00 10.44 C ATOM 206 O PRO A1159 -16.002 -3.202 -2.536 1.00 34.34 O ATOM 207 CB PRO A1159 -16.846 -6.051 -3.941 1.00 33.14 C ATOM 208 CG PRO A1159 -17.107 -6.786 -5.211 1.00 53.42 C ATOM 209 CD PRO A1159 -16.463 -5.973 -6.296 1.00 42.13 C ATOM 0 HA PRO A1159 -17.734 -4.032 -4.099 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.901 -6.360 -3.494 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -17.626 -6.247 -3.205 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -16.687 -7.791 -5.174 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -18.177 -6.894 -5.387 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -15.424 -6.263 -6.454 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.977 -6.094 -7.250 1.00 42.13 H new ATOM 217 N GLY A1160 -14.486 -3.884 -4.066 1.00 75.21 N ATOM 218 CA GLY A1160 -13.385 -3.184 -3.420 1.00 43.32 C ATOM 219 C GLY A1160 -13.523 -1.679 -3.566 1.00 4.10 C ATOM 220 O GLY A1160 -13.192 -0.922 -2.653 1.00 54.55 O ATOM 0 H GLY A1160 -14.231 -4.398 -4.909 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -13.355 -3.447 -2.363 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -12.440 -3.508 -3.856 1.00 43.32 H new ATOM 224 N CYS A1161 -14.048 -1.256 -4.720 1.00 41.14 N ATOM 225 CA CYS A1161 -14.280 0.156 -5.012 1.00 54.42 C ATOM 226 C CYS A1161 -15.436 0.704 -4.177 1.00 32.30 C ATOM 227 O CYS A1161 -15.547 1.916 -3.977 1.00 53.41 O ATOM 228 CB CYS A1161 -14.569 0.357 -6.502 1.00 63.34 C ATOM 229 SG CYS A1161 -13.091 0.599 -7.512 1.00 42.02 S ATOM 0 H CYS A1161 -14.323 -1.884 -5.475 1.00 41.14 H new ATOM 0 HA CYS A1161 -13.375 0.705 -4.751 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -15.114 -0.510 -6.876 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -15.223 1.221 -6.621 1.00 63.34 H new ATOM 0 HG CYS A1161 -12.318 -0.441 -7.407 1.00 42.02 H new ATOM 234 N GLN A1162 -16.298 -0.197 -3.690 1.00 33.23 N ATOM 235 CA GLN A1162 -17.447 0.187 -2.878 1.00 41.33 C ATOM 236 C GLN A1162 -17.035 0.493 -1.438 1.00 43.34 C ATOM 237 O GLN A1162 -17.767 1.185 -0.732 1.00 22.15 O ATOM 238 CB GLN A1162 -18.503 -0.921 -2.893 1.00 63.42 C ATOM 239 CG GLN A1162 -19.239 -1.047 -4.219 1.00 70.05 C ATOM 240 CD GLN A1162 -19.735 -2.457 -4.484 1.00 21.00 C ATOM 241 OE1 GLN A1162 -20.290 -3.110 -3.600 1.00 64.12 O ATOM 242 NE2 GLN A1162 -19.537 -2.936 -5.708 1.00 3.02 N ATOM 0 H GLN A1162 -16.216 -1.201 -3.848 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.870 1.094 -3.310 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -18.022 -1.872 -2.663 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -19.228 -0.730 -2.102 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -20.086 -0.361 -4.226 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -18.576 -0.742 -5.028 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -19.073 -2.362 -6.412 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -19.849 -3.878 -5.944 1.00 3.02 H new ATOM 251 N VAL A1163 -15.852 0.027 -1.009 1.00 50.22 N ATOM 252 CA VAL A1163 -15.367 0.324 0.337 1.00 63.43 C ATOM 253 C VAL A1163 -14.833 1.761 0.343 1.00 1.44 C ATOM 254 O VAL A1163 -13.833 2.060 -0.312 1.00 23.11 O ATOM 255 CB VAL A1163 -14.279 -0.681 0.792 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.554 -0.203 2.041 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.895 -2.051 1.029 1.00 45.33 C ATOM 0 H VAL A1163 -15.225 -0.549 -1.570 1.00 50.22 H new ATOM 0 HA VAL A1163 -16.187 0.226 1.049 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.541 -0.753 -0.007 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.800 -0.936 2.327 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -13.072 0.754 1.838 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -14.270 -0.084 2.854 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -14.120 -2.748 1.348 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.659 -1.978 1.803 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -15.348 -2.411 0.105 1.00 45.33 H new ATOM 267 N PRO A1164 -15.533 2.683 1.036 1.00 71.44 N ATOM 268 CA PRO A1164 -15.163 4.104 1.064 1.00 13.33 C ATOM 269 C PRO A1164 -14.055 4.470 2.050 1.00 5.30 C ATOM 270 O PRO A1164 -13.548 5.594 2.007 1.00 5.32 O ATOM 271 CB PRO A1164 -16.470 4.778 1.473 1.00 15.33 C ATOM 272 CG PRO A1164 -17.147 3.779 2.346 1.00 1.11 C ATOM 273 CD PRO A1164 -16.773 2.426 1.802 1.00 3.53 C ATOM 0 HA PRO A1164 -14.751 4.412 0.103 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -16.286 5.711 2.006 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -17.080 