USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 364 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 212 CYS SG : rot -158:sc= -6.83! USER MOD Set 1.2: A 214 ASN : amide:sc= 0.535 K(o=-2.5,f=-6) USER MOD Set 1.3: A 217 CYS SG : rot -167:sc= 1.68 USER MOD Set 1.4: A 239 CYS SG : rot -55:sc= 0.308 USER MOD Set 1.5: A 242 CYS SG : rot 113:sc= 1.79 USER MOD Set 2.1: A 199 CYS SG : rot 10:sc= -1.8! USER MOD Set 2.2: A 201 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 203 GLN : amide:sc= -0.0241 K(o=-2.6,f=-4.1!) USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.546 X(o=-2.6,f=-2.1) USER MOD Set 2.5: A 226 CYS SG : rot 180:sc= -0.198 USER MOD Set 3.1: A 197 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 202 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=-0.45) USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 206 TYR OH : rot 165:sc=-0.00112 USER MOD Single : A 209 MET CE :methyl -151:sc= -0.0191 (180deg=-1.28) USER MOD Single : A 218 SER OG : rot -46:sc= 0.313 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0101) USER MOD Single : A 236 LYS NZ :NH3+ 165:sc= 0.636 (180deg=0.449) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0.0604 K(o=0.06,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 8.960 15.242 7.000 1.00 0.00 N ATOM 135 CA PRO A 196 8.470 16.245 7.939 1.00 0.00 C ATOM 136 C PRO A 196 7.450 17.184 7.276 1.00 0.00 C ATOM 137 O PRO A 196 7.506 17.441 6.073 1.00 0.00 O ATOM 138 CB PRO A 196 9.717 17.006 8.400 1.00 0.00 C ATOM 139 CG PRO A 196 10.646 16.925 7.191 1.00 0.00 C ATOM 140 CD PRO A 196 10.320 15.560 6.585 1.00 0.00 C ATOM 0 HA PRO A 196 7.943 15.790 8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.485 18.039 8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.164 16.548 9.282 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.458 17.734 6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 196 11.694 16.995 7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 196 10.398 15.589 5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 196 11.021 14.802 6.935 1.00 0.00 H new ATOM 148 N THR A 197 6.532 17.717 8.091 1.00 0.00 N ATOM 149 CA THR A 197 5.438 18.590 7.681 1.00 0.00 C ATOM 150 C THR A 197 5.212 19.654 8.763 1.00 0.00 C ATOM 151 O THR A 197 5.815 19.610 9.838 1.00 0.00 O ATOM 152 CB THR A 197 4.153 17.770 7.422 1.00 0.00 C ATOM 153 OG1 THR A 197 3.671 17.189 8.617 1.00 0.00 O ATOM 154 CG2 THR A 197 4.332 16.649 6.390 1.00 0.00 C ATOM 0 H THR A 197 6.536 17.541 9.096 1.00 0.00 H new ATOM 0 HA THR A 197 5.699 19.087 6.746 1.00 0.00 H new ATOM 0 HB THR A 197 3.439 18.490 7.022 1.00 0.00 H new ATOM 0 HG1 THR A 197 2.857 16.677 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 197 3.389 16.118 6.262 1.00 0.00 H new ATOM 0 HG22 THR A 197 4.640 17.078 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.095 15.953 6.738 1.00 0.00 H new ATOM 162 N TYR A 198 4.333 20.614 8.461 1.00 0.00 N ATOM 163 CA TYR A 198 4.081 21.783 9.305 1.00 0.00 C ATOM 164 C TYR A 198 2.589 22.128 9.368 1.00 0.00 C ATOM 165 O TYR A 198 1.980 21.969 10.421 1.00 0.00 O ATOM 166 CB TYR A 198 4.913 22.958 8.769 1.00 0.00 C ATOM 167 CG TYR A 198 6.403 22.848 9.024 1.00 0.00 C ATOM 168 CD1 TYR A 198 6.900 23.029 10.329 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.290 22.569 7.966 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.279 22.942 10.581 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.671 22.475 8.210 1.00 0.00 C ATOM 172 CZ TYR A 198 9.172 22.664 9.519 1.00 0.00 C ATOM 173 OH TYR A 198 10.512 22.579 9.757 1.00 0.00 O ATOM 0 H TYR A 198 3.769 20.600 7.611 