USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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: A 177 GLN : amide:sc= -3.61 K(o=-3.8,f=-6.2!) USER MOD Set 1.2: A 212 HIS : no HD1:sc= -0.18 K(o=-3.8,f=-4.5) USER MOD Set 2.1: A 159 LYS NZ :NH3+ -162:sc= 0.429 (180deg=0.282) USER MOD Set 2.2: A 164 TYR OH : rot 180:sc= -1.16 USER MOD Set 3.1: A 155 CYS SG : rot -148:sc= -1.04 USER MOD Set 3.2: A 191 SER OG : rot -110:sc= -0.262 USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 178:sc= -7.76! (180deg=-7.95!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 167 ASN : amide:sc= -3.2! C(o=-3.2!,f=-4.1!) USER MOD Single : A 169 HIS :FLIP no HD1:sc= -1.49 F(o=-4.1!,f=-1.5) USER MOD Single : A 170 SER OG : rot 85:sc= 0.176 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.111) USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot -109:sc= -3.11 USER MOD Single : A 196 GLN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 203 ASN : amide:sc= -0.5 X(o=-0.5,f=-1) USER MOD Single : A 206 CYS SG : rot 180:sc= -0.974 USER MOD Single : A 207 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 210 LYS NZ :NH3+ -172:sc= -3.09! (180deg=-3.51!) USER MOD Single : A 211 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.3!) USER MOD Single : A 217 SER OG : rot 87:sc= 0.959 USER MOD Single : A 226 THR OG1 : rot -137:sc= -0.271 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 151 11.959 -1.936 3.694 1.00 0.00 N ATOM 126 CA ARG A 151 11.026 -2.033 4.819 1.00 0.00 C ATOM 127 C ARG A 151 9.655 -1.473 4.439 1.00 0.00 C ATOM 128 O ARG A 151 9.560 -0.515 3.671 1.00 0.00 O ATOM 129 CB ARG A 151 11.562 -1.306 6.061 1.00 0.00 C ATOM 130 CG ARG A 151 11.355 0.203 6.047 1.00 0.00 C ATOM 131 CD ARG A 151 11.428 0.782 7.452 1.00 0.00 C ATOM 132 NE ARG A 151 10.275 0.400 8.263 1.00 0.00 N ATOM 133 CZ ARG A 151 9.093 1.008 8.203 1.00 0.00 C ATOM 134 NH1 ARG A 151 8.901 2.021 7.367 1.00 0.00 N ATOM 135 NH2 ARG A 151 8.100 0.601 8.981 1.00 0.00 N ATOM 0 HA ARG A 151 10.922 -3.091 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 151 11.077 -1.719 6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 151 12.628 -1.513 6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 151 12.113 0.671 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 151 10.386 0.436 5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 151 12.342 0.440 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 151 11.486 1.869 7.393 1.00 0.00 H new ATOM 0 HE ARG A 151 10.382 -0.378 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 151 9.662 2.337 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 151 7.993 2.483 7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 151 8.243 -0.177 9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 151 7.193 1.066 8.936 1.00 0.00 H new ATOM 149 N PRO A 152 8.572 -2.060 4.974 1.00 0.00 N ATOM 150 CA PRO A 152 7.211 -1.607 4.686 1.00 0.00 C ATOM 151 C PRO A 152 6.863 -0.323 5.429 1.00 0.00 C ATOM 152 O PRO A 152 7.189 -0.166 6.606 1.00 0.00 O ATOM 153 CB PRO A 152 6.345 -2.761 5.182 1.00 0.00 C ATOM 154 CG PRO A 152 7.138 -3.375 6.283 1.00 0.00 C ATOM 155 CD PRO A 152 8.587 -3.207 5.903 1.00 0.00 C ATOM 0 HA PRO A 152 7.071 -1.374 3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 152 5.378 -2.407 5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 152 6.147 -3.480 4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 152 6.926 -2.887 7.234 1.00 0.00 H new ATOM 0 HG3 PRO A 152 6.887 -4.429 6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 152 9.210 -3.008 6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 152 8.983 -4.104 5.426 1.00 0.00 H new ATOM 163 N ARG A 153 6.198 0.591 4.735 1.00 0.00 N ATOM 164 CA ARG A 153 5.801 1.862 5.328 1.00 0.00 C ATOM 165 C ARG A 153 4.385 1.780 5.885 1.00 0.00 C ATOM 166 O ARG A 153 3.499 1.185 5.271 1.00 0.00 O ATOM 167 CB ARG A 153 5.889 2.985 4.294 1.00 0.00 C ATOM 168 CG ARG A 153 7.314 3.353 3.913 1.00 0.00 C ATOM 169 CD ARG A 153 7.389 4.741 3.295 1.00 0.00 C ATOM 170 NE ARG A 153 7.998 4.717 1.967 1.00 0.00 N ATOM 171 CZ ARG A 153 7.351 4.353 0.862 1.00 0.00 C ATOM 172 NH1 ARG A 153 6.078 3.984 0.920 1.00 0.00 N ATOM 173 NH2 ARG A 153 7.980 4.359 -0.305 1.00 0.00 N ATOM 0 H ARG A 153 5.922 0.476 3.760 1.00 0.00 H new ATOM 0 HA ARG A 153 6.486 2.081 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 153 5.348 2.684 3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 153 5.387 3.869 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 153 7.949 3.314 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 153 7.704 2.619 3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 153 6.386 5.162 3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 153 7.966 5.397 3.947 1.00 0.00 H new ATOM 0 HE ARG A 153 8.976 4.995 1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 153 5.589 3.978 1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 153 5.588 3.706 0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 153 8.959 4.642 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 153 7.485 4.080 -1.152 1.00 0.00 H new ATOM 187 N LEU A 154 4.180 2.379 7.051 1.00 0.00 N ATOM 188 CA LEU A 154 2.871 2.373 7.693 1.00 0.00 C ATOM 189 C LEU A 154 2.023 3.544 7.209 1.00 0.00 C ATOM 190 O LEU A 154 2.424 4.702 7.321 1.00 0.00 O ATOM 191 CB LEU A 154 3.027 2.434 9.214 1.00 0.00 C ATOM 192 CG LEU A 154 1.715 2.504 9.997 1.00 0.00 C ATOM 193 CD1 LEU A 154 1.090 1.123 10.116 1.00 0.00 C ATOM 194 CD2 LEU A 154 1.949 3.107 11.374 1.00 0.00 C ATOM 0 H LEU A 154 4.903 2.875 7.572 1.00 0.00 H new ATOM 0 HA LEU A 154 2.365 1.446 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.582 1.555 9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.631 3.306 9.467 1.00 0.00 H new ATOM 0 HG LEU A 154 1.023 3.147 9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 154 0.158 1.193 10.676 1.00 0.00 H new ATOM 0 HD12 LEU A 154 0.887 0.729 9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.777 0.456 10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.005 3.149 11.918 1.00 0.00 H new ATOM 0 HD22 LEU A 154 2.658 2.490 11.926 1.00 0.00 H new ATOM 0 HD23 LEU A 154 2.351 4.114 11.267 1.00 0.00 H new ATOM 206 N CYS A 155 0.850 3.234 6.667 1.00 0.00 N ATOM 207 CA CYS A 155 -0.054 4.261 6.163 1.00 0.00 C ATOM 208 C CYS A 155 -1.411 4.180 6.855 1.00 0.00 C ATOM 209 O CYS A 155 -2.037 3.121 6.897 1.00 0.00 O ATOM 210 CB CYS A 155 -0.228 4.118 4.650 1.00 0.00 C ATOM 211 SG CYS A 155 -1.343 5.336 3.913 1.00 0.00 S ATOM 0 H CYS A 155 0.503 2.280 6.566 1.00 0.00 H new ATOM 0 HA CYS A 155 0.385 5.235 6.380 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.749 4.202 4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -0.605 3.119 4.432 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.952 4.806 2.894 1.00 0.00 H new ATOM 217 N THR A 156 -1.860 5.308 7.392 1.00 0.00 N ATOM 218 CA THR A 156 -3.144 5.374 8.080 1.00 0.00 C ATOM 219 C THR A 156 -3.997 6.501 7.511 1.00 0.00 C ATOM 220 O THR A 156 -3.761 7.675 7.796 1.00 0.00 O ATOM 221 CB THR A 156 -2.935 5.590 9.579 1.00 0.00 C ATOM 222 OG1 THR A 156 -1.839 4.826 10.048 1.00 0.00 O ATOM 223 CG2 THR A 156 -4.143 5.220 10.412 1.00 0.00 C ATOM 0 H THR A 156 -1.352 6.192 7.364 1.00 0.00 H new ATOM 0 HA THR A 156 -3.662 4.427 7.927 1.00 0.00 H new ATOM 0 HB THR A 156 -2.749 6.658 9.693 1.00 0.00 H new ATOM 0 HG1 THR A 156 -1.721 4.979 11.009 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.927 5.397 11.465 1.00 0.00 H new ATOM 0 HG22 THR A 156 -4.994 5.829 10.109 1.00 0.00 H new ATOM 0 HG23 THR A 156 -4.379 4.166 10.263 1.00 0.00 H new ATOM 231 N MET A 157 -4.984 6.140 6.700 1.00 0.00 N ATOM 232 CA MET A 157 -5.863 7.128 6.089 1.00 0.00 C ATOM 233 C MET A 157 -7.270 7.048 6.667 1.00 0.00 C ATOM 234 O MET A 157 -7.762 5.967 6.992 1.00 0.00 O ATOM 235 CB MET A 157 -5.912 6.925 4.576 1.00 0.00 C ATOM 236 CG MET A 157 -6.545 5.607 4.161 1.00 0.00 C ATOM 237 SD MET A 157 -6.092 5.115 2.488 1.00 0.00 S ATOM 238 CE MET A 157 -5.883 3.351 2.707 1.00 0.00 C ATOM 0 H MET A 157 -5.195 5.174 6.451 1.00 0.00 H new ATOM 0 HA MET A 157 -5.460 8.117 6.308 1.00 0.00 H new ATOM 0 HB2 MET A 157 -6.471 7.745 4.125 1.00 0.00 H new ATOM 0 HB3 MET A 157 -4.898 6.973 4.178 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.242 4.827 4.859 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.630 5.692 4.229 1.00 0.00 H new ATOM 0 HE1 MET A 157 -5.635 2.892 1.750 1.00 0.00 H new ATOM 0 HE2 MET A 157 -5.078 3.165 3.418 1.00 0.00 H new ATOM 0 HE3 MET A 157 -6.809 2.919 3.087 1.00 0.00 H new ATOM 248 N LYS A 158 -7.914 8.202 6.785 1.00 0.00 N ATOM 249 CA LYS A 158 -9.269 8.273 7.317 1.00 0.00 C ATOM 250 C LYS A 158 -10.276 8.496 6.192 1.00 0.00 C ATOM 251 O LYS A 158 -10.217 9.501 5.483 1.00 0.00 O ATOM 252 CB LYS A 158 -9.378 9.397 8.349 1.00 0.00 C ATOM 253 CG LYS A 158 -8.771 9.045 9.698 1.00 0.00 C ATOM 254 CD LYS A 158 -9.044 10.126 10.731 1.00 0.00 C ATOM 255 CE LYS A 158 -7.825 10.386 11.602 1.00 0.00 C ATOM 256 NZ LYS A 158 -7.572 9.269 12.554 1.00 0.00 N ATOM 0 H LYS A 158 -7.519 9.104 6.519 1.00 0.00 H new ATOM 0 HA LYS A 158 -9.495 7.325 7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -8.884 10.287 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -10.429 9.651 8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -9.180 8.096 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.695 8.908 9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -9.335 11.047 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -9.884 9.827 