5.023 0.603 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -16.825 3.885 3.382 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -18.228 3.919 2.333 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.606 1.705 2.603 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.559 2.020 1.166 1.00 3.53 H new ATOM 281 N GLU A1165 -13.680 3.555 2.944 1.00 65.22 N ATOM 282 CA GLU A1165 -12.643 3.856 3.921 1.00 11.42 C ATOM 283 C GLU A1165 -11.776 2.647 4.247 1.00 40.05 C ATOM 284 O GLU A1165 -12.238 1.504 4.238 1.00 72.02 O ATOM 285 CB GLU A1165 -13.267 4.391 5.206 1.00 54.32 C ATOM 286 CG GLU A1165 -14.692 3.929 5.436 1.00 74.44 C ATOM 287 CD GLU A1165 -14.791 2.441 5.723 1.00 4.32 C ATOM 288 OE1 GLU A1165 -14.368 2.018 6.820 1.00 4.11 O ATOM 289 OE2 GLU A1165 -15.286 1.700 4.848 1.00 55.43 O ATOM 0 H GLU A1165 -14.073 2.616 3.009 1.00 65.22 H new ATOM 0 HA GLU A1165 -12.000 4.613 3.472 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -12.654 4.081 6.052 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -13.248 5.481 5.181 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -15.118 4.484 6.271 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -15.292 4.165 4.557 1.00 74.44 H new ATOM 296 N ASP A1166 -10.517 2.933 4.566 1.00 52.42 N ATOM 297 CA ASP A1166 -9.545 1.910 4.943 1.00 54.32 C ATOM 298 C ASP A1166 -10.030 1.129 6.160 1.00 24.20 C ATOM 299 O ASP A1166 -10.493 1.710 7.143 1.00 4.45 O ATOM 300 CB ASP A1166 -8.170 2.534 5.243 1.00 42.32 C ATOM 301 CG ASP A1166 -8.248 3.951 5.790 1.00 32.30 C ATOM 302 OD1 ASP A1166 -8.912 4.156 6.829 1.00 11.20 O ATOM 303 OD2 ASP A1166 -7.640 4.855 5.180 1.00 1.41 O ATOM 0 H ASP A1166 -10.141 3.881 4.571 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.441 1.228 4.099 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -7.644 1.905 5.962 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.576 2.539 4.329 1.00 42.32 H new ATOM 308 N CYS A1167 -9.915 -0.194 6.079 1.00 33.35 N ATOM 309 CA CYS A1167 -10.332 -1.076 7.168 1.00 12.51 C ATOM 310 C CYS A1167 -9.579 -0.754 8.460 1.00 3.00 C ATOM 311 O CYS A1167 -10.149 -0.795 9.552 1.00 75.13 O ATOM 312 CB CYS A1167 -10.135 -2.546 6.784 1.00 20.21 C ATOM 313 SG CYS A1167 -8.435 -2.986 6.356 1.00 63.11 S ATOM 0 H CYS A1167 -9.535 -0.681 5.268 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.394 -0.905 7.345 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -10.461 -3.172 7.614 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -10.781 -2.777 5.937 1.00 20.21 H new ATOM 0 HG CYS A1167 -8.123 -2.451 5.213 1.00 63.11 H new ATOM 318 N GLY A1168 -8.293 -0.417 8.315 1.00 61.35 N ATOM 319 CA GLY A1168 -7.467 -0.069 9.458 1.00 61.11 C ATOM 320 C GLY A1168 -6.785 -1.258 10.120 1.00 41.43 C ATOM 321 O GLY A1168 -6.037 -1.075 11.082 1.00 11.55 O ATOM 0 H GLY A1168 -7.810 -0.380 7.417 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -6.704 0.641 9.138 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.086 0.439 10.198 1.00 61.11 H new ATOM 325 N VAL A1169 -7.043 -2.476 9.630 1.00 5.14 N ATOM 326 CA VAL A1169 -6.440 -3.670 10.224 1.00 10.32 C ATOM 327 C VAL A1169 -5.479 -4.398 9.276 1.00 1.33 C ATOM 328 O VAL A1169 -4.615 -5.150 9.729 1.00 0.21 O ATOM 329 CB VAL A1169 -7.512 -4.664 10.721 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.245 -4.100 11.928 1.00 64.11 C ATOM 331 CG2 VAL A1169 -8.491 -5.008 9.606 1.00 34.30 C ATOM 0 H VAL A1169 -7.656 -2.658 8.835 1.00 5.14 H new ATOM 0 HA VAL A1169 -5.861 -3.305 11.072 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.010 -5.583 11.024 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -8.996 -4.815 12.264 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -7.533 -3.917 12.733 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -8.731 -3.164 11.654 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.237 -5.710 9.980 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -8.987 -4.100 9.264 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -7.951 -5.461 8.775 1.00 34.30 H new ATOM 341 N CYS A1170 -5.622 -4.171 7.965 1.00 31.54 N ATOM 342 CA CYS A1170 -4.759 -4.808 6.977 1.00 20.33 C ATOM 343 C CYS A1170 -3.353 -4.208 7.022 1.00 31.20 C ATOM 344 O CYS A1170 -3.168 -3.044 7.377 1.00 41.54 O ATOM 345 CB CYS A1170 -5.363 -4.689 5.575 1.00 20.04 C ATOM 346 SG CYS A1170 -5.155 -3.074 4.795 1.00 33.30 S ATOM 0 H CYS A1170 -6.328 -3.551 7.569 1.00 31.54 H new ATOM 0 HA CYS A1170 -4.681 -5.867 7.221 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -4.911 -5.447 4.935 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -6.428 -4.914 5.633 1.00 20.04 H new ATOM 0 HG CYS A1170 -5.752 -2.167 5.510 1.00 33.30 H new ATOM 351 N THR A1171 -2.372 -5.027 6.659 1.00 13.53 N ATOM 352 CA THR A1171 -0.959 -4.618 6.651 1.00 51.14 C ATOM 353 C THR A1171 -0.704 -3.357 5.816 1.00 25.34 C ATOM 354 O THR A1171 0.236 -2.613 6.096 1.00 45.43 O ATOM 355 CB THR A1171 -0.063 -5.752 6.138 1.00 43.21 C ATOM 356 OG1 THR A1171 1.286 -5.327 6.051 1.00 64.41 O ATOM 357 CG2 THR A1171 -0.479 -6.275 4.780 1.00 25.44 C ATOM 0 H THR A1171 -2.525 -5.991 6.362 1.00 13.53 H new ATOM 0 HA THR A1171 -0.710 -4.386 7.687 1.00 51.14 H new ATOM 0 HB THR A1171 -0.171 -6.558 6.863 1.00 43.21 H new ATOM 0 HG1 THR A1171 1.870 -6.109 5.959 1.00 64.41 H new ATOM 0 HG21 THR A1171 0.196 -7.075 4.476 1.00 25.44 H new ATOM 0 HG22 THR A1171 -1.497 -6.660 4.835 1.00 25.44 H new ATOM 0 HG23 THR A1171 -0.436 -5.467 4.050 1.00 25.44 H new ATOM 365 N ASN A1172 -1.533 -3.115 4.797 1.00 64.24 N ATOM 366 CA ASN A1172 -1.361 -1.935 3.947 1.00 51.03 C ATOM 367 C ASN A1172 -1.760 -0.680 4.718 1.00 13.52 C ATOM 368 O ASN A1172 -1.049 0.326 4.698 1.00 4.51 O ATOM 369 CB ASN A1172 -2.196 -2.062 2.668 1.00 22.23 C ATOM 370 CG ASN A1172 -1.662 -3.128 1.725 1.00 72.54 C ATOM 371 OD1 ASN A1172 -1.159 -4.162 2.160 1.00 70.45 O ATOM 372 ND2 ASN A1172 -1.770 -2.880 0.425 1.00 72.54 N ATOM 0 H ASN A1172 -2.320 -3.712 4.543 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.312 -1.860 3.662 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -3.226 -2.300 2.933 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -2.213 -1.102 2.153 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -1.429 -3.560 -0.254 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -2.194 -2.009 0.105 1.00 72.54 H new ATOM 379 N CYS A1173 -2.886 -0.767 5.422 1.00 72.10 N ATOM 380 CA CYS A1173 -3.383 0.332 6.236 1.00 51.15 C ATOM 381 C CYS A1173 -2.457 0.567 7.425 1.00 32.02 C ATOM 382 O CYS A1173 -2.091 1.703 7.716 1.00 1.11 O ATOM 383 CB CYS A1173 -4.795 0.024 6.743 1.00 10.14 C ATOM 384 SG CYS A1173 -6.087 0.190 5.491 1.00 43.23 S ATOM 0 H CYS A1173 -3.475 -1.599 5.442 1.00 72.10 H new ATOM 0 HA CYS A1173 -3.413 1.230 5.619 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -4.814 -0.993 7.135 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -5.023 0.691 7.575 1.00 10.14 H new ATOM 0 HG CYS A1173 -5.846 1.234 4.755 1.00 43.23 H new ATOM 389 N LEU A1174 -2.068 -0.518 8.100 1.00 55.10 N ATOM 390 CA LEU A1174 -1.170 -0.420 9.250 1.00 75.13 C ATOM 391 C LEU A1174 0.149 0.240 8.866 1.00 24.23 C ATOM 392 O LEU A1174 0.740 0.966 9.664 1.00 21.32 O ATOM 393 CB LEU A1174 -0.907 -1.802 9.851 1.00 12.24 C ATOM 394 CG LEU A1174 -2.157 -2.562 10.287 1.00 14.22 C ATOM 395 CD1 LEU A1174 -1.800 -3.977 10.719 1.00 44.35 C ATOM 396 CD2 LEU A1174 -2.860 -1.815 11.407 1.00 44.31 C ATOM 0 H LEU A1174 -2.360 -1.468 7.871 1.00 55.10 H new ATOM 0 HA LEU A1174 -1.661 0.203 9.998 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.370 -2.405 9.118 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.250 -1.688 10.713 1.00 12.24 H new ATOM 0 HG LEU A1174 -2.838 -2.631 9.439 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -2.704 -4.503 11.026 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.338 -4.506 9.886 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.102 -3.937 11.555 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -3.750 -2.367 11.710 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -2.186 -1.718 12.258 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.149 -0.824 11.058 1.00 44.31 H new ATOM 408 N ASP A1175 0.603 -0.018 7.638 1.00 70.13 N ATOM 409 CA ASP A1175 1.855 0.554 7.153 1.00 70.13 C ATOM 410 C ASP A1175 1.752 2.070 7.003 1.00 61.50 C ATOM 411 O ASP A1175 2.753 2.773 7.113 1.00 5.34 O ATOM 412 CB ASP A1175 2.272 -0.087 5.826 1.00 65.04 C ATOM 413 CG ASP A1175 3.421 -1.061 5.995 1.00 40.44 C ATOM 414 OD1 ASP A1175 4.579 -0.601 6.087 1.00 22.11 O ATOM 415 OD2 ASP A1175 3.165 -2.282 6.036 1.00 32.31 O ATOM 0 H ASP A1175 0.123 -0.617 6.966 1.00 70.13 H new ATOM 0 HA ASP A1175 2.623 0.340 7.896 1.00 70.13 H new ATOM 0 HB2 ASP A1175 1.418 -0.607 5.392 1.00 65.04 H new ATOM 0 HB3 ASP A1175 2.561 0.694 5.122 1.00 65.04 H new ATOM 420 N LYS A1176 0.536 2.576 6.779 1.00 62.33 N ATOM 421 CA LYS A1176 0.318 4.014 6.646 1.00 41.01 C ATOM 422 C LYS A1176 0.566 4.710 7.983 1.00 53.14 C ATOM 423 O LYS A1176 0.276 4.149 9.042 1.00 31.05 O ATOM 424 CB LYS