1.00 0.00 H new ATOM 0 HA TYR A 198 4.382 21.562 10.329 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.747 23.043 7.695 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.548 23.880 9.221 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.218 23.236 11.140 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.908 22.427 6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 198 8.657 23.087 11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.349 22.258 7.398 1.00 0.00 H new ATOM 0 HH TYR A 198 10.981 22.381 8.920 1.00 0.00 H new ATOM 183 N CYS A 199 2.009 22.568 8.244 1.00 0.00 N ATOM 184 CA CYS A 199 0.610 22.890 8.014 1.00 0.00 C ATOM 185 C CYS A 199 -0.334 21.716 8.253 1.00 0.00 C ATOM 186 O CYS A 199 0.078 20.555 8.249 1.00 0.00 O ATOM 187 CB CYS A 199 0.472 23.352 6.557 1.00 0.00 C ATOM 188 SG CYS A 199 1.344 22.252 5.421 1.00 0.00 S ATOM 0 H CYS A 199 2.564 22.718 7.402 1.00 0.00 H new ATOM 0 HA CYS A 199 0.326 23.665 8.726 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -0.583 23.392 6.286 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.865 24.364 6.457 1.00 0.00 H new ATOM 0 HG CYS A 199 1.728 21.186 6.058 1.00 0.00 H new ATOM 193 N LEU A 200 -1.632 22.044 8.357 1.00 0.00 N ATOM 194 CA LEU A 200 -2.694 21.040 8.317 1.00 0.00 C ATOM 195 C LEU A 200 -2.973 20.567 6.878 1.00 0.00 C ATOM 196 O LEU A 200 -3.835 19.715 6.673 1.00 0.00 O ATOM 197 CB LEU A 200 -3.945 21.463 9.105 1.00 0.00 C ATOM 198 CG LEU A 200 -4.614 22.775 8.677 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.280 22.716 7.293 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.689 23.147 9.711 1.00 0.00 C ATOM 0 H LEU A 200 -1.966 23.001 8.470 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.333 20.159 8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.682 20.664 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.673 21.546 10.157 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.819 23.519 8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.730 23.682 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.531 22.477 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -6.053 21.947 7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.171 24.079 9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.434 22.353 9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.225 23.273 10.689 1.00 0.00 H new ATOM 212 N CYS A 201 -2.248 21.113 5.884 1.00 0.00 N ATOM 213 CA CYS A 201 -2.224 20.602 4.523 1.00 0.00 C ATOM 214 C CYS A 201 -1.343 19.342 4.443 1.00 0.00 C ATOM 215 O CYS A 201 -1.603 18.460 3.628 1.00 0.00 O ATOM 216 CB CYS A 201 -1.677 21.698 3.613 1.00 0.00 C ATOM 217 SG CYS A 201 -2.746 23.165 3.580 1.00 0.00 S ATOM 0 H CYS A 201 -1.657 21.934 6.018 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.230 20.326 4.206 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.681 21.985 3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.570 21.307 2.601 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.229 24.061 2.793 1.00 0.00 H new ATOM 223 N HIS A 202 -0.346 19.261 5.337 1.00 0.00 N ATOM 224 CA HIS A 202 0.494 18.106 5.639 1.00 0.00 C ATOM 225 C HIS A 202 1.510 17.778 4.545 1.00 0.00 C ATOM 226 O HIS A 202 1.616 16.641 4.088 1.00 0.00 O ATOM 227 CB HIS A 202 -0.304 16.908 6.180 1.00 0.00 C ATOM 228 CG HIS A 202 -0.867 17.163 7.555 1.00 0.00 C ATOM 229 ND1 HIS A 202 -0.147 17.305 8.720 1.00 0.00 N ATOM 230 CD2 HIS A 202 -2.187 17.300 7.880 1.00 0.00 C ATOM 231 CE1 HIS A 202 -1.021 17.523 9.717 1.00 0.00 C ATOM 232 NE2 HIS A 202 -2.283 17.529 9.256 1.00 0.00 N ATOM 0 H HIS A 202 -0.091 20.067 5.908 1.00 0.00 