11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.950 10.527 10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -7.968 11.312 12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -6.733 9.486 13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -8.397 9.150 13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -7.410 8.390 12.023 1.00 0.00 H new ATOM 270 N LYS A 159 -11.199 7.551 6.034 1.00 0.00 N ATOM 271 CA LYS A 159 -12.222 7.636 4.995 1.00 0.00 C ATOM 272 C LYS A 159 -12.881 9.014 4.982 1.00 0.00 C ATOM 273 O LYS A 159 -12.573 9.851 4.134 1.00 0.00 O ATOM 274 CB LYS A 159 -13.273 6.538 5.212 1.00 0.00 C ATOM 275 CG LYS A 159 -14.564 6.728 4.423 1.00 0.00 C ATOM 276 CD LYS A 159 -14.409 6.277 2.980 1.00 0.00 C ATOM 277 CE LYS A 159 -15.136 4.968 2.723 1.00 0.00 C ATOM 278 NZ LYS A 159 -15.250 4.672 1.268 1.00 0.00 N ATOM 0 H LYS A 159 -11.260 6.714 6.614 1.00 0.00 H new ATOM 0 HA LYS A 159 -11.745 7.488 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -12.836 5.577 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -13.515 6.491 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -15.367 6.164 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -14.855 7.778 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -14.798 7.047 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -13.351 6.158 2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -14.605 4.155 3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -16.132 5.014 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -15.993 3.960 1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -15.495 5.543 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -14.342 4.306 0.916 1.00 0.00 H new ATOM 292 N GLY A 160 -13.793 9.238 5.921 1.00 0.00 N ATOM 293 CA GLY A 160 -14.481 10.511 5.991 1.00 0.00 C ATOM 294 C GLY A 160 -15.274 10.805 4.731 1.00 0.00 C ATOM 295 O GLY A 160 -15.593 9.891 3.970 1.00 0.00 O ATOM 0 H GLY A 160 -14.067 8.561 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -15.153 10.512 6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -13.754 11.306 6.154 1.00 0.00 H new ATOM 299 N PRO A 161 -15.611 12.081 4.481 1.00 0.00 N ATOM 300 CA PRO A 161 -16.376 12.477 3.297 1.00 0.00 C ATOM 301 C PRO A 161 -15.517 12.568 2.037 1.00 0.00 C ATOM 302 O PRO A 161 -16.015 12.901 0.962 1.00 0.00 O ATOM 303 CB PRO A 161 -16.902 13.858 3.682 1.00 0.00 C ATOM 304 CG PRO A 161 -15.860 14.413 4.590 1.00 0.00 C ATOM 305 CD PRO A 161 -15.277 13.239 5.334 1.00 0.00 C ATOM 0 HA PRO A 161 -17.151 11.751 3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -17.041 14.489 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -17.868 13.790 4.181 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -15.089 14.936 4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -16.292 15.136 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -14.200 13.343 5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -15.710 13.141 6.329 1.00 0.00 H new ATOM 313 N SER A 162 -14.223 12.281 2.172 1.00 0.00 N ATOM 314 CA SER A 162 -13.309 12.345 1.036 1.00 0.00 C ATOM 315 C SER A 162 -12.960 10.953 0.515 1.00 0.00 C ATOM 316 O SER A 162 -12.692 10.779 -0.673 1.00 0.00 O ATOM 317 CB SER A 162 -12.030 13.086 1.429 1.00 0.00 C ATOM 318 OG SER A 162 -11.276 12.339 2.368 1.00 0.00 O ATOM 0 H SER A 162 -13.787 12.004 3.052 1.00 0.00 H new ATOM 0 HA SER A 162 -13.814 12.888 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 162 -11.427 13.274 0.541 1.00 0.00 H new ATOM 0 HB3 SER A 162 -12.284 14.058 1.853 1.00 0.00 H new ATOM 0 HG SER A 162 -10.463 12.833 2.602 1.00 0.00 H new ATOM 324 N GLY A 163 -12.955 9.966 1.406 1.00 0.00 N ATOM 325 CA GLY A 163 -12.626 8.613 1.005 1.00 0.00 C ATOM 326 C GLY A 163 -11.154 8.307 1.188 1.00 0.00 C ATOM 327 O GLY A 163 -10.549 8.720 2.177 1.00 0.00 O ATOM 0 H GLY A 163 -13.173 10.080 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -13.218 7.908 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -12.899 8.469 -0.040 1.00 0.00 H new ATOM 331 N TYR A 164 -10.575 7.584 0.237 1.00 0.00 N ATOM 332 CA TYR A 164 -9.162 7.232 0.304 1.00 0.00 C ATOM 333 C TYR A 164 -8.368 7.977 -0.764 1.00 0.00 C ATOM 334 O TYR A 164 -7.320 8.558 -0.483 1.00 0.00 O ATOM 335 CB TYR A 164 -8.979 5.725 0.138 1.00 0.00 C ATOM 336 CG TYR A 164 -10.029 4.903 0.853 1.00 0.00 C ATOM 337 CD1 TYR A 164 -9.969 4.708 2.227 1.00 0.00 C ATOM 338 CD2 TYR A 164 -11.082 4.326 0.153 1.00 0.00 C ATOM 339 CE1 TYR A 164 -10.927 3.961 2.883 1.00 0.00 C ATOM 340 CE2 TYR A 164 -12.044 3.577 0.803 1.00 0.00 C ATOM 341 CZ TYR A 164 -11.963 3.397 2.167 1.00 0.00 C ATOM 342 OH TYR A 164 -12.920 2.652 2.818 1.00 0.00 O ATOM 0 H TYR A 164 -11.061 7.231 -0.588 1.00 0.00 H new ATOM 0 HA TYR A 164 -8.785 7.526 1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -8.999 5.480 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -7.994 5.444 0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -9.160 5.148 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -11.149 4.465 -0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -10.866 3.819 3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -12.856 3.135 0.245 1.00 0.00 H new ATOM 0 HH TYR A 164 -13.579 2.327 2.169 1.00 0.00 H new ATOM 352 N GLY A 165 -8.884 7.963 -1.988 1.00 0.00 N ATOM 353 CA GLY A 165 -8.222 8.649 -3.084 1.00 0.00 C ATOM 354 C GLY A 165 -7.116 7.834 -3.734 1.00 0.00 C ATOM 355 O GLY A 165 -6.205 8.398 -4.338 1.00 0.00 O ATOM 0 H GLY A 165 -9.750 7.488 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -8.963 8.908 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -7.803 9.585 -2.715 1.00 0.00 H new ATOM 359 N PHE A 166 -7.186 6.511 -3.618 1.00 0.00 N ATOM 360 CA PHE A 166 -6.167 5.645 -4.214 1.00 0.00 C ATOM 361 C PHE A 166 -6.780 4.607 -5.145 1.00 0.00 C ATOM 362 O PHE A 166 -7.998 4.454 -5.215 1.00 0.00 O ATOM 363 CB PHE A 166 -5.360 4.928 -3.130 1.00 0.00 C ATOM 364 CG PHE A 166 -6.169 3.958 -2.312 1.00 0.00 C ATOM 365 CD1 PHE A 166 -6.621 2.771 -2.867 1.00 0.00 C ATOM 366 CD2 PHE A 166 -6.477 4.232 -0.991 1.00 0.00 C ATOM 367 CE1 PHE A 166 -7.365 1.878 -2.120 1.00 0.00 C ATOM 368 CE2 PHE A 166 -7.221 3.341 -0.239 1.00 0.00 C ATOM 369 CZ PHE A 166 -7.665 2.163 -0.805 1.00 0.00 C ATOM 0 H PHE A 166 -7.928 6.017 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 166 -5.508 6.290 -4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -4.534 4.393 -3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -4.921 5.672 -2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -6.389 2.541 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -6.133 5.152 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -7.711 0.957 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -7.455 3.567 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 166 -8.246 1.466 -0.219 1.00 0.00 H new ATOM 379 N ASN A 167 -5.906 3.881 -5.837 1.00 0.00 N ATOM 380 CA ASN A 167 -6.321 2.825 -6.759 1.00 0.00 C ATOM 381 C ASN A 167 -5.411 1.607 -6.601 1.00 0.00 C ATOM 382 O ASN A 167 -4.252 1.739 -6.208 1.00 0.00 O ATOM 383 CB ASN A 167 -6.275 3.318 -8.211 1.00 0.00 C ATOM 384 CG ASN A 167 -7.243 4.452 -8.512 1.00 0.00 C ATOM 385 OD1 ASN A 167 -7.069 5.182 -9.487 1.00 0.00 O ATOM 386 ND2 ASN A 167 -8.271 4.600 -7.691 1.00 0.00 N ATOM 0 H ASN A 167 -4.896 4.006 -5.776 1.00 0.00 H new ATOM 0 HA ASN A 167 -7.347 2.546 -6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -5.262 3.649 -8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -6.494 2.482 -8.875 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -8.953 5.340 -7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -8.381 3.974 -6.893 1.00 0.00 H new ATOM 393 N LEU A 168 -5.939 0.425 -6.903 1.00 0.00 N ATOM 394 CA LEU A 168 -5.164 -0.811 -6.782 1.00 0.00 C ATOM 395 C LEU A 168 -5.233 -1.664 -8.046 1.00 0.00 C ATOM 396 O LEU A 168 -6.259 -1.718 -8.725 1.00 0.00 O ATOM 397 CB LEU A 168 -5.655 -1.641 -5.591 1.00 0.00 C ATOM 398 CG LEU A 168 -5.127 -1.213 -4.219 1.00 0.00 C ATOM 399 CD1 LEU A 168 -3.633 -1.482 -4.113 1.00 0.00 C ATOM 400 CD2 LEU A 168 -5.428 0.252 -3.955 1.00 0.00 C ATOM 0 H LEU A 168 -6.896 0.294 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 168 -4.127 -0.514 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -6.744 -1.602 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -5.377 -2.682 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 168 -5.638 -1.805 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -3.276 -1.171 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -3.445 -2.547 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -3.107 -0.920 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -5.043 0.532 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -4.952 0.865 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -6.506 0.412 -3.981 1.00 0.00 H new ATOM 412 N HIS A 169 -4.129 -2.351 -8.333 1.00 0.00 N ATOM 413 CA HIS A 169 -4.036 -3.236 -9.488 1.00 0.00 C ATOM 414 C HIS A 169 -3.194 -4.460 -9.133 1.00 0.00 C ATOM 415 O HIS A 169 -2.130 -4.333 -8.526 1.00 0.00 O ATOM 416 CB HIS A 169 -3.427 -2.505 -10.690 1.00 0.00 C ATOM 417 CG HIS A 169 -1.969 -2.193 -10.536 1.00 0.00 C ATOM 418 ND1 HIS A 169 -1.305 -1.502 -9.579 1.00 0.00 N flip ATOM 419 CD2 HIS A 169 -1.012 -2.607 -11.439 1.00 0.00 C flip ATOM 420 CE1 HIS A 169 0.025 -1.513 -9.918 1.00 0.00 C flip ATOM 421 NE2 HIS A 169 0.176 -2.186 -11.042 1.00 0.00 N flip ATOM 0 H HIS A 169 -3.278 -2.309 -7.773 1.00 0.00 H new ATOM 0 HA HIS A 169 -5.041 -3.557 -9.761 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -3.566 -3.115 -11.582 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -3.972 -1.575 -10.852 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -1.204 -3.185 -12.331 1.00 0.00 H new ATOM 0 HE1 HIS A 169 0.820 -1.046 -9.355 1.00 0.00 H new ATOM 0 HE2 HIS A 169 1.060 -2.353 -11.523 1.00 0.00 H new ATOM 430 N SER A 170 -3.677 -5.644 -9.494 1.00 0.00 N ATOM 431 CA SER A 170 -2.960 -6.878 -9.189 1.00 0.00 C ATOM 432 C SER A 170 -2.803 -7.756 -10.425 1.00 0.00 C ATOM 433 O SER A 170 -3.588 -7.669 -11.369 1.00 0.00 O ATOM 434 CB SER A 170 -3.688 -7.655 -8.091 1.00 0.00 C ATOM 435 OG SER A 170 -2.829 -8.602 -7.480 1.00 0.00 O ATOM 0 H SER A 170 -4.556 -5.776 -9.995 1.00 0.00 H new ATOM 0 HA SER A 170 -1.964 -6.603 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 170 -4.063 -6.962 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 170 -4.553 -8.165 -8.515 1.00 0.00 H new ATOM 0 HG SER A 170 -2.307 -8.164 -6.776 1.00 0.00 H new ATOM 441 N ASP A 171 -1.782 -8.607 -10.404 1.00 0.00 N ATOM 442 CA ASP A 171 -1.512 -9.515 -11.512 1.00 0.00 C ATOM 443 C ASP A 171 -1.327 -10.940 -11.001 1.00 0.00 C ATOM 444 O ASP A 171 -2.119 -11.830 -11.311 1.00 0.00 O ATOM 445 CB ASP A 171 -0.264 -9.066 -12.275 1.00 0.00 C ATOM 446 CG ASP A 171 0.022 -9.939 -13.481 1.00 0.00 C ATOM 447 OD1 ASP A 171 -0.721 -9.835 -14.479 1.00 0.00 O ATOM 448 OD2 ASP A 171 0.990 -10.727 -13.427 1.00 0.00 O ATOM 0 H ASP A 171 -1.125 -8.686 -9.627 1.00 0.00 H new ATOM 0 HA ASP A 171 -2.366 -9.495 -12.189 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -0.392 -8.033 -12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 171 0.595 -9.085 -11.604 1.00 0.00 H new ATOM 453 N LYS A 172 -0.279 -11.146 -10.210 1.00 0.00 N ATOM 454 CA LYS A 172 0.010 -12.459 -9.646 1.00 0.00 C ATOM 455 C LYS A 172 -0.681 -12.629 -8.297 1.00 0.00 C ATOM 456 O LYS A 172 -1.097 -11.651 -7.676 1.00 0.00 O ATOM 457 CB LYS A 172 1.520 -12.649 -9.487 1.00 0.00 C ATOM 458 CG LYS A 172 2.235 -12.963 -10.791 1.00 0.00 C ATOM 459 CD LYS A 172 1.993 -14.399 -11.228 1.00 0.00 C ATOM 460 CE LYS A 172 0.965 -14.476 -12.345 1.00 0.00 C ATOM 461 NZ LYS A 172 0.330 -15.820 -12.425 1.00 0.00 N ATOM 0 H LYS A 172 0.385 -10.419 -9.945 1.00 0.00 H new ATOM 0 HA LYS A 172 -0.372 -13.216 -10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 172 1.948 -11.744 -9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 172 1.703 -13.457 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 172 1.890 -12.282 -11.569 1.00 0.00 H new ATOM 0 HG3 LYS A 172 3.305 -12.794 -10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 172 2.931 -14.841 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 172 1.651 -14.987 -10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 172 0.196 -13.721 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 172 1.445 -14.244 -13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -0.364 -15.830 -13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 1.060 -16.539 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -0.150 -16.031 -11.527 1.00 0.00 H new ATOM 475 N SER A 173 -0.802 -13.874 -7.848 1.00 0.00 N ATOM 476 CA SER A 173 -1.447 -14.163 -6.571 1.00 0.00 C ATOM 477 C SER A 173 -0.435 -14.642 -5.533 1.00 0.00 C ATOM 478 O SER A 173 -0.798 -15.310 -4.565 1.00 0.00 O ATOM 479 CB SER A 173 -2.540 -15.217 -6.757 1.00 0.00 C ATOM 480 OG SER A 173 -3.263 -14.997 -7.956 1.00 0.00 O ATOM 0 H SER A 173 -0.463 -14.697 -8.347 1.00 0.00 H new ATOM 0 HA SER A 173 -1.895 -13.238 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 173 -2.092 -16.210 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 173 -3.222 -15.191 -5.907 1.00 0.00 H new ATOM 0 HG SER A 173 -3.954 -15.685 -8.052 1.00 0.00 H new ATOM 486 N LYS A 174 0.833 -14.299 -5.738 1.00 0.00 N ATOM 487 CA LYS A 174 1.887 -14.701 -4.812 1.00 0.00 C ATOM 488 C LYS A 174 2.358 -13.527 -3.950 1.00 0.00 C ATOM 489 O LYS A 174 2.431 -13.646 -2.727 1.00 0.00 O ATOM 490 CB LYS A 174 3.071 -15.311 -5.568 1.00 0.00 C ATOM 491 CG LYS A 174 2.770 -16.674 -6.170 1.00 0.00 C ATOM 492 CD LYS A 174 4.045 -17.444 -6.467 1.00 0.00 C ATOM 493 CE LYS A 174 3.759 -18.717 -7.247 1.00 0.00 C ATOM 494 NZ LYS A 174 2.831 -19.621 -6.514 1.00 0.00 N ATOM 0 H LYS A 174 1.155 -13.747 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 174 1.466 -15.457 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 174 3.373 -14.630 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 174 3.918 -15.402 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 174 2.149 -17.248 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 174 2.197 -16.549 -7.089 1.00 0.00 H new ATOM 0 HD2 LYS A 174 4.728 -16.813 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 174 4.546 -17.694 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 174 3.327 -18.461 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 174 4.695 -19.240 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 2.755 -20.526 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 3.197 -19.791 -5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 1.892 -19.178 -6.452 1.00 0.00 H new ATOM 508 N PRO A 175 2.687 -12.374 -4.564 1.00 0.00 N ATOM 509 CA PRO A 175 3.149 -11.196 -3.827 1.00 0.00 C ATOM 510 C PRO A 175 2.022 -10.527 -3.048 1.00 0.00 C ATOM 511 O PRO A 175 2.102 -10.368 -1.830 1.00 0.00 O ATOM 512 CB PRO A 175 3.672 -10.251 -4.922 1.00 0.00 C ATOM 513 CG PRO A 175 3.691 -11.058 -6.179 1.00 0.00 C ATOM 514 CD PRO A 175 2.642 -12.116 -6.008 1.00 0.00 C ATOM 0 HA PRO A 175 3.903 -11.458 -3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 175 3.027 -9.379 -5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 175 4.669 -9.883 -4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 175 3.477 -10.434 -7.047 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.672 -11.504 -6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 175 1.659 -11.769 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 175 2.869 -13.011 -6.588 1.00 0.00 H new ATOM 522 N GLY A 176 0.972 -10.137 -3.763 1.00 0.00 N ATOM 523 CA GLY A 176 -0.160 -9.488 -3.129 1.00 0.00 C ATOM 524 C GLY A 176 -0.787 -8.429 -4.013 1.00 0.00 C ATOM 525 O GLY A 176 -0.846 -8.584 -5.233 1.00 0.00 O ATOM 0 H GLY A 176 0.885 -10.259 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 176 -0.910 -10.237 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 176 0.163 -9.032 -2.193 1.00 0.00 H new ATOM 529 N GLN A 177 -1.255 -7.349 -3.398 1.00 0.00 N ATOM 530 CA GLN A 177 -1.879 -6.258 -4.137 1.00 0.00 C ATOM 531 C GLN A 177 -0.904 -5.101 -4.323 1.00 0.00 C ATOM 532 O GLN A 177 -0.021 -4.882 -3.493 1.00 0.00 O ATOM 533 CB GLN A 177 -3.133 -5.773 -3.408 1.00 0.00 C ATOM 534 CG GLN A 177 -3.865 -4.655 -4.131 1.00 0.00 C ATOM 535 CD GLN A 177 -4.615 -5.144 -5.354 1.00 0.00 C ATOM 536 OE1 GLN A 177 -4.206 -4.895 -6.489 1.00 0.00 O ATOM 537 NE2 GLN A 177 -5.721 -5.843 -5.129 1.00 0.00 N ATOM 0 H GLN A 177 -1.214 -7.205 -2.389 1.00 0.00 H new ATOM 0 HA GLN A 177 -2.162 -6.632 -5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -3.813 -6.614 -3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -2.853 -5.428 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -4.567 -4.182 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -3.148 -3.891 -4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -6.023 -6.026 -4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -6.269 -6.197 -5.913 1.00 0.00 H new ATOM 546 N PHE A 178 -1.067 -4.362 -5.415 1.00 0.00 N ATOM 547 CA PHE A 178 -0.198 -3.227 -5.705 1.00 0.00 C ATOM 548 C PHE A 178 -1.020 -1.994 -6.063 1.00 0.00 C ATOM 549 O PHE A 178 -1.999 -2.086 -6.802 1.00 0.00 O ATOM 550 CB PHE A 178 0.751 -3.560 -6.860 1.00 0.00 C ATOM 551 CG PHE A 178 1.290 -4.962 -6.820 1.00 0.00 C ATOM 552 CD1 PHE A 178 1.815 -5.487 -5.650 1.00 0.00 C ATOM 553 CD2 PHE A 178 1.271 -5.755 -7.956 1.00 0.00 C ATOM 554 CE1 PHE A 178 2.311 -6.776 -5.615 1.00 0.00 C ATOM 555 CE2 PHE A 178 1.765 -7.045 -7.927 1.00 0.00 C ATOM 556 CZ PHE A 178 2.286 -7.556 -6.755 1.00 0.00 C ATOM 0 H PHE A 178 -1.792 -4.528 -6.113 1.00 0.00 H new ATOM 0 HA PHE A 178 0.386 -3.015 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 178 0.226 -3.410 -7.803 1.00 0.00 H new ATOM 0 HB3 PHE A 178 1.586 -2.860 -6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 178 1.837 -4.882 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 178 0.865 -5.360 -8.876 1.00 0.00 H new ATOM 0 HE1 PHE A 178 2.718 -7.174 -4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 178 1.744 -7.653 -8.820 1.00 0.00 H new ATOM 0 HZ PHE A 178 2.673 -8.564 -6.729 1.00 0.00 H new ATOM 566 N ILE A 179 -0.613 -0.838 -5.546 1.00 0.00 N ATOM 567 CA ILE A 179 -1.315 0.407 -5.831 1.00 0.00 C ATOM 568 C ILE A 179 -1.064 0.837 -7.272 1.00 0.00 C ATOM 569 O ILE A 179 0.070 0.810 -7.749 1.00 0.00 O ATOM 570 CB ILE A 179 -0.883 1.535 -4.869 1.00 0.00 C ATOM 571 CG1 ILE A 179 -1.217 1.153 -3.427 1.00 0.00 C ATOM 572 CG2 ILE A 179 -1.559 2.850 -5.238 1.00 0.00 C ATOM 573 CD1 ILE A 179 -0.707 2.147 -2.408 1.00 0.00 C ATOM 0 H ILE A 179 0.195 -0.739 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 179 -2.380 0.225 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 179 0.195 1.669 -4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -2.298 1.062 -3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -0.792 0.173 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -1.240 3.630 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -1.281 3.130 -6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -2.641 