A1176 -1.109 4.303 6.170 1.00 50.13 C ATOM 425 CG LYS A1176 -1.456 3.655 4.840 1.00 60.51 C ATOM 426 CD LYS A1176 -1.096 4.556 3.670 1.00 3.32 C ATOM 427 CE LYS A1176 -0.944 3.760 2.384 1.00 44.32 C ATOM 428 NZ LYS A1176 0.184 4.259 1.550 1.00 42.40 N ATOM 0 H LYS A1176 -0.308 2.011 6.687 1.00 62.33 H new ATOM 0 HA LYS A1176 1.019 4.399 5.905 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -1.812 3.955 6.927 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -1.242 5.381 6.083 1.00 50.13 H new ATOM 0 HG2 LYS A1176 -0.926 2.707 4.747 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -2.522 3.429 4.812 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -1.869 5.314 3.541 1.00 3.32 H new ATOM 0 HD3 LYS A1176 -0.166 5.082 3.886 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -0.780 2.710 2.625 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -1.870 3.815 1.812 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 0.340 3.610 0.753 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 -0.046 5.206 1.186 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 1.047 4.310 2.128 1.00 42.40 H new ATOM 442 N PRO A1177 1.106 5.943 7.956 1.00 43.21 N ATOM 443 CA PRO A1177 1.387 6.710 9.177 1.00 21.41 C ATOM 444 C PRO A1177 0.139 6.920 10.032 1.00 70.01 C ATOM 445 O PRO A1177 0.206 6.871 11.261 1.00 21.51 O ATOM 446 CB PRO A1177 1.920 8.053 8.658 1.00 41.24 C ATOM 447 CG PRO A1177 1.513 8.111 7.224 1.00 60.34 C ATOM 448 CD PRO A1177 1.481 6.689 6.745 1.00 32.13 C ATOM 0 HA PRO A1177 2.091 6.188 9.826 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.499 8.887 9.220 1.00 41.24 H new ATOM 0 HB3 PRO A1177 3.003 8.113 8.762 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.536 8.582 7.115 1.00 60.34 H new ATOM 0 HG3 PRO A1177 2.219 8.703 6.642 1.00 60.34 H new ATOM 0 HD2 PRO A1177 0.756 6.549 5.943 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.449 6.371 6.358 1.00 32.13 H new ATOM 456 N LYS A1178 -1.000 7.155 9.370 1.00 31.54 N ATOM 457 CA LYS A1178 -2.276 7.374 10.056 1.00 31.40 C ATOM 458 C LYS A1178 -2.660 6.206 10.981 1.00 61.44 C ATOM 459 O LYS A1178 -3.482 6.373 11.883 1.00 21.41 O ATOM 460 CB LYS A1178 -3.394 7.624 9.036 1.00 41.11 C ATOM 461 CG LYS A1178 -3.711 6.420 8.161 1.00 75.34 C ATOM 462 CD LYS A1178 -4.709 6.768 7.066 1.00 3.54 C ATOM 463 CE LYS A1178 -6.142 6.724 7.577 1.00 41.41 C ATOM 464 NZ LYS A1178 -7.068 7.503 6.708 1.00 34.11 N ATOM 0 H LYS A1178 -1.062 7.198 8.353 1.00 31.54 H new ATOM 0 HA LYS A1178 -2.149 8.255 10.685 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -4.298 7.922 9.568 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -3.109 8.460 8.397 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -2.792 6.045 7.710 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -4.113 5.617 8.779 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -4.491 7.763 6.678 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -4.597 6.070 6.236 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -6.477 5.688 7.627 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -6.177 7.120 8.592 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -7.821 7.922 7.291 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -6.540 8.260 6.228 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -7.491 6.872 5.998 1.00 34.11 H new ATOM 478 N PHE A1179 -2.064 5.029 10.752 1.00 11.35 N ATOM 479 CA PHE A1179 -2.346 3.841 11.563 1.00 74.35 C ATOM 480 C PHE A1179 -1.153 3.462 12.449 1.00 71.33 C ATOM 481 O PHE A1179 -1.139 2.383 13.048 1.00 74.31 O ATOM 482 CB PHE A1179 -2.731 2.674 10.651 1.00 0.15 C ATOM 483 CG PHE A1179 -4.101 2.825 10.046 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.236 2.592 10.804 1.00 1.32 C ATOM 485 CD2 PHE A1179 -4.252 3.204 8.721 1.00 51.03 C ATOM 486 CE1 PHE A1179 -6.494 2.733 10.254 1.00 71.30 C ATOM 487 CE2 PHE A1179 -5.507 3.346 8.164 1.00 13.33 C ATOM 488 CZ PHE A1179 -6.630 3.110 8.932 1.00 40.42 C ATOM 0 H PHE A1179 -1.382 4.875 10.009 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.180 4.072 12.226 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -1.995 2.587 9.852 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -2.693 1.746 11.222 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -5.136 2.296 11.838 1.00 1.32 H new ATOM 0 HD2 PHE A1179 -3.376 3.391 8.117 1.00 51.03 H new ATOM 0 HE1 PHE A1179 -7.371 2.549 10.857 1.00 71.30 H new ATOM 0 HE2 PHE A1179 -5.610 3.641 7.130 1.00 13.33 H new ATOM 0 HZ PHE A1179 -7.614 3.220 8.500 1.00 40.42 H