H new ATOM 0 HA HIS A 202 1.125 18.403 6.477 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -1.119 16.679 5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 202 0.342 16.030 6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -3.016 17.241 7.191 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -0.746 17.673 10.751 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -3.135 17.671 9.798 1.00 0.00 H new ATOM 240 N GLN A 203 2.275 18.805 4.160 1.00 0.00 N ATOM 241 CA GLN A 203 3.475 18.680 3.349 1.00 0.00 C ATOM 242 C GLN A 203 4.586 19.585 3.915 1.00 0.00 C ATOM 243 O GLN A 203 4.357 20.340 4.865 1.00 0.00 O ATOM 244 CB GLN A 203 3.145 18.879 1.856 1.00 0.00 C ATOM 245 CG GLN A 203 3.150 20.321 1.331 1.00 0.00 C ATOM 246 CD GLN A 203 2.297 21.301 2.125 1.00 0.00 C ATOM 247 OE1 GLN A 203 1.092 21.127 2.274 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.929 22.356 2.631 1.00 0.00 N ATOM 0 H GLN A 203 2.064 19.770 4.415 1.00 0.00 H new ATOM 0 HA GLN A 203 3.876 17.668 3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.861 18.302 1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.160 18.452 1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 203 4.178 20.684 1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.803 20.316 0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.933 22.467 2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.410 23.054 3.164 1.00 0.00 H new ATOM 257 N VAL A 204 5.798 19.478 3.350 1.00 0.00 N ATOM 258 CA VAL A 204 7.007 20.190 3.793 1.00 0.00 C ATOM 259 C VAL A 204 6.851 21.721 3.664 1.00 0.00 C ATOM 260 O VAL A 204 5.854 22.212 3.136 1.00 0.00 O ATOM 261 CB VAL A 204 8.274 19.686 3.040 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.504 19.671 3.969 1.00 0.00 C ATOM 263 CG2 VAL A 204 8.150 18.269 2.450 1.00 0.00 C ATOM 0 H VAL A 204 5.970 18.874 2.546 1.00 0.00 H new ATOM 0 HA VAL A 204 7.140 19.966 4.851 1.00 0.00 H new ATOM 0 HB VAL A 204 8.386 20.394 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 204 10.373 19.315 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.695 20.679 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.314 19.008 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 204 9.078 18.003 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.956 17.557 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.328 18.243 1.735 1.00 0.00 H new ATOM 273 N SER A 205 7.855 22.466 4.149 1.00 0.00 N ATOM 274 CA SER A 205 7.920 23.926 4.237 1.00 0.00 C ATOM 275 C SER A 205 7.526 24.670 2.951 1.00 0.00 C ATOM 276 O SER A 205 7.608 24.141 1.842 1.00 0.00 O ATOM 277 CB SER A 205 9.323 24.343 4.699 1.00 0.00 C ATOM 278 OG SER A 205 10.315 23.903 3.792 1.00 0.00 O ATOM 0 H SER A 205 8.701 22.030 4.515 1.00 0.00 H new ATOM 0 HA SER A 205 7.168 24.222 4.968 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.369 25.428 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.521 23.928 5.687 1.00 0.00 H new ATOM 0 HG SER A 205 11.198 24.184 4.111 1.00 0.00 H new ATOM 284 N TYR A 206 7.127 25.934 3.135 1.00 0.00 N ATOM 285 CA TYR A 206 6.483 26.781 2.135 1.00 0.00 C ATOM 286 C TYR A 206 6.969 28.233 2.249 1.00 0.00 C ATOM 287 O TYR A 206 7.564 28.630 3.251 1.00 0.00 O ATOM 288 CB TYR A 206 4.949 26.664 2.284 1.00 0.00 C ATOM 289 CG TYR A 206 4.438 26.411 3.698 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.292 25.088 4.150 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.160 27.475 4.574 1.00 0.00 C ATOM 292 CE1 TYR A 206 3.883 24.819 5.465 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.770 27.218 5.903 1.00 0.00 C ATOM 294 CZ TYR A 206 