2.732 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -0.979 1.814 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 179 0.378 2.221 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -1.152 3.124 -2.598 1.00 0.00 H new ATOM 585 N ARG A 180 -2.131 1.216 -7.965 1.00 0.00 N ATOM 586 CA ARG A 180 -2.023 1.631 -9.357 1.00 0.00 C ATOM 587 C ARG A 180 -2.059 3.151 -9.498 1.00 0.00 C ATOM 588 O ARG A 180 -1.455 3.707 -10.416 1.00 0.00 O ATOM 589 CB ARG A 180 -3.140 0.989 -10.187 1.00 0.00 C ATOM 590 CG ARG A 180 -4.499 1.647 -10.015 1.00 0.00 C ATOM 591 CD ARG A 180 -5.520 1.083 -10.991 1.00 0.00 C ATOM 592 NE ARG A 180 -5.750 1.978 -12.123 1.00 0.00 N ATOM 593 CZ ARG A 180 -6.823 1.919 -12.909 1.00 0.00 C ATOM 594 NH1 ARG A 180 -7.766 1.010 -12.691 1.00 0.00 N ATOM 595 NH2 ARG A 180 -6.954 2.771 -13.917 1.00 0.00 N ATOM 0 H ARG A 180 -3.078 1.244 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 180 -1.058 1.291 -9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 180 -2.862 1.025 -11.240 1.00 0.00 H new ATOM 0 HB3 ARG A 180 -3.221 -0.063 -9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 180 -4.850 1.498 -8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 180 -4.405 2.722 -10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 180 -5.175 0.116 -11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 180 -6.461 0.909 -10.470 1.00 0.00 H new ATOM 0 HE ARG A 180 -5.047 2.690 -12.323 1.00 0.00 H new ATOM 0 HH11 ARG A 180 -7.671 0.352 -11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -8.586 0.970 -13.297 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -6.233 3.471 -14.090 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -7.776 2.726 -14.519 1.00 0.00 H new ATOM 609 N SER A 181 -2.770 3.825 -8.597 1.00 0.00 N ATOM 610 CA SER A 181 -2.866 5.279 -8.655 1.00 0.00 C ATOM 611 C SER A 181 -3.113 5.884 -7.277 1.00 0.00 C ATOM 612 O SER A 181 -3.808 5.304 -6.444 1.00 0.00 O ATOM 613 CB SER A 181 -3.985 5.696 -9.610 1.00 0.00 C ATOM 614 OG SER A 181 -3.825 7.040 -10.030 1.00 0.00 O ATOM 0 H SER A 181 -3.282 3.393 -7.828 1.00 0.00 H new ATOM 0 HA SER A 181 -1.912 5.657 -9.022 1.00 0.00 H new ATOM 0 HB2 SER A 181 -3.989 5.038 -10.479 1.00 0.00 H new ATOM 0 HB3 SER A 181 -4.950 5.579 -9.117 1.00 0.00 H new ATOM 0 HG SER A 181 -4.552 7.281 -10.641 1.00 0.00 H new ATOM 620 N VAL A 182 -2.542 7.063 -7.055 1.00 0.00 N ATOM 621 CA VAL A 182 -2.697 7.770 -5.791 1.00 0.00 C ATOM 622 C VAL A 182 -3.149 9.206 -6.036 1.00 0.00 C ATOM 623 O VAL A 182 -2.592 9.904 -6.882 1.00 0.00 O ATOM 624 CB VAL A 182 -1.384 7.786 -4.987 1.00 0.00 C ATOM 625 CG1 VAL A 182 -1.623 8.320 -3.583 1.00 0.00 C ATOM 626 CG2 VAL A 182 -0.770 6.395 -4.939 1.00 0.00 C ATOM 0 H VAL A 182 -1.964 7.551 -7.740 1.00 0.00 H new ATOM 0 HA VAL A 182 -3.453 7.238 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.681 8.451 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -0.684 8.324 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -2.013 9.336 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.344 7.684 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.157 6.426 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -1.467 5.706 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 182 -0.559 6.055 -5.953 1.00 0.00 H new ATOM 636 N ASP A 183 -4.167 9.640 -5.301 1.00 0.00 N ATOM 637 CA ASP A 183 -4.693 10.991 -5.453 1.00 0.00 C ATOM 638 C ASP A 183 -3.883 11.993 -4.630 1.00 0.00 C ATOM 639 O ASP A 183 -3.790 11.870 -3.409 1.00 0.00 O ATOM 640 CB ASP A 183 -6.163 11.037 -5.032 1.00 0.00 C ATOM 641 CG ASP A 183 -6.817 12.368 -5.350 1.00 0.00 C ATOM 642 OD1 ASP A 183 -6.199 13.176 -6.074 1.00 0.00 O ATOM 643 OD2 ASP A 183 -7.947 12.602 -4.873 1.00 0.00 O ATOM 0 H ASP A 183 -4.643 9.077 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 183 -4.612 11.267 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 183 -6.707 10.239 -5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 183 -6.237 10.846 -3.961 1.00 0.00 H new ATOM 648 N PRO A 184 -3.279 13.002 -5.285 1.00 0.00 N ATOM 649 CA PRO A 184 -2.478 14.018 -4.596 1.00 0.00 C ATOM 650 C PRO A 184 -3.292 14.802 -3.571 1.00 0.00 C ATOM 651 O PRO A 184 -4.401 15.254 -3.859 1.00 0.00 O ATOM 652 CB PRO A 184 -2.011 14.947 -5.724 1.00 0.00 C ATOM 653 CG PRO A 184 -2.157 14.147 -6.973 1.00 0.00 C ATOM 654 CD PRO A 184 -3.324 13.231 -6.740 1.00 0.00 C ATOM 0 HA PRO A 184 -1.660 13.568 -4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 184 -2.615 15.853 -5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 184 -0.977 15.259 -5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 184 -2.333 14.793 -7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 184 -1.250 13.579 -7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 184 -4.264 13.689 -7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 184 -3.225 12.300 -7.299 1.00 0.00 H new ATOM 662 N ASP A 185 -2.730 14.966 -2.377 1.00 0.00 N ATOM 663 CA ASP A 185 -3.394 15.703 -1.304 1.00 0.00 C ATOM 664 C ASP A 185 -4.574 14.923 -0.725 1.00 0.00 C ATOM 665 O ASP A 185 -5.407 15.487 -0.015 1.00 0.00 O ATOM 666 CB ASP A 185 -3.872 17.067 -1.809 1.00 0.00 C ATOM 667 CG ASP A 185 -4.117 18.049 -0.680 1.00 0.00 C ATOM 668 OD1 ASP A 185 -5.188 17.966 -0.043 1.00 0.00 O ATOM 669 OD2 ASP A 185 -3.238 18.901 -0.433 1.00 0.00 O ATOM 0 H ASP A 185 -1.813 14.597 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 185 -2.663 15.847 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -3.128 17.480 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -4.791 16.938 -2.380 1.00 0.00 H new ATOM 674 N SER A 186 -4.642 13.627 -1.020 1.00 0.00 N ATOM 675 CA SER A 186 -5.724 12.791 -0.511 1.00 0.00 C ATOM 676 C SER A 186 -5.278 12.035 0.737 1.00 0.00 C ATOM 677 O SER A 186 -4.082 11.906 0.998 1.00 0.00 O ATOM 678 CB SER A 186 -6.191 11.807 -1.584 1.00 0.00 C ATOM 679 OG SER A 186 -6.890 12.477 -2.619 1.00 0.00 O ATOM 0 H SER A 186 -3.965 13.136 -1.605 1.00 0.00 H new ATOM 0 HA SER A 186 -6.559 13.440 -0.244 1.00 0.00 H new ATOM 0 HB2 SER A 186 -5.331 11.283 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 186 -6.836 11.052 -1.134 1.00 0.00 H new ATOM 0 HG SER A 186 -7.843 12.253 -2.568 1.00 0.00 H new ATOM 685 N PRO A 187 -6.236 11.526 1.533 1.00 0.00 N ATOM 686 CA PRO A 187 -5.931 10.786 2.760 1.00 0.00 C ATOM 687 C PRO A 187 -4.798 9.782 2.577 1.00 0.00 C ATOM 688 O PRO A 187 -3.941 9.638 3.449 1.00 0.00 O ATOM 689 CB PRO A 187 -7.246 10.073 3.064 1.00 0.00 C ATOM 690 CG PRO A 187 -8.291 10.988 2.525 1.00 0.00 C ATOM 691 CD PRO A 187 -7.690 11.635 1.304 1.00 0.00 C ATOM 0 HA PRO A 187 -5.586 11.441 3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 187 -7.288 9.094 2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 187 -7.373 9.910 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -9.196 10.438 2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 187 -8.572 11.737 3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -7.991 11.123 0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 187 -8.004 12.674 1.206 1.00 0.00 H new ATOM 699 N ALA A 188 -4.788 9.096 1.438 1.00 0.00 N ATOM 700 CA ALA A 188 -3.743 8.121 1.157 1.00 0.00 C ATOM 701 C ALA A 188 -2.379 8.801 1.099 1.00 0.00 C ATOM 702 O ALA A 188 -1.399 8.307 1.658 1.00 0.00 O ATOM 703 CB ALA A 188 -4.035 7.396 -0.149 1.00 0.00 C ATOM 0 H ALA A 188 -5.486 9.197 0.701 1.00 0.00 H new ATOM 0 HA ALA A 188 -3.726 7.388 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -3.246 6.670 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -4.992 6.880 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -4.076 8.118 -0.965 1.00 0.00 H new ATOM 709 N GLU A 189 -2.330 9.943 0.422 1.00 0.00 N ATOM 710 CA GLU A 189 -1.093 10.705 0.286 1.00 0.00 C ATOM 711 C GLU A 189 -0.692 11.338 1.613 1.00 0.00 C ATOM 712 O GLU A 189 0.439 11.181 2.073 1.00 0.00 O ATOM 713 CB GLU A 189 -1.260 11.795 -0.775 1.00 0.00 C ATOM 714 CG GLU A 189 0.058 12.309 -1.331 1.00 0.00 C ATOM 715 CD GLU A 189 0.879 11.217 -1.988 1.00 0.00 C ATOM 716 OE1 GLU A 189 1.559 10.465 -1.258 1.00 0.00 O ATOM 717 OE2 GLU A 189 0.843 11.114 -3.232 1.00 0.00 O ATOM 0 H GLU A 189 -3.135 10.363 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 189 -0.305 10.017 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -1.863 11.403 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -1.813 12.629 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -0.141 13.096 -2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 189 0.637 12.759 -0.525 1.00 0.00 H new ATOM 724 N ALA A 190 -1.630 12.060 2.220 1.00 0.00 N ATOM 725 CA ALA A 190 -1.385 12.731 3.494 1.00 0.00 C ATOM 726 C ALA A 190 -0.697 11.805 4.494 1.00 0.00 C ATOM 727 O ALA A 190 0.052 12.259 5.360 1.00 0.00 O ATOM 728 CB ALA A 190 -2.693 13.253 4.071 1.00 0.00 C ATOM 0 H ALA A 190 -2.570 12.196 1.849 1.00 0.00 H new ATOM 0 HA ALA A 190 -0.716 13.570 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.499 13.751 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -3.141 13.962 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -3.378 12.420 4.232 1.00 0.00 H new ATOM 734 N SER A 191 -0.955 10.508 4.370 1.00 0.00 N ATOM 735 CA SER A 191 -0.358 9.524 5.265 1.00 0.00 C ATOM 736 C SER A 191 1.040 9.134 4.793 1.00 0.00 C ATOM 737 O SER A 191 1.916 8.828 5.601 1.00 0.00 O ATOM 738 CB SER A 191 -1.244 8.281 5.356 1.00 0.00 C ATOM 739 OG SER A 191 -0.569 7.219 6.010 1.00 0.00 O ATOM 0 H SER A 191 -1.572 10.114 3.660 1.00 0.00 H new ATOM 0 HA SER A 191 -0.275 9.975 6.254 1.00 0.00 H