new ATOM 498 N GLY A1180 -0.162 4.357 12.550 1.00 52.42 N ATOM 499 CA GLY A1180 1.001 4.101 13.384 1.00 4.40 C ATOM 500 C GLY A1180 2.165 3.450 12.649 1.00 41.34 C ATOM 501 O GLY A1180 3.206 3.194 13.258 1.00 12.42 O ATOM 0 H GLY A1180 -0.149 5.255 12.066 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.339 5.043 13.815 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.705 3.459 14.214 1.00 4.40 H new ATOM 505 N GLY A1181 2.004 3.170 11.354 1.00 31.22 N ATOM 506 CA GLY A1181 3.072 2.541 10.598 1.00 64.50 C ATOM 507 C GLY A1181 4.155 3.513 10.172 1.00 12.03 C ATOM 508 O GLY A1181 4.070 4.714 10.441 1.00 23.53 O ATOM 0 H GLY A1181 1.157 3.367 10.820 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.519 1.751 11.201 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.650 2.066 9.712 1.00 64.50 H new ATOM 512 N ARG A1182 5.170 2.985 9.495 1.00 74.12 N ATOM 513 CA ARG A1182 6.285 3.796 9.009 1.00 3.32 C ATOM 514 C ARG A1182 6.148 4.102 7.514 1.00 71.10 C ATOM 515 O ARG A1182 6.833 4.987 6.999 1.00 62.21 O ATOM 516 CB ARG A1182 7.616 3.097 9.290 1.00 0.14 C ATOM 517 CG ARG A1182 8.822 4.021 9.209 1.00 43.10 C ATOM 518 CD ARG A1182 9.815 3.556 8.153 1.00 64.42 C ATOM 519 NE ARG A1182 11.098 3.165 8.738 1.00 41.53 N ATOM 520 CZ ARG A1182 11.353 1.956 9.251 1.00 41.12 C ATOM 521 NH1 ARG A1182 10.418 1.009 9.255 1.00 53.13 N ATOM 522 NH2 ARG A1182 12.552 1.694 9.760 1.00 71.21 N ATOM 0 H ARG A1182 5.245 1.993 9.269 1.00 74.12 H new ATOM 0 HA ARG A1182 6.264 4.744 9.546 1.00 3.32 H new ATOM 0 HB2 ARG A1182 7.579 2.650 10.283 1.00 0.14 H new ATOM 0 HB3 ARG A1182 7.746 2.282 8.578 1.00 0.14 H new ATOM 0 HG2 ARG A1182 8.491 5.033 8.977 1.00 43.10 H new ATOM 0 HG3 ARG A1182 9.315 4.062 10.180 1.00 43.10 H new ATOM 0 HD2 ARG A1182 9.394 2.712 7.607 1.00 64.42 H new ATOM 0 HD3 ARG A1182 9.975 4.356 7.430 1.00 64.42 H new ATOM 0 HE ARG A1182 11.846 3.859 8.756 1.00 41.53 H new ATOM 0 HH11 ARG A1182 9.496 1.201 8.864 1.00 53.13 H new ATOM 0 HH12 ARG A1182 10.624 0.091 9.649 1.00 53.13 H new ATOM 0 HH21 ARG A1182 13.275 2.414 9.759 1.00 71.21 H new ATOM 0 HH22 ARG A1182 12.750 0.773 10.152 1.00 71.21 H new ATOM 536 N ASN A1183 5.269 3.365 6.820 1.00 41.43 N ATOM 537 CA ASN A1183 5.041 3.547 5.387 1.00 51.41 C ATOM 538 C ASN A1183 6.121 2.847 4.567 1.00 55.15 C ATOM 539 O ASN A1183 6.855 3.473 3.800 1.00 54.11 O ATOM 540 CB ASN A1183 4.950 5.036 5.022 1.00 4.35 C ATOM 541 CG ASN A1183 3.842 5.314 4.021 1.00 5.11 C ATOM 542 OD1 ASN A1183 2.661 5.146 4.324 1.00 72.14 O ATOM 543 ND2 ASN A1183 4.217 5.736 2.819 1.00 30.02 N ATOM 0 H ASN A1183 4.700 2.629 7.238 1.00 41.43 H new ATOM 0 HA ASN A1183 4.083 3.087 5.143 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.776 5.620 5.926 1.00 4.35 H new ATOM 0 HB3 ASN A1183 5.903 5.366 4.608 1.00 4.35 H new ATOM 0 HD21 ASN A1183 3.515 5.934 2.106 1.00 30.02 H new ATOM 0 HD22 ASN A1183 5.207 5.862 2.609 1.00 30.02 H new ATOM 550 N ILE A1184 6.191 1.526 4.739 1.00 40.13 N ATOM 551 CA ILE A1184 7.154 0.695 4.029 1.00 12.01 C ATOM 552 C ILE A1184 6.499 -0.002 2.831 1.00 42.13 C ATOM 553 O ILE A1184 7.156 -0.269 1.824 1.00 61.31 O ATOM 554 CB ILE A1184 7.791 -0.354 4.976 1.00 12.40 C ATOM 555 CG1 ILE A1184 9.315 -0.297 4.869 1.00 34.52 C ATOM 556 CG2 ILE A1184 7.288 -1.767 4.683 1.00 50.22 C ATOM 557 CD1 ILE A1184 10.002 -0.109 6.198 1.00 24.03 C ATOM 0 H ILE A1184 5.583 1.007 5.373 1.00 40.13 H new ATOM 0 HA ILE A1184 7.944 1.349 3.660 1.00 12.01 H new ATOM 0 HB ILE A1184 7.491 -0.108 5.995 1.00 12.40 H new ATOM 0 HG12 ILE A1184 9.674 -1.218 4.410 1.00 34.52 H new ATOM 0 HG13 ILE A1184 9.595 0.521 4.205 1.00 34.52 H new ATOM 0 HG21 ILE A1184 7.759 -2.471 5.369 1.00 50.22 H new ATOM 0 HG22 ILE A1184 6.206 -1.803 4.813 1.00 50.22 H new ATOM 0 HG23 ILE A1184 7.539 -2.037 3.657 1.00 50.22 H new ATOM 0 HD11 ILE A1184 11.081 -0.077 6.048 1.00 24.03 H new ATOM 0 HD12 ILE A1184 9.671 0.826 6.650 1.00 24.03 H new ATOM 0 HD13 ILE A1184 9.751 -0.940 6.858 1.00 24.03 H new ATOM 569 N LYS A1185 5.195 -0.287 2.949 1.00 22.13 N ATOM 570 CA LYS A1185 4.445 -0.944 1.886 1.00 41.34 C ATOM 571 C LYS A1185 3.992 0.082 0.855 1.00 65.14 C ATOM 572 O LYS A1185 4.157 -0.110 -0.351 1.00 73.52 O ATOM 573 CB LYS A1185 3.234 -1.693 2.462 1.00 2.33 C ATOM 574 CG LYS A1185 3.098 -3.127 1.965 1.00 2.30 C ATOM 575 CD LYS A1185 3.060 -4.124 3.119 1.00 72.33 C ATOM 576 CE LYS A1185 1.719 -4.844 3.209 1.00 71.00 C ATOM 577 NZ LYS A1185 1.425 -5.643 1.986 1.00 23.33 N ATOM 0 H LYS A1185 4.641 -0.069 3.777 1.00 22.13 H new