3.616 25.887 6.346 1.00 0.00 C ATOM 295 OH TYR A 206 3.227 25.640 7.625 1.00 0.00 O ATOM 0 H TYR A 206 7.252 26.412 4.027 1.00 0.00 H new ATOM 0 HA TYR A 206 6.757 26.442 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 206 4.496 27.583 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 206 4.601 25.855 1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 206 4.497 24.269 3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 206 4.246 28.494 4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 206 3.773 23.798 5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.589 28.038 6.582 1.00 0.00 H new ATOM 0 HH TYR A 206 3.317 26.458 8.158 1.00 0.00 H new ATOM 305 N GLY A 207 6.723 29.011 1.184 1.00 0.00 N ATOM 306 CA GLY A 207 7.276 30.348 0.982 1.00 0.00 C ATOM 307 C GLY A 207 6.878 31.365 2.055 1.00 0.00 C ATOM 308 O GLY A 207 7.739 32.112 2.518 1.00 0.00 O ATOM 0 H GLY A 207 6.116 28.714 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 207 8.363 30.277 0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.953 30.719 0.009 1.00 0.00 H new ATOM 312 N GLU A 208 5.605 31.364 2.476 1.00 0.00 N ATOM 313 CA GLU A 208 5.062 32.290 3.457 1.00 0.00 C ATOM 314 C GLU A 208 4.350 31.520 4.569 1.00 0.00 C ATOM 315 O GLU A 208 3.452 30.717 4.308 1.00 0.00 O ATOM 316 CB GLU A 208 4.170 33.294 2.723 1.00 0.00 C ATOM 317 CG GLU A 208 2.840 32.746 2.165 1.00 0.00 C ATOM 318 CD GLU A 208 2.041 33.753 1.329 1.00 0.00 C ATOM 319 OE1 GLU A 208 2.556 34.863 1.067 1.00 0.00 O ATOM 320 OE2 GLU A 208 0.901 33.386 0.967 1.00 0.00 O ATOM 0 H GLU A 208 4.914 30.699 2.129 1.00 0.00 H new ATOM 0 HA GLU A 208 5.850 32.855 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.943 34.113 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.740 33.717 1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 208 3.051 31.870 1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 208 2.221 32.411 2.998 1.00 0.00 H new ATOM 327 N MET A 209 4.776 31.762 5.816 1.00 0.00 N ATOM 328 CA MET A 209 4.385 30.941 6.959 1.00 0.00 C ATOM 329 C MET A 209 4.072 31.788 8.192 1.00 0.00 C ATOM 330 O MET A 209 4.758 32.774 8.471 1.00 0.00 O ATOM 331 CB MET A 209 5.506 29.945 7.356 1.00 0.00 C ATOM 332 CG MET A 209 6.407 29.367 6.253 1.00 0.00 C ATOM 333 SD MET A 209 7.035 27.667 6.483 1.00 0.00 S ATOM 334 CE MET A 209 7.354 27.566 8.266 1.00 0.00 C ATOM 0 H MET A 209 5.400 32.532 6.056 1.00 0.00 H new ATOM 0 HA MET A 209 3.493 30.402 6.641 1.00 0.00 H new ATOM 0 HB2 MET A 209 6.150 30.444 8.080 1.00 0.00 H new ATOM 0 HB3 MET A 209 5.036 29.107 7.871 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.852 29.397 5.315 1.00 0.00 H new ATOM 0 HG3 MET A 209 7.265 30.030 6.137 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.163 26.859 8.451 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.638 28.549 8.641 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.453 27.229 8.778 1.00 0.00 H new ATOM 344 N ILE A 210 3.096 31.318 8.977 1.00 0.00 N ATOM 345 CA ILE A 210 2.725 31.869 10.278 1.00 0.00 C ATOM 346 C ILE A 210 2.478 30.745 11.286 1.00 0.00 C ATOM 347 O ILE A 210 1.960 29.685 10.942 1.00 0.00 O ATOM 348 CB ILE A 210 1.511 32.808 10.132 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.249 33.547 11.460 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.253 32.086 9.604 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.259 34.701 11.316 1.00 0.00 C ATOM 0 H ILE A 210 2.525 30.516 8.711 1.00 0.00 H new ATOM 0 HA ILE A 210 3.550 32.466 10.666 1.00 0.00 H new ATOM 0 HB ILE A 210 1.756 33.549 9.371 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.868 32.838 