new ATOM 0 HB2 SER A 191 -2.159 8.522 5.897 1.00 0.00 H new ATOM 0 HB3 SER A 191 -1.539 7.967 4.355 1.00 0.00 H new ATOM 0 HG SER A 191 -0.363 6.514 5.361 1.00 0.00 H new ATOM 745 N GLY A 192 1.242 9.150 3.479 1.00 0.00 N ATOM 746 CA GLY A 192 2.537 8.798 2.923 1.00 0.00 C ATOM 747 C GLY A 192 2.459 7.676 1.902 1.00 0.00 C ATOM 748 O GLY A 192 3.487 7.177 1.443 1.00 0.00 O ATOM 0 H GLY A 192 0.533 9.400 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 192 2.977 9.678 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 192 3.205 8.500 3.732 1.00 0.00 H new ATOM 752 N LEU A 193 1.241 7.278 1.543 1.00 0.00 N ATOM 753 CA LEU A 193 1.040 6.210 0.569 1.00 0.00 C ATOM 754 C LEU A 193 1.728 6.543 -0.752 1.00 0.00 C ATOM 755 O LEU A 193 1.806 7.707 -1.145 1.00 0.00 O ATOM 756 CB LEU A 193 -0.458 5.983 0.348 1.00 0.00 C ATOM 757 CG LEU A 193 -0.819 4.890 -0.660 1.00 0.00 C ATOM 758 CD1 LEU A 193 -2.249 4.415 -0.434 1.00 0.00 C ATOM 759 CD2 LEU A 193 -0.642 5.399 -2.086 1.00 0.00 C ATOM 0 H LEU A 193 0.379 7.679 1.912 1.00 0.00 H new ATOM 0 HA LEU A 193 1.485 5.295 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.915 5.734 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -0.904 6.920 0.016 1.00 0.00 H new ATOM 0 HG LEU A 193 -0.146 4.045 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -2.493 3.637 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -2.344 4.014 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.935 5.253 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -0.903 4.608 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -1.292 6.259 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 193 0.396 5.694 -2.241 1.00 0.00 H new ATOM 771 N ARG A 194 2.226 5.515 -1.433 1.00 0.00 N ATOM 772 CA ARG A 194 2.906 5.705 -2.709 1.00 0.00 C ATOM 773 C ARG A 194 2.465 4.655 -3.721 1.00 0.00 C ATOM 774 O ARG A 194 2.324 3.479 -3.389 1.00 0.00 O ATOM 775 CB ARG A 194 4.423 5.641 -2.518 1.00 0.00 C ATOM 776 CG ARG A 194 5.024 6.933 -1.989 1.00 0.00 C ATOM 777 CD ARG A 194 6.516 7.008 -2.271 1.00 0.00 C ATOM 778 NE ARG A 194 7.112 8.234 -1.746 1.00 0.00 N ATOM 779 CZ ARG A 194 7.000 9.423 -2.334 1.00 0.00 C ATOM 780 NH1 ARG A 194 6.315 9.551 -3.464 1.00 0.00 N ATOM 781 NH2 ARG A 194 7.573 10.488 -1.790 1.00 0.00 N ATOM 0 H ARG A 194 2.171 4.545 -1.123 1.00 0.00 H new ATOM 0 HA ARG A 194 2.637 6.689 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 194 4.660 4.831 -1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 194 4.891 5.396 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 194 4.522 7.784 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 194 4.851 7.003 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 194 7.012 6.145 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 194 6.685 6.955 -3.347 1.00 0.00 H new ATOM 0 HE ARG A 194 7.645 8.176 -0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 194 5.871 8.736 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 194 6.233 10.465 -3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 194 8.099 10.396 -0.921 1.00 0.00 H new ATOM 0 HH22 ARG A 194 7.487 11.399 -2.240 1.00 0.00 H new ATOM 795 N ALA A 195 2.247 5.089 -4.956 1.00 0.00 N ATOM 796 CA ALA A 195 1.820 4.187 -6.017 1.00 0.00 C ATOM 797 C ALA A 195 2.881 3.130 -6.306 1.00 0.00 C ATOM 798 O ALA A 195 4.076 3.377 -6.149 1.00 0.00 O ATOM 799 CB ALA A 195 1.501 4.974 -7.279 1.00 0.00 C ATOM 0 H ALA A 195 2.359 6.060 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 195 0.919 3.674 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 195 1.183 4.289 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 195 0.701 5.685 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 195 2.390 5.513 -7.606 1.00 0.00 H new ATOM 805 N GLN A 196 2.429 1.954 -6.736 1.00 0.00 N ATOM 806 CA GLN A 196 3.326 0.845 -7.062 1.00 0.00 C ATOM 807 C GLN A 196 3.884 0.169 -5.809 1.00 0.00 C ATOM 808 O GLN A 196 4.689 -0.756 -5.910 1.00 0.00 O ATOM 809 CB GLN A 196 4.479 1.324 -7.950 1.00 0.00 C ATOM 810 CG GLN A 196 4.026 2.138 -9.151 1.00 0.00 C ATOM 811 CD GLN A 196 5.144 2.395 -10.138 1.00 0.00 C ATOM 812 OE1 GLN A 196 4.944 2.330 -11.351 1.00 0.00 O ATOM 813 NE2 GLN A 196 6.331 2.688 -9.625 1.00 0.00 N ATOM 0 H GLN A 196 1.440 1.743 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 196 2.734 0.108 -7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 196 5.162 1.926 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 196 5.041 0.458 -8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 196 3.215 1.613 -9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 196 3.624 3.091 -8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 196 6.453 2.731 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 196 7.122 2.870 -10.242 1.00 0.00 H new ATOM 822 N ASP A 197 3.458 0.620 -4.630 1.00 0.00 N ATOM 823 CA ASP A 197 3.934 0.026 -3.383 1.00 0.00 C ATOM 824 C ASP A 197 3.309 -1.351 -3.176 1.00 0.00 C ATOM 825 O ASP A 197 2.225 -1.632 -3.687 1.00 0.00 O ATOM 826 CB ASP A 197 3.613 0.938 -2.195 1.00 0.00 C ATOM 827 CG ASP A 197 2.124 1.143 -1.999 1.00 0.00 C ATOM 828 OD1 ASP A 197 1.335 0.395 -2.610 1.00 0.00 O ATOM 829 OD2 ASP A 197 1.748 2.054 -1.232 1.00 0.00 O ATOM 0 H ASP A 197 2.793 1.384 -4.513 1.00 0.00 H new ATOM 0 HA ASP A 197 5.016 -0.088 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 197 4.039 0.509 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.092 1.906 -2.345 1.00 0.00 H new ATOM 834 N ARG A 198 3.998 -2.212 -2.432 1.00 0.00 N ATOM 835 CA ARG A 198 3.496 -3.560 -2.175 1.00 0.00 C ATOM 836 C ARG A 198 2.630 -3.595 -0.919 1.00 0.00 C ATOM 837 O ARG A 198 3.115 -3.359 0.186 1.00 0.00 O ATOM 838 CB ARG A 198 4.658 -4.545 -2.030 1.00 0.00 C ATOM 839 CG ARG A 198 5.617 -4.534 -3.209 1.00 0.00 C ATOM 840 CD ARG A 198 5.077 -5.346 -4.377 1.00 0.00 C ATOM 841 NE ARG A 198 4.724 -4.502 -5.515 1.00 0.00 N ATOM 842 CZ ARG A 198 4.595 -4.953 -6.761 1.00 0.00 C ATOM 843 NH1 ARG A 198 4.788 -6.238 -7.032 1.00 0.00 N ATOM 844 NH2 ARG A 198 4.274 -4.117 -7.739 1.00 0.00 N ATOM 0 H ARG A 198 4.898 -2.004 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 198 2.882 -3.854 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 198 5.211 -4.310 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 198 4.257 -5.551 -1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 198 5.790 -3.506 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.581 -4.938 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 198 5.824 -6.077 -4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 198 4.199 -5.905 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 198 4.567 -3.509 -5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 198 5.036 -6.885 -6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 198 4.688 -6.578 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 198 4.126 -3.128 -7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 198 4.175 -4.463 -8.694 1.00 0.00 H new ATOM 858 N ILE A 199 1.347 -3.896 -1.099 1.00 0.00 N ATOM 859 CA ILE A 199 0.413 -3.968 0.020 1.00 0.00 C ATOM 860 C ILE A 199 0.782 -5.106 0.965 1.00 0.00 C ATOM 861 O ILE A 199 0.925 -6.254 0.547 1.00 0.00 O ATOM 862 CB ILE A 199 -1.038 -4.164 -0.466 1.00 0.00 C ATOM 863 CG1 ILE A 199 -1.402 -3.094 -1.498 1.00 0.00 C ATOM 864 CG2 ILE A 199 -2.006 -4.125 0.710 1.00 0.00 C ATOM 865 CD1 ILE A 199 -1.410 -1.689 -0.936 1.00 0.00 C ATOM 0 H ILE A 199 0.931 -4.094 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 199 0.480 -3.019 0.552 1.00 0.00 H new ATOM 0 HB ILE A 199 -1.115 -5.143 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 199 -0.693 -3.142 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 199 -2.386 -3.318 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 199 -3.024 -4.265 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 199 -1.758 -4.921 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 199 -1.929 -3.161 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 199 -1.676 -0.984 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 199 -2.140 -1.624 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 199 -0.420 -1.446 -0.550 1.00 0.00 H new ATOM 877 N VAL A 200 0.939 -4.774 2.241 1.00 0.00 N ATOM 878 CA VAL A 200 1.298 -5.763 3.251 1.00 0.00 C ATOM 879 C VAL A 200 0.108 -6.109 4.143 1.00 0.00 C ATOM 880 O VAL A 200 -0.133 -7.279 4.438 1.00 0.00 O ATOM 881 CB VAL A 200 2.460 -5.269 4.134 1.00 0.00 C ATOM 882 CG1 VAL A 200 2.952 -6.386 5.042 1.00 0.00 C ATOM 883 CG2 VAL A 200 3.595 -4.730 3.275 1.00 0.00 C ATOM 0 H VAL A 200 0.823 -3.827 2.601 1.00 0.00 H new ATOM 0 HA VAL A 200 1.612 -6.657 2.713 1.00 0.00 H new ATOM 0 HB VAL A 200 2.095 -4.456 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 200 3.773 -6.019 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 200 2.137 -6.719 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 200 3.300 -7.222 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 200 4.406 -4.386 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 200 3.962 -5.520 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 200 3.232 -3.898 2.672 1.00 0.00 H new ATOM 893 N GLU A 201 -0.631 -5.090 4.576 1.00 0.00 N ATOM 894 CA GLU A 201 -1.789 -5.308 5.438 1.00 0.00 C ATOM 895 C GLU A 201 -2.913 -4.324 5.129 1.00 0.00 C ATOM 896 O GLU A 201 -2.745 -3.397 4.335 1.00 0.00 O ATOM 897 CB GLU A 201 -1.386 -5.200 6.914 1.00 0.00 C ATOM 898 CG GLU A 201 -1.267 -3.771 7.422 1.00 0.00 C ATOM 899 CD GLU A 201 -0.426 -3.666 8.680 1.00 0.00 C ATOM 900 OE1 GLU A 201 0.809 -3.821 8.583 1.00 0.00 O