ATOM 0 HA LYS A1185 5.096 -1.670 1.399 1.00 41.34 H new ATOM 0 HB2 LYS A1185 3.309 -1.702 3.549 1.00 2.33 H new ATOM 0 HB3 LYS A1185 2.327 -1.144 2.209 1.00 2.33 H new ATOM 0 HG2 LYS A1185 2.188 -3.222 1.372 1.00 2.30 H new ATOM 0 HG3 LYS A1185 3.934 -3.365 1.306 1.00 2.30 H new ATOM 0 HD2 LYS A1185 3.857 -4.857 2.991 1.00 72.33 H new ATOM 0 HD3 LYS A1185 3.254 -3.602 4.056 1.00 72.33 H new ATOM 0 HE2 LYS A1185 1.719 -5.501 4.079 1.00 71.00 H new ATOM 0 HE3 LYS A1185 0.926 -4.113 3.362 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 0.489 -5.380 1.616 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 2.149 -5.451 1.264 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 1.432 -6.656 2.223 1.00 23.33 H new ATOM 591 N LYS A1186 3.434 1.185 1.356 1.00 53.34 N ATOM 592 CA LYS A1186 2.958 2.282 0.522 1.00 34.15 C ATOM 593 C LYS A1186 1.972 1.790 -0.540 1.00 12.40 C ATOM 594 O LYS A1186 2.182 1.987 -1.735 1.00 50.03 O ATOM 595 CB LYS A1186 4.140 3.004 -0.137 1.00 44.31 C ATOM 596 CG LYS A1186 5.307 3.263 0.808 1.00 44.13 C ATOM 597 CD LYS A1186 6.615 3.435 0.052 1.00 34.02 C ATOM 598 CE LYS A1186 7.145 2.104 -0.461 1.00 63.44 C ATOM 599 NZ LYS A1186 8.607 1.953 -0.224 1.00 13.23 N ATOM 0 H LYS A1186 3.300 1.340 2.355 1.00 53.34 H new ATOM 0 HA LYS A1186 2.430 2.986 1.165 1.00 34.15 H new ATOM 0 HB2 LYS A1186 4.492 2.410 -0.980 1.00 44.31 H new ATOM 0 HB3 LYS A1186 3.793 3.955 -0.540 1.00 44.31 H new ATOM 0 HG2 LYS A1186 5.107 4.158 1.397 1.00 44.13 H new ATOM 0 HG3 LYS A1186 5.398 2.434 1.509 1.00 44.13 H new ATOM 0 HD2 LYS A1186 6.464 4.115 -0.787 1.00 34.02 H new ATOM 0 HD3 LYS A1186 7.356 3.895 0.706 1.00 34.02 H new ATOM 0 HE2 LYS A1186 6.613 1.289 0.030 1.00 63.44 H new ATOM 0 HE3 LYS A1186 6.941 2.021 -1.528 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 8.925 1.032 -0.589 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 9.119 2.715 -0.713 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 8.801 2.006 0.796 1.00 13.23 H new ATOM 613 N GLN A1187 0.899 1.144 -0.096 1.00 50.40 N ATOM 614 CA GLN A1187 -0.108 0.617 -1.015 1.00 53.33 C ATOM 615 C GLN A1187 -1.523 0.883 -0.511 1.00 74.03 C ATOM 616 O GLN A1187 -1.722 1.343 0.616 1.00 12.15 O ATOM 617 CB GLN A1187 0.104 -0.887 -1.220 1.00 3.24 C ATOM 618 CG GLN A1187 0.829 -1.228 -2.511 1.00 52.22 C ATOM 619 CD GLN A1187 -0.109 -1.327 -3.701 1.00 55.31 C ATOM 620 OE1 GLN A1187 -0.842 -0.386 -4.009 1.00 35.23 O ATOM 621 NE2 GLN A1187 -0.094 -2.471 -4.377 1.00 25.41 N ATOM 0 H GLN A1187 0.703 0.972 0.890 1.00 50.40 H new ATOM 0 HA GLN A1187 0.008 1.133 -1.968 1.00 53.33 H new ATOM 0 HB2 GLN A1187 0.672 -1.284 -0.378 1.00 3.24 H new ATOM 0 HB3 GLN A1187 -0.865 -1.386 -1.214 1.00 3.24 H new ATOM 0 HG2 GLN A1187 1.584 -0.467 -2.711 1.00 52.22 H new ATOM 0 HG3 GLN A1187 1.355 -2.175 -2.388 1.00 52.22 H new ATOM 0 HE21 GLN A1187 0.529 -3.226 -4.088 1.00 25.41 H new ATOM 0 HE22 GLN A1187 -0.705 -2.594 -5.184 1.00 25.41 H new ATOM 630 N CYS A1188 -2.504 0.605 -1.372 1.00 24.13 N ATOM 631 CA CYS A1188 -3.913 0.827 -1.056 1.00 3.24 C ATOM 632 C CYS A1188 -4.475 -0.251 -0.131 1.00 43.41 C ATOM 633 O CYS A1188 -4.018 -1.395 -0.138 1.00 40.23 O ATOM 634 CB CYS A1188 -4.743 0.904 -2.340 1.00 43.51 C ATOM 635 SG CYS A1188 -5.600 2.479 -2.573 1.00 5.43 S ATOM 0 H CYS A1188 -2.343 0.221 -2.303 1.00 24.13 H new ATOM 0 HA CYS A1188 -3.977 1.778 -0.527 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -4.088 0.729 -3.194 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -5.479 0.100 -2.333 1.00 43.51 H new ATOM 0 HG CYS A1188 -6.272 2.447 -3.686 1.00 5.43 H new ATOM 641 N CYS A1189 -5.488 0.132 0.643 1.00 75.03 N ATOM 642 CA CYS A1189 -6.154 -0.789 1.566 1.00 5.21 C ATOM 643 C CYS A1189 -6.537 -2.097 0.864 1.00 3.23 C ATOM 644 O CYS A1189 -7.065 -2.088 -0.249 1.00 42.41 O ATOM 645 CB CYS A1189 -7.401 -0.129 2.155 1.00 1.22 C ATOM 646 SG CYS A1189 -8.361 -1.205 3.240 1.00 22.22 S ATOM 0 H CYS A1189 -5.868 1.078 0.650 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.456 -1.026 2.369 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -7.100 0.757 2.713 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -8.040 0.210 1.339 1.00 1.22 H new ATOM 0 HG CYS A1189 -9.616 -0.869 3.185 1.00 22.22 H new ATOM 651 N LYS A1190 -6.273 -3.219 1.543 1.00 63.32 N ATOM 652 CA LYS A1190 -6.588 -4.556 1.029 1.00 34.02 C ATOM 653 C LYS A1190 -8.090 -4.720 0.766 1.00 55.43 C ATOM 654 O LYS A1190 -8.494 -5.456 -0.134 1.00 3.24 O ATOM 655 CB LYS A1190 -6.122 -5.616 2.029 1.00 42.40 C ATOM 656 CG LYS A1190 -4.617 -5.627 2.236 1.00 41.11 C ATOM 657 CD LYS A1190 -4.044 -7.015 2.023 1.00 65.13 C ATOM 658 CE LYS A1190 -2.557 -6.965 1.703 1.00 71.24 C ATOM 659 NZ LYS A1190 -2.295 -6.507 0.309 1.00 34.12 N ATOM 0 H LYS A1190 -5.835 -3.225 2.464 1.00 63.32 H new ATOM 0 HA LYS A1190 -6.064 -4.683 0.081 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -6.612 -5.442 2.987 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -6.441 -6.599 1.681 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -4.147 -4.927 1.545 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -4.383 -5.285 3.244 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -4.204 -7.616 2.918 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -4.575 -7.508 1.209 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -2.059 -6.294 2.403 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -2.123 -7.955 1.846 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -1.287 -6.633 0.086 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -2.869 -7.066 -0.354 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -2.546 -5.502 0.221 1.00 34.12 H new ATOM 673 N MET A1191 -8.904 -4.011 1.552 1.00 51.35 N ATOM 674 CA MET A1191 -10.361 -4.047 1.415 1.00 43.31 C ATOM 675 C MET A1191 -10.837 -3.113 0.303 1.00 42.42 C ATOM 676 O MET A1191 -11.969 -3.233 -0.170 1.00 52.24 O ATOM 677 CB MET A1191 -11.025 -3.654 2.740 1.00 14.25 C ATOM 678 CG MET A1191 -11.437 -4.843 3.591 1.00 23.42 C ATOM 679 SD MET A1191 -12.951 -4.539 4.523 1.00 75.10 S ATOM 680 CE MET A1191 -14.189 -4.796 3.254 1.00 20.12 C ATOM 0 H MET A1191 -8.573 -3.399 2.298 1.00 51.35 H new ATOM 0 HA MET A1191 -10.647 -5.065 1.152 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.337 -3.031 3.311 1.00 14.25 H new ATOM 0 HB3 MET A1191 -11.905 -3.046 2.529 1.00 14.25 H new ATOM 0 HG2 MET A1191 -11.578 -5.713 2.949 1.00 23.42 H new ATOM 0 HG3 MET A1191 -10.631 -5.086 4.284 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.891 -3.962 3.256 1.00 20.12 H new ATOM 0 HE2 MET A1191 -13.704 -4.859 2.280 1.00 20.12 H new ATOM 0 HE3 MET A1191 -14.727 -5.723 3.453 1.00 20.12 H new ATOM 690 N ARG A1192 -9.979 -2.178 -0.105 1.00 70.22 N ATOM 691 CA ARG A1192 -10.328 -1.222 -1.149 1.00 25.23 C ATOM 692 C ARG A1192 -9.645 -1.533 -2.486 1.00 34.10 C ATOM 693 O ARG A1192 -9.785 -0.765 -3.441 1.00 21.31 O ATOM 694 CB ARG A1192 -9.961 0.196 -0.703 1.00 33.42 C ATOM 695 CG ARG A1192 -10.680 0.643 0.561 1.00 44.45 C ATOM 696 CD ARG A1192 -10.168 1.992 1.047 1.00 14.13 C ATOM 697 NE ARG A1192 -11.039 3.092 0.631 1.00 74.11 N ATOM 698 CZ ARG A1192 -10.887 3.787 -0.501 1.00 43.31 C ATOM 699 NH1 ARG A1192 -9.889 3.513 -1.338 1.00 72.34 N ATOM 700 NH2 ARG A1192 -11.737 4.765 -0.796 1.00 41.14 N ATOM 0 H ARG A1192 -9.038 -2.064 0.273 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.404 -1.301 -1.306 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -8.885 0.248 -0.537 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -10.193 0.893 -1.509 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -11.751 0.707 0.368 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -10.541 -0.103 1.343 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -10.093 1.981 2.134 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -9.163 2.159 0.660 1.00 14.13 H new ATOM 0 HE ARG A1192 -11.813 3.345 1.245 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -9.230 2.766 -1.119 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -9.783 4.050 -2.199 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -12.503 4.984 -0.159 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -11.623 5.297 -1.659 1.00 41.14 H new ATOM 714 N LYS A1193 -8.917 -2.657 -2.568 1.00 12.22 N ATOM 715 CA LYS A1193 -8.237 -3.041 -3.806 1.00 53.34 C ATOM 716 C LYS A1193 -9.244 -3.329 -4.916 1.00 23.33 C ATOM 717 O LYS A1193 -10.071 -4.236 -4.807 1.00 10.03 O ATOM 718 CB LYS A1193 -7.346 -4.264 -3.573 1.00 52.02 C ATOM 719 CG LYS A1193 -5.960 -3.919 -3.050 1.00 53.24 C ATOM 720 CD LYS A1193 -5.098 -3.281 -4.129 1.00 44.42 C ATOM 721 CE LYS A1193 -3.617 -3.397 -3.798 1.00 34.02 C ATOM 722 NZ LYS A1193 -3.161 -2.312 -2.884 1.00 62.42 N ATOM 0 H LYS A1193 -8.787 -3.310 -1.795 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.611 -2.205 -4.118 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -7.837 -4.931 -2.864 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -7.245 -4.813 -4.509 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -6.049 -3.237 -2.204 