ATOM 901 OE2 GLU A 201 -1.003 -3.428 9.762 1.00 0.00 O ATOM 0 H GLU A 201 -0.450 -4.113 4.346 1.00 0.00 H new ATOM 0 HA GLU A 201 -2.160 -6.314 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -2.121 -5.730 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -0.431 -5.706 7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -0.828 -3.148 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -2.263 -3.376 7.622 1.00 0.00 H new ATOM 908 N VAL A 202 -4.057 -4.537 5.771 1.00 0.00 N ATOM 909 CA VAL A 202 -5.218 -3.678 5.582 1.00 0.00 C ATOM 910 C VAL A 202 -6.088 -3.657 6.835 1.00 0.00 C ATOM 911 O VAL A 202 -6.774 -4.630 7.144 1.00 0.00 O ATOM 912 CB VAL A 202 -6.071 -4.135 4.382 1.00 0.00 C ATOM 913 CG1 VAL A 202 -7.221 -3.169 4.140 1.00 0.00 C ATOM 914 CG2 VAL A 202 -5.208 -4.269 3.136 1.00 0.00 C ATOM 0 H VAL A 202 -4.204 -5.302 6.430 1.00 0.00 H new ATOM 0 HA VAL A 202 -4.842 -2.674 5.383 1.00 0.00 H new ATOM 0 HB VAL A 202 -6.494 -5.113 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 202 -7.810 -3.510 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 202 -7.854 -3.128 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 202 -6.824 -2.176 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 202 -5.826 -4.592 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 202 -4.755 -3.306 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 202 -4.424 -5.005 3.314 1.00 0.00 H new ATOM 924 N ASN A 203 -6.055 -2.539 7.552 1.00 0.00 N ATOM 925 CA ASN A 203 -6.838 -2.387 8.773 1.00 0.00 C ATOM 926 C ASN A 203 -6.289 -3.262 9.897 1.00 0.00 C ATOM 927 O ASN A 203 -7.012 -3.613 10.829 1.00 0.00 O ATOM 928 CB ASN A 203 -8.307 -2.732 8.514 1.00 0.00 C ATOM 929 CG ASN A 203 -9.231 -2.148 9.564 1.00 0.00 C ATOM 930 OD1 ASN A 203 -9.048 -1.014 10.007 1.00 0.00 O ATOM 931 ND2 ASN A 203 -10.232 -2.921 9.968 1.00 0.00 N ATOM 0 H ASN A 203 -5.493 -1.723 7.308 1.00 0.00 H new ATOM 0 HA ASN A 203 -6.765 -1.345 9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 203 -8.597 -2.360 7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 203 -8.425 -3.815 8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 203 -10.887 -2.581 10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 203 -10.346 -3.855 9.574 1.00 0.00 H new ATOM 938 N GLY A 204 -5.005 -3.599 9.813 1.00 0.00 N ATOM 939 CA GLY A 204 -4.387 -4.416 10.842 1.00 0.00 C ATOM 940 C GLY A 204 -4.137 -5.847 10.404 1.00 0.00 C ATOM 941 O GLY A 204 -3.314 -6.544 10.998 1.00 0.00 O ATOM 0 H GLY A 204 -4.383 -3.322 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -3.440 -3.963 11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -5.026 -4.420 11.725 1.00 0.00 H new ATOM 945 N VAL A 205 -4.843 -6.294 9.370 1.00 0.00 N ATOM 946 CA VAL A 205 -4.679 -7.659 8.877 1.00 0.00 C ATOM 947 C VAL A 205 -3.478 -7.771 7.941 1.00 0.00 C ATOM 948 O VAL A 205 -3.561 -7.433 6.760 1.00 0.00 O ATOM 949 CB VAL A 205 -5.943 -8.160 8.149 1.00 0.00 C ATOM 950 CG1 VAL A 205 -7.126 -8.205 9.105 1.00 0.00 C ATOM 951 CG2 VAL A 205 -6.257 -7.286 6.943 1.00 0.00 C ATOM 0 H VAL A 205 -5.529 -5.737 8.860 1.00 0.00 H new ATOM 0 HA VAL A 205 -4.509 -8.287 9.752 1.00 0.00 H new ATOM 0 HB VAL A 205 -5.752 -9.172 7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -8.009 -8.561 8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -6.902 -8.881 9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -7.316 -7.206 9.496 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -7.152 -7.659 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -6.425 -6.260 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -5.419 -7.312 6.247 1.00 0.00 H new ATOM 961 N CYS A 206 -2.359 -8.249 8.479 1.00 0.00 N ATOM 962 CA CYS A 206 -1.138 -8.408 7.697 1.00 0.00 C ATOM 963 C CYS A 206 -1.135 -9.739 6.954 1.00 0.00 C ATOM 964 O CYS A 206 -0.845 -10.785 7.534 1.00 0.00 O ATOM 965 CB CYS A 206 0.091 -8.315 8.604 1.00 0.00 C ATOM 966 SG CYS A 206 1.666 -8.358 7.717 1.00 0.00 S ATOM 0 H CYS A 206 -2.273 -8.533 9.455 1.00 0.00 H new ATOM 0 HA CYS A 206 -1.101 -7.603 6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 206 0.035 -7.391 9.180 1.00 0.00 H new ATOM 0 HB3 CYS A 206 0.066 -9.138 9.318 1.00 0.00 H new ATOM 0 HG CYS A 206 2.645 -8.272 8.567 1.00 0.00 H new ATOM 972 N MET A 207 -1.458 -9.691 5.666 1.00 0.00 N ATOM 973 CA MET A 207 -1.491 -10.894 4.842 1.00 0.00 C ATOM 974 C MET A 207 -0.705 -10.693 3.551 1.00 0.00 C ATOM 975 O MET A 207 -1.202 -10.098 2.593 1.00 0.00 O ATOM 976 CB MET A 207 -2.936 -11.277 4.520 1.00 0.00 C ATOM 977 CG MET A 207 -3.708 -11.806 5.717 1.00 0.00 C ATOM 978 SD MET A 207 -2.924 -13.244 6.472 1.00 0.00 S ATOM 979 CE MET A 207 -3.754 -13.287 8.059 1.00 0.00 C ATOM 0 H MET A 207 -1.700 -8.833 5.170 1.00 0.00 H new ATOM 0 HA MET A 207 -1.025 -11.702 5.406 1.00 0.00 H new ATOM 0 HB2 MET A 207 -3.454 -10.405 4.121 1.00 0.00 H new ATOM 0 HB3 MET A 207 -2.936 -12.034 3.735 1.00 0.00 H new ATOM 0 HG2 MET A 207 -3.801 -11.016 6.462 1.00 0.00 H new ATOM 0 HG3 MET A 207 -4.718 -12.071 5.404 1.00 0.00 H new ATOM 0 HE1 MET A 207 -3.376 -14.125 8.645 1.00 0.00 H new ATOM 0 HE2 MET A 207 -3.565 -12.356 8.594 1.00 0.00 H new ATOM 0 HE3 MET A 207 -4.827 -13.406 7.906 1.00 0.00 H new ATOM 989 N GLU A 208 0.525 -11.197 3.531 1.00 0.00 N ATOM 990 CA GLU A 208 1.381 -11.076 2.357 1.00 0.00 C ATOM 991 C GLU A 208 0.859 -11.942 1.216 1.00 0.00 C ATOM 992 O GLU A 208 1.044 -13.159 1.212 1.00 0.00 O ATOM 993 CB GLU A 208 2.817 -11.473 2.701 1.00 0.00 C ATOM 994 CG GLU A 208 3.817 -11.142 1.605 1.00 0.00 C ATOM 995 CD GLU A 208 5.244 -11.079 2.116 1.00 0.00 C ATOM 996 OE1 GLU A 208 5.900 -12.140 2.176 1.00 0.00 O ATOM 997 OE2 GLU A 208 5.705 -9.969 2.456 1.00 0.00 O ATOM 0 H GLU A 208 0.951 -11.693 4.314 1.00 0.00 H new ATOM 0 HA GLU A 208 1.370 -10.035 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.115 -10.967 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 208 2.851 -12.544 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 208 3.750 -11.893 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 208 3.554 -10.185 1.155 1.00 0.00 H new ATOM 1004 N GLY A 209 0.206 -11.306 0.250 1.00 0.00 N ATOM 1005 CA GLY A 209 -0.335 -12.031 -0.884 1.00 0.00 C ATOM 1006 C GLY A 209 -1.846 -11.928 -0.979 1.00 0.00 C ATOM 1007 O GLY A 209 -2.491 -12.760 -1.616 1.00 0.00 O ATOM 0 H GLY A 209 0.041 -10.300 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 209 0.110 -11.646 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -0.051 -13.081 -0.808 1.00 0.00 H new ATOM 1011 N LYS A 210 -2.414 -10.905 -0.344 1.00 0.00 N ATOM 1012 CA LYS A 210 -3.859 -10.701 -0.363 1.00 0.00 C ATOM 1013 C LYS A 210 -4.386 -10.641 -1.794 1.00 0.00 C ATOM 1014 O LYS A 210 -3.676 -10.232 -2.713 1.00 0.00 O ATOM 1015 CB LYS A 210 -4.221 -9.412 0.381 1.00 0.00 C ATOM 1016 CG LYS A 210 -4.259 -9.550 1.898 1.00 0.00 C ATOM 1017 CD LYS A 210 -5.576 -10.140 2.400 1.00 0.00 C ATOM 1018 CE LYS A 210 -5.823 -11.555 1.895 1.00 0.00 C ATOM 1019 NZ LYS A 210 -4.695 -12.475 2.210 1.00 0.00 N ATOM 0 H LYS A 210 -1.896 -10.206 0.189 1.00 0.00 H new ATOM 0 HA LYS A 210 -4.326 -11.548 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 210 -3.499 -8.639 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 210 -5.196 -9.069 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 210 -3.434 -10.184 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 210 -4.107 -8.571 2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 210 -5.574 -10.144 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 210 -6.399 -9.499 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 210 -6.739 -11.942 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 210 -5.978 -11.531 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 -4.846 -13.386 1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 -3.802 -12.055 1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 -4.648 -12.627 3.238 1.00 0.00 H new ATOM 1033 N GLN A 211 -5.635 -11.057 -1.973 1.00 0.00 N ATOM 1034 CA GLN A 211 -6.264 -11.059 -3.290 1.00 0.00 C ATOM 1035 C GLN A 211 -7.067 -9.782 -3.517 1.00 0.00 C ATOM 1036 O GLN A 211 -7.431 -9.088 -2.568 1.00 0.00 O ATOM 1037 CB GLN A 211 -7.174 -12.278 -3.439 1.00 0.00 C ATOM 1038 CG GLN A 211 -6.503 -13.587 -3.054 1.00 0.00 C ATOM 1039 CD GLN A 211 -5.445 -14.015 -4.053 1.00 0.00 C ATOM 1040 OE1 GLN A 211 -5.655 -14.939 -4.839 1.00 0.00 O ATOM 1041 NE2 GLN A 211 -4.300 -13.343 -4.026 1.00 0.00 N ATOM 0 H GLN A 211 -6.234 -11.398 -1.221 1.00 0.00 H new ATOM 0 HA GLN A 211 -5.474 -11.106 -4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -8.060 -12.138 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -7.514 -12.343 -4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -6.047 -13.482 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -7.259 -14.368 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.170 -12.584 -3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.551 -13.586 -4.674 1.00 0.00 H new ATOM 1050 N HIS A 212 -7.340 -9.478 -4.784 1.00 0.00 N ATOM 1051 CA HIS A 212 -8.102 -8.284 -5.144 1.00 0.00 C ATOM 1052 C HIS A 212 -9.356 -8.152 -4.282 1.00 0.00 C ATOM 1053 O HIS A 212 -9.511 -7.182 -3.540 1.00 0.00 O ATOM 1054 CB HIS A 212 -8.489 -8.329 -6.624 1.00 0.00 C ATOM 1055 CG HIS A 212 -9.244 -7.121 -7.084 1.00 0.00 C ATOM 1056 ND1 HIS A 212 -8.646 -5.896 -7.293 1.00 0.00 N ATOM 1057 CD2 HIS A 212 -10.555 -6.953 -7.377 1.00 0.00 C ATOM 1058 CE1 HIS A 212 -9.557 -5.027 -7.694 1.00 0.00 C ATOM 1059 NE2 HIS A 212 -10.723 -5.643 -7.754 1.00 0.00 N ATOM 0 H HIS A 212 -7.044 -10.043 -5.580 1.00 0.00 H new ATOM 0 HA HIS A 212 -7.470 -7.414 -4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -7.585 -8.432 -7.224 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -9.095 -9.217 -6.805 1.00 0.00 H new ATOM 0 HD2 HIS A 212 -11.325 -7.708 -7.324 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -9.378 -3.989 -7.932 1.00 0.00 H new ATOM 0 HE2 HIS A 212 -11.605 -5.215 -8.035 1.00 0.00 H new ATOM 1068 N GLY A 213 -10.245 -9.136 -4.380 1.00 0.00 N ATOM 1069 CA GLY A 213 -11.467 -9.112 -3.599 1.00 0.00 C ATOM 1070 C GLY A 213 -11.193 -9.018 -2.113 1.00 0.00 C ATOM 1071 O GLY A 213 -11.981 -8.441 -1.362 1.00 0.00 O ATOM 0 H GLY A 213 -10.140 -9.949 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -12.078 -8.264 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -12.045 -10.013 -3.804 1.00 0.00 H new ATOM 1075 N ASP A 214 -10.066 -9.579 -1.689 1.00 0.00 N ATOM 1076 CA ASP A 214 -9.678 -9.550 -0.286 1.00 0.00 C ATOM 1077 C ASP A 214 -9.277 -8.139 0.123 1.00 0.00 C ATOM 1078 O ASP A 214 -9.675 -7.649 1.179 1.00 0.00 O ATOM 1079 CB ASP A 214 -8.522 -10.518 -0.033 1.00 0.00 C ATOM 1080 CG ASP A 214 -8.988 -11.955 0.099 1.00 0.00 C ATOM 1081 OD1 ASP A 214 -9.769 -12.408 -0.765 1.00 0.00 O ATOM 1082 OD2 ASP A 214 -8.572 -12.628 1.065 1.00 0.00 O ATOM 0 H ASP A 214 -9.405 -10.060 -2.299 1.00 0.00 H new ATOM 0 HA ASP A 214 -10.533 -9.860 0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 214 -7.805 -10.445 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 214 -7.998 -10.224 0.877 1.00 0.00 H new ATOM 1087 N VAL A 215 -8.494 -7.486 -0.730 1.00 0.00 N ATOM 1088 CA VAL A 215 -8.048 -6.125 -0.467 1.00 0.00 C ATOM 1089 C VAL A 215 -9.206 -5.149 -0.627 1.00 0.00 C ATOM 1090 O VAL A 215 -9.346 -4.200 0.143 1.00 0.00 O ATOM 1091 CB VAL A 215 -6.904 -5.710 -1.411 1.00 0.00 C ATOM 1092 CG1 VAL A 215 -6.369 -4.336 -1.036 1.00 0.00 C ATOM 1093 CG2 VAL A 215 -5.791 -6.746 -1.388 1.00 0.00 C ATOM 0 H VAL A 215 -8.156 -7.878 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 215 -7.678 -6.097 0.558 1.00 0.00 H new ATOM 0 HB VAL A 215 -7.299 -5.655 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 215 -5.562 -4.062 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 215 -7.170 -3.601 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 215 -5.991 -4.359 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 215 -4.991 -6.436 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 215 -5.398 -6.836 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 215 -6.184 -7.710 -1.712 1.00 0.00 H new ATOM 1103 N VAL A 216 -10.041 -5.399 -1.630 1.00 0.00 N ATOM 1104 CA VAL A 216 -11.196 -4.553 -1.893 1.00 0.00 C ATOM 1105 C VAL A 216 -12.206 -4.656 -0.756 1.00 0.00 C ATOM 1106 O VAL A 216 -12.784 -3.654 -0.331 1.00 0.00 O ATOM 1107 CB VAL A 216 -11.883 -4.940 -3.217 1.00 0.00 C ATOM 1108 CG1 VAL A 216 -13.036 -3.996 -3.523 1.00 0.00 C ATOM 1109 CG2 VAL A 216 -10.876 -4.950 -4.357 1.00 0.00 C ATOM 0 H VAL A 216 -9.938 -6.183 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 216 -10.837 -3.527 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 216 -12.290 -5.946 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 216 -13.506 -4.288 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 216 -13.770 -4.046 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 216 -12.659 -2.977 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 216 -11.379 -5.225 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 216 -10.437 -3.958 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 216 -10.090 -5.674 -4.142 1.00 0.00 H new ATOM 1119 N SER A 217 -12.410 -5.873 -0.263 1.00 0.00 N ATOM 1120 CA SER A 217 -13.346 -6.106 0.830 1.00 0.00 C ATOM 1121 C SER A 217 -12.782 -5.578 2.144 1.00 0.00 C ATOM 1122 O SER A 217 -13.521 -5.087 2.997 1.00 0.00 O ATOM 1123 CB SER A 217 -13.657 -7.597 0.958 1.00 0.00 C ATOM 1124 OG SER A 217 -14.391 -8.065 -0.161 1.00 0.00 O ATOM 0 H SER A 217 -11.940 -6.712 -0.603 1.00 0.00 H new ATOM 0 HA SER A 217 -14.269 -5.571 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 217 -12.727 -8.159 1.047 1.00 0.00 H new ATOM 0 HB3 SER A 217 -14.226 -7.776 1.870 1.00 0.00 H new ATOM 0 HG SER A 217 -13.770 -8.334 -0.870 1.00 0.00 H new ATOM 1130 N ALA A 218 -11.466 -5.682 2.299 1.00 0.00 N ATOM 1131 CA ALA A 218 -10.798 -5.216 3.507 1.00 0.00 C ATOM 1132 C ALA A 218 -11.026 -3.722 3.718 1.00 0.00 C ATOM 1133 O ALA A 218 -11.382 -3.288 4.813 1.00 0.00 O ATOM 1134 CB ALA A 218 -9.310 -5.521 3.437 1.00 0.00 C ATOM 0 H ALA A 218 -10.841 -6.086 1.601 1.00 0.00 H new ATOM 0 HA ALA A 218 -11.226 -5.746 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 218 -8.823 -5.168 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 218 -9.163 -6.597 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 218 -8.876 -5.018 2.573 1.00 0.00 H new ATOM 1140 N ILE A 219 -10.821 -2.941 2.662 1.00 0.00 N ATOM 1141 CA ILE A 219 -11.007 -1.496 2.733 1.00 0.00 C ATOM 1142 C ILE A 219 -12.439 -1.151 3.126 1.00 0.00 C ATOM 1143 O ILE A 219 -12.673 -0.255 3.937 1.00 0.00 O ATOM 1144 CB ILE A 219 -10.668 -0.817 1.389 1.00 0.00 C ATOM 1145 CG1 ILE A 219 -9.224 -1.128 0.988 1.00 0.00 C ATOM 1146 CG2 ILE A 219 -10.886 0.688 1.476 1.00 0.00 C ATOM 1147 CD1 ILE A 219 -8.193 -0.493 1.895 1.00 0.00 C ATOM 0 H ILE A 219 -10.526 -3.284 1.748 1.00 0.00 H new ATOM 0 HA ILE A 219 -10.324 -1.122 3.496 1.00 0.00 H new ATOM 0 HB ILE A 219 -11.335 -1.213 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -9.080 -2.208 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -9.058 -0.785 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -10.641 1.147 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -11.929 0.891 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -10.244 1.104 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -7.193 -0.757 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -8.309 0.591 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -8.332 -0.855 2.914 1.00 0.00 H new ATOM 1159 N ARG A 220 -13.393 -1.871 2.548 1.00 0.00 N ATOM 1160 CA ARG A 220 -14.803 -1.644 2.841 1.00 0.00 C ATOM 1161 C ARG A 220 -15.108 -1.958 4.302 1.00 0.00 C ATOM 1162 O ARG A 220 -15.847 -1.230 4.963 1.00 0.00 O ATOM 1163 CB ARG A 220 -15.681 -2.502 1.928 1.00 0.00 C ATOM 1164 CG ARG A 220 -17.165 -2.196 2.051 1.00 0.00 C ATOM 1165 CD ARG A 220 -18.017 -3.271 1.393 1.00 0.00 C ATOM 1166 NE ARG A 220 -18.782 -4.040 2.373 1.00 0.00 N ATOM 1167 CZ ARG A 220 -18.350 -5.165 2.942 1.00 0.00 C ATOM 1168 NH1 ARG A 220 -17.158 -5.663 2.635 1.00 0.00 N ATOM 1169 NH2 ARG A 220 -19.114 -5.794 3.825 1.00 0.00 N ATOM 0 H ARG A 220 -13.216 -2.616 1.874 1.00 0.00 H new ATOM 0 HA ARG A 220 -15.023 -0.592 2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 220 -15.372 -2.352 0.894 1.00 0.00 H new ATOM 0 HB3 ARG A 220 -15.515 -3.554 2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 220 -17.433 -2.113 3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 220 -17.377 -1.231 1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 220 -18.701 -2.807 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 220 -17.376 -3.944 0.825 1.00 0.00 H new ATOM 0 HE ARG A 220 -19.704 -3.694 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 220 -16.564 -5.184 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 220 -16.836 -6.525 3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 220 -20.030 -5.417 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 220 -18.785 -6.655 4.262 1.00 0.00 H new ATOM 1183 N ALA A 221 -14.532 -3.048 4.797 1.00 0.00 N ATOM 1184 CA ALA A 221 -14.737 -3.463 6.180 1.00 0.00 C ATOM 1185 C ALA A 221 -13.771 -2.756 7.132 1.00 0.00 C ATOM 1186 O ALA A 221 -13.732 -3.060 8.324 1.00 0.00 O ATOM 1187 CB ALA A 221 -14.588 -4.972 6.304 1.00 0.00 C ATOM 0 H ALA A 221 -13.918 -3.661 4.260 1.00 0.00 H new ATOM 0 HA ALA A 221 -15.750 -3.178 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -14.743 -5.269 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -15.327 -5.464 5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -13.587 -5.266 5.989 1.00 0.00 H new ATOM 1193 N GLY A 222 -12.988 -1.816 6.603 1.00 0.00 N ATOM 1194 CA GLY A 222 -12.034 -1.096 7.429 1.00 0.00 C ATOM 1195 C GLY A 222 -12.624 0.147 8.073 1.00 0.00 C ATOM 1196 O GLY A 222 -11.887 1.036 8.501 1.00 0.00 O ATOM 0 H GLY A 222 -12.998 -1.542 5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -11.663 -1.761 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -11.177 -0.810 6.819 1.00 0.00 H new ATOM 1200 N GLY A 223 -13.951 0.213 8.147 1.00 0.00 N ATOM 1201 CA GLY A 223 -14.608 1.360 8.751 1.00 0.00 C ATOM 1202 C GLY A 223 -14.106 2.685 8.205 1.00 0.00 C ATOM 1203 O GLY A 223 -13.779 2.793 7.023 1.00 0.00 O ATOM 0 H GLY A 223 -14.583 -0.508 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -15.682 1.287 8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -14.452 1.335 9.830 1.00 0.00 H new ATOM 1207 N ASP A 224 -14.049 3.694 9.069 1.00 0.00 N ATOM 1208 CA ASP A 224 -13.587 5.019 8.669 1.00 0.00 C ATOM 1209 C ASP A 224 -12.065 5.113 8.729 1.00 0.00 C ATOM 1210 O ASP A 224 -11.457 5.922 8.029 1.00 0.00 O ATOM 1211 CB ASP A 224 -14.211 6.090 9.566 1.00 0.00 C ATOM 1212 CG ASP A 224 -15.724 6.104 9.483 1.00 0.00 C ATOM 1213 OD1 ASP A 224 -16.354 5.130 9.946 1.00 0.00 O ATOM 1214 OD2 ASP A 224 -16.281 7.090 8.954 1.00 0.00 O ATOM 0 H ASP A 224 -14.317 3.619 10.050 1.00 0.00 H new ATOM 0 HA ASP A 224 -13.900 5.187 7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 224 -13.908 