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -5.474 -4.822 -2.682 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -5.297 -3.761 -5.087 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -5.367 -2.230 -4.237 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -3.424 -4.365 -3.336 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -3.036 -3.362 -4.720 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -2.212 -2.538 -2.524 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -3.129 -1.411 -3.403 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -3.823 -2.229 -2.087 1.00 62.42 H new ATOM 736 N CYS A1194 -9.153 -2.545 -5.987 1.00 72.22 N ATOM 737 CA CYS A1194 -10.032 -2.693 -7.138 1.00 10.42 C ATOM 738 C CYS A1194 -9.820 -4.045 -7.829 1.00 55.20 C ATOM 739 O CYS A1194 -8.687 -4.459 -8.080 1.00 0.11 O ATOM 740 CB CYS A1194 -9.777 -1.551 -8.122 1.00 74.32 C ATOM 741 SG CYS A1194 -10.663 -1.707 -9.684 1.00 0.41 S ATOM 0 H CYS A1194 -8.470 -1.793 -6.079 1.00 72.22 H new ATOM 0 HA CYS A1194 -11.065 -2.655 -6.793 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -10.059 -0.610 -7.650 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.708 -1.496 -8.328 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.904 -2.016 -9.450 1.00 0.41 H new ATOM 746 N GLN A1195 -10.929 -4.721 -8.122 1.00 50.31 N ATOM 747 CA GLN A1195 -10.915 -6.034 -8.778 1.00 20.22 C ATOM 748 C GLN A1195 -10.890 -5.920 -10.313 1.00 15.11 C ATOM 749 O GLN A1195 -10.642 -6.908 -11.007 1.00 43.24 O ATOM 750 CB GLN A1195 -12.137 -6.848 -8.336 1.00 45.21 C ATOM 751 CG GLN A1195 -12.104 -8.304 -8.780 1.00 43.13 C ATOM 752 CD GLN A1195 -13.149 -8.618 -9.835 1.00 50.42 C ATOM 753 OE1 GLN A1195 -12.821 -8.857 -10.997 1.00 71.33 O ATOM 754 NE2 GLN A1195 -14.417 -8.617 -9.436 1.00 42.22 N ATOM 0 H GLN A1195 -11.866 -4.376 -7.912 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.999 -6.541 -8.474 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -12.211 -6.812 -7.249 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -13.037 -6.378 -8.733 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -11.115 -8.537 -9.174 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -12.263 -8.947 -7.914 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -14.645 -8.414 -8.463 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -15.162 -8.820 -10.103 1.00 42.22 H new ATOM 763 N ASN A1196 -11.135 -4.715 -10.835 1.00 31.31 N ATOM 764 CA ASN A1196 -11.132 -4.470 -12.278 1.00 53.34 C ATOM 765 C ASN A1196 -10.409 -3.156 -12.565 1.00 64.12 C ATOM 766 O ASN A1196 -10.963 -2.228 -13.158 1.00 45.42 O ATOM 767 CB ASN A1196 -12.565 -4.428 -12.820 1.00 22.42 C ATOM 768 CG ASN A1196 -13.302 -5.740 -12.617 1.00 75.25 C ATOM 769 OD1 ASN A1196 -13.132 -6.685 -13.386 1.00 22.25 O ATOM 770 ND2 ASN A1196 -14.126 -5.805 -11.575 1.00 70.22 N ATOM 0 H ASN A1196 -11.339 -3.888 -10.274 1.00 31.31 H new ATOM 0 HA ASN A1196 -10.608 -5.284 -12.780 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -13.114 -3.626 -12.325 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -12.541 -4.189 -13.883 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -14.646 -6.662 -11.389 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -14.238 -4.997 -10.962 1.00 70.22 H new ATOM 777 N LEU A1197 -9.168 -3.093 -12.098 1.00 41.12 N ATOM 778 CA LEU A1197 -8.323 -1.911 -12.238 1.00 72.14 C ATOM 779 C LEU A1197 -8.010 -1.555 -13.685 1.00 40.01 C ATOM 780 O LEU A1197 -7.736 -2.432 -14.507 1.00 52.43 O ATOM 781 CB LEU A1197 -7.001 -2.145 -11.508 1.00 60.33 C ATOM 782 CG LEU A1197 -6.830 -1.421 -10.176 1.00 11.12 C ATOM 783 CD1 LEU A1197 -5.357 -1.343 -9.822 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.435 -0.024 -10.228 1.00 53.11 C ATOM 0 H LEU A1197 -8.716 -3.865 -11.608 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.883 -1.080 -11.809 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.891 -3.215 -11.333 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -6.187 -1.845 -12.168 1.00 60.33 H new ATOM 0 HG LEU A1197 -7.357 -1.985 -9.407 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -5.238 -0.825 -8.870 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -4.949 -2.350 -9.741 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.824 -0.797 -10.601 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -7.298 0.468 -9.265 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.941 0.558 -11.006 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.500 -0.097 -10.450 1.00 53.11 H new