5.917 10.599 1.00 0.00 H new ATOM 0 HB3 ASP A 224 -13.825 7.069 9.281 1.00 0.00 H new ATOM 1219 N GLU A 225 -11.455 4.281 9.566 1.00 0.00 N ATOM 1220 CA GLU A 225 -10.004 4.274 9.710 1.00 0.00 C ATOM 1221 C GLU A 225 -9.399 3.074 8.988 1.00 0.00 C ATOM 1222 O GLU A 225 -9.644 1.926 9.360 1.00 0.00 O ATOM 1223 CB GLU A 225 -9.617 4.244 11.190 1.00 0.00 C ATOM 1224 CG GLU A 225 -8.186 4.682 11.454 1.00 0.00 C ATOM 1225 CD GLU A 225 -7.904 4.894 12.929 1.00 0.00 C ATOM 1226 OE1 GLU A 225 -8.379 5.906 13.485 1.00 0.00 O ATOM 1227 OE2 GLU A 225 -7.207 4.048 13.528 1.00 0.00 O ATOM 0 H GLU A 225 -11.942 3.604 10.154 1.00 0.00 H new ATOM 0 HA GLU A 225 -9.611 5.186 9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 225 -10.295 4.891 11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 225 -9.755 3.233 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 225 -7.501 3.930 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 225 -7.987 5.607 10.913 1.00 0.00 H new ATOM 1234 N THR A 226 -8.613 3.346 7.951 1.00 0.00 N ATOM 1235 CA THR A 226 -7.982 2.285 7.175 1.00 0.00 C ATOM 1236 C THR A 226 -6.470 2.267 7.385 1.00 0.00 C ATOM 1237 O THR A 226 -5.755 3.142 6.898 1.00 0.00 O ATOM 1238 CB THR A 226 -8.298 2.457 5.689 1.00 0.00 C ATOM 1239 OG1 THR A 226 -9.659 2.804 5.506 1.00 0.00 O ATOM 1240 CG2 THR A 226 -8.027 1.214 4.870 1.00 0.00 C ATOM 0 H THR A 226 -8.398 4.290 7.629 1.00 0.00 H new ATOM 0 HA THR A 226 -8.385 1.334 7.522 1.00 0.00 H new ATOM 0 HB THR A 226 -7.636 3.250 5.342 1.00 0.00 H new ATOM 0 HG1 THR A 226 -10.029 2.294 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 226 -8.273 1.406 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 226 -6.973 0.947 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 226 -8.639 0.393 5.242 1.00 0.00 H new ATOM 1248 N LYS A 227 -5.993 1.258 8.106 1.00 0.00 N ATOM 1249 CA LYS A 227 -4.566 1.113 8.376 1.00 0.00 C ATOM 1250 C LYS A 227 -3.906 0.257 7.301 1.00 0.00 C ATOM 1251 O LYS A 227 -3.994 -0.971 7.333 1.00 0.00 O ATOM 1252 CB LYS A 227 -4.344 0.481 9.752 1.00 0.00 C ATOM 1253 CG LYS A 227 -5.298 0.988 10.820 1.00 0.00 C ATOM 1254 CD LYS A 227 -4.831 0.599 12.213 1.00 0.00 C ATOM 1255 CE LYS A 227 -3.630 1.423 12.650 1.00 0.00 C ATOM 1256 NZ LYS A 227 -4.020 2.524 13.574 1.00 0.00 N ATOM 0 H LYS A 227 -6.575 0.527 8.515 1.00 0.00 H new ATOM 0 HA LYS A 227 -4.113 2.104 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -4.451 -0.600 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -3.320 0.676 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -5.379 2.073 10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -6.294 0.582 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -5.646 0.738 12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -4.572 -0.460 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -2.905 0.775 13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -3.138 1.842 11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -3.174 3.062 13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -4.693 3.157 13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -4.466 2.123 14.423 1.00 0.00 H new ATOM 1270 N LEU A 228 -3.252 0.908 6.345 1.00 0.00 N ATOM 1271 CA LEU A 228 -2.590 0.194 5.258 1.00 0.00 C ATOM 1272 C LEU A 228 -1.073 0.216 5.410 1.00 0.00 C ATOM 1273 O LEU A 228 -0.472 1.268 5.626 1.00 0.00 O ATOM 1274 CB LEU A 228 -2.965 0.809 3.905 1.00 0.00 C ATOM 1275 CG LEU A 228 -4.386 0.526 3.407 1.00 0.00 C ATOM 1276 CD1 LEU A 228 -4.493 0.831 1.922 1.00 0.00 C ATOM 1277 CD2 LEU A 228 -4.782 -0.918 3.678 1.00 0.00 C ATOM 0 H LEU A 228 -3.166 1.923 6.300 1.00 0.00 H new ATOM 0 HA LEU A 228 -2.929 -0.841 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -2.833 1.889 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -2.260 0.447 3.156 1.00 0.00 H new ATOM 0 HG LEU A 228 -5.072 1.174 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -5.508 0.626 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -4.257 1.881 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -3.791 0.205 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -5.795 -1.092 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -4.092 -1.587 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -4.743 -1.111 4.750 1.00 0.00 H new ATOM 1289 N LEU A 229 -0.459 -0.953 5.262 1.00 0.00 N ATOM 1290 CA LEU A 229 0.991 -1.078 5.345 1.00 0.00 C ATOM 1291 C LEU A 229 1.530 -1.543 3.999 1.00 0.00 C ATOM 1292 O LEU A 229 1.309 -2.684 3.598 1.00 0.00 O ATOM 1293 CB LEU A 229 1.386 -2.072 6.439 1.00 0.00 C ATOM 1294 CG LEU A 229 2.881 -2.125 6.762 1.00 0.00 C ATOM 1295 CD1 LEU A 229 3.273 -0.975 7.679 1.00 0.00 C ATOM 1296 CD2 LEU A 229 3.242 -3.462 7.393 1.00 0.00 C ATOM 0 H LEU A 229 -0.946 -1.831 5.083 1.00 0.00 H new ATOM 0 HA LEU A 229 1.418 -0.107 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.842 -1.820 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 229 1.060 -3.068 6.138 1.00 0.00 H new ATOM 0 HG LEU A 229 3.438 -2.023 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 229 4.340 -1.031 7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 229 3.052 -0.027 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 229 2.709 -1.043 8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 229 4.309 -3.483 7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 229 2.676 -3.594 8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.001 -4.268 6.700 1.00 0.00 H new ATOM 1308 N VAL A 230 2.218 -0.654 3.293 1.00 0.00 N ATOM 1309 CA VAL A 230 2.758 -0.988 1.980 1.00 0.00 C ATOM 1310 C VAL A 230 4.281 -1.000 1.974 1.00 0.00 C ATOM 1311 O VAL A 230 4.921 -0.703 2.981 1.00 0.00 O ATOM 1312 CB VAL A 230 2.263 0.003 0.908 1.00 0.00 C ATOM 1313 CG1 VAL A 230 0.747 -0.043 0.797 1.00 0.00 C ATOM 1314 CG2 VAL A 230 2.740 1.414 1.222 1.00 0.00 C ATOM 0 H VAL A 230 2.414 0.297 3.604 1.00 0.00 H new ATOM 0 HA VAL A 230 2.400 -1.991 1.747 1.00 0.00 H new ATOM 0 HB VAL A 230 2.683 -0.292 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 230 0.416 0.663 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 230 0.433 -1.049 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 230 0.304 0.224 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 230 2.381 2.099 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 230 2.352 1.722 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.830 1.433 1.244 1.00 0.00 H new ATOM 1324 N VAL A 231 4.852 -1.343 0.824 1.00 0.00 N ATOM 1325 CA VAL A 231 6.301 -1.391 0.670 1.00 0.00 C ATOM 1326 C VAL A 231 6.751 -0.511 -0.491 1.00 0.00 C ATOM 1327 O VAL A 231 6.057 -0.396 -1.502 1.00 0.00 O ATOM 1328 CB VAL A 231 6.803 -2.828 0.433 1.00 0.00 C ATOM 1329 CG1 VAL A 231 8.308 -2.906 0.632 1.00 0.00 C ATOM 1330 CG2 VAL A 231 6.086 -3.808 1.350 1.00 0.00 C ATOM 0 H VAL A 231 4.331 -1.592 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 231 6.730 -1.020 1.601 1.00 0.00 H new ATOM 0 HB VAL A 231 6.579 -3.104 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 231 8.645 -3.928 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 231 8.803 -2.238 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 231 8.556 -2.608 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 231 6.456 -4.816 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 231 6.273 -3.537 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 231 5.014 -3.773 1.153 1.00 0.00 H new ATOM 1340 N ASP A 232 7.911 0.112 -0.336 1.00 0.00 N ATOM 1341 CA ASP A 232 8.455 0.989 -1.365 1.00 0.00 C ATOM 1342 C ASP A 232 8.998 0.191 -2.545 1.00 0.00 C ATOM 1343 O ASP A 232 10.015 -0.492 -2.431 1.00 0.00 O ATOM 1344 CB ASP A 232 9.565 1.859 -0.778 1.00 0.00 C ATOM 1345 CG ASP A 232 10.094 2.877 -1.770 1.00 0.00 C ATOM 1346 OD1 ASP A 232 9.702 2.813 -2.955 1.00 0.00 O ATOM 1347 OD2 ASP A 232 10.901 3.739 -1.362 1.00 0.00 O ATOM 0 H ASP A 232 8.496 0.026 0.495 1.00 0.00 H new ATOM 0 HA ASP A 232 7.645 1.623 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 232 9.187 2.378 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 232 10.384 1.221 -0.446 1.00 0.00 H new ATOM 1352 N ARG A 233 8.317 0.293 -3.681 1.00 0.00 N ATOM 1353 CA ARG A 233 8.736 -0.407 -4.888 1.00 0.00 C ATOM 1354 C ARG A 233 9.480 0.538 -5.828 1.00 0.00 C ATOM 1355 O ARG A 233 10.296 0.105 -6.641 1.00 0.00 O ATOM 1356 CB ARG A 233 7.526 -1.008 -5.605 1.00 0.00 C ATOM 1357 CG ARG A 233 7.886 -1.760 -6.876 1.00 0.00 C ATOM 1358 CD ARG A 233 6.732 -2.625 -7.358 1.00 0.00 C ATOM 1359 NE ARG A 233 7.118 -3.478 -8.480 1.00 0.00 N ATOM 1360 CZ ARG A 233 7.358 -3.024 -9.709 1.00 0.00 C ATOM 1361 NH1 ARG A 233 7.248 -1.729 -9.979 1.00 0.00 N ATOM 1362 NH2 ARG A 233 7.707 -3.867 -10.670 1.00 0.00 N ATOM 0 H ARG A 233 7.472 0.854 -3.791 1.00 0.00 H new ATOM 0 HA ARG A 233 9.410 -1.212 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 233 7.011 -1.686 -4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 233 6.826 -0.210 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 233 8.159 -1.049 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 233 8.760 -2.386 -6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.377 -3.246 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 233 5.901 -1.987 -7.657 1.00 0.00 H new ATOM 0 HE ARG A 233 7.209 -4.480 -8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 233 6.978 -1.076 -9.243 1.00 0.00 H new ATOM 0 HH12 ARG A 233 7.433 -1.387 -10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 233 7.792 -4.863 -10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 233 7.891 -3.520 -11.611 1.00 0.00 H new