12.195 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.192 33.931 11.848 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.568 32.798 9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.463 31.660 8.623 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.025 31.289 10.293 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.116 35.181 12.284 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.649 35.428 10.604 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.696 34.318 10.957 1.00 0.00 H new ATOM 363 N GLY A 211 2.852 31.012 12.541 1.00 0.00 N ATOM 364 CA GLY A 211 2.881 30.050 13.630 1.00 0.00 C ATOM 365 C GLY A 211 1.973 30.460 14.788 1.00 0.00 C ATOM 366 O GLY A 211 1.886 31.634 15.147 1.00 0.00 O ATOM 0 H GLY A 211 3.153 31.943 12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.573 29.073 13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.904 29.945 13.992 1.00 0.00 H new ATOM 370 N CYS A 212 1.290 29.453 15.343 1.00 0.00 N ATOM 371 CA CYS A 212 0.175 29.591 16.282 1.00 0.00 C ATOM 372 C CYS A 212 0.669 29.869 17.697 1.00 0.00 C ATOM 373 O CYS A 212 1.441 29.091 18.257 1.00 0.00 O ATOM 374 CB CYS A 212 -0.759 28.366 16.199 1.00 0.00 C ATOM 375 SG CYS A 212 -0.777 27.575 14.614 1.00 0.00 S ATOM 0 H CYS A 212 1.510 28.478 15.140 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.416 30.460 15.995 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -0.455 27.639 16.952 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.773 28.678 16.449 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.878 26.897 14.480 1.00 0.00 H new ATOM 380 N ASP A 213 0.184 30.982 18.264 1.00 0.00 N ATOM 381 CA ASP A 213 0.580 31.505 19.571 1.00 0.00 C ATOM 382 C ASP A 213 -0.089 30.742 20.741 1.00 0.00 C ATOM 383 O ASP A 213 -0.106 31.224 21.873 1.00 0.00 O ATOM 384 CB ASP A 213 0.318 33.022 19.616 1.00 0.00 C ATOM 385 CG ASP A 213 1.402 33.764 20.410 1.00 0.00 C ATOM 386 OD1 ASP A 213 1.352 33.732 21.659 1.00 0.00 O ATOM 387 OD2 ASP A 213 2.261 34.384 19.746 1.00 0.00 O ATOM 0 H ASP A 213 -0.520 31.561 17.806 1.00 0.00 H new ATOM 0 HA ASP A 213 1.649 31.340 19.705 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.279 33.414 18.600 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.656 33.209 20.068 1.00 0.00 H new ATOM 392 N ASN A 214 -0.674 29.565 20.471 1.00 0.00 N ATOM 393 CA ASN A 214 -1.333 28.730 21.464 1.00 0.00 C ATOM 394 C ASN A 214 -0.313 28.020 22.369 1.00 0.00 C ATOM 395 O ASN A 214 0.740 27.605 21.879 1.00 0.00 O ATOM 396 CB ASN A 214 -2.074 27.581 20.771 1.00 0.00 C ATOM 397 CG ASN A 214 -3.205 27.926 19.813 1.00 0.00 C ATOM 398 OD1 ASN A 214 -3.045 28.636 18.820 1.00 0.00 O ATOM 399 ND2 ASN A 214 -4.338 27.265 20.016 1.00 0.00 N ATOM 0 H ASN A 214 -0.698 29.166 19.533 1.00 0.00 H new ATOM 0 HA ASN A 214 -1.989 29.391 22.030 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -1.338 26.995 20.220 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -2.481 26.932 21.547 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -5.100 27.339 19.342 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -4.447 26.683 20.846 1.00 0.00 H new ATOM 406 N PRO A 215 -0.659 27.758 23.643 1.00 0.00 N ATOM 407 CA PRO A 215 0.073 26.830 24.498 1.00 0.00 C ATOM 408 C PRO A 215 -0.410 25.373 24.276 1.00 0.00 C ATOM 409 O PRO A 215 -0.018 24.490 25.038 1.00 0.00 O ATOM 410 CB PRO A 215 -0.215 27.327 25.918 1.00 0.00 C ATOM 411 CG PRO A 215 -1.649 27.846 25.820 1.00 0.00 C ATOM 412 CD PRO A 215 -1.744 28.382 24.389 1.00 0.00 C ATOM 0 HA PRO A 215 1.142 26.807 24.287 1.00 0.00 H new ATOM 0 HB2 PRO A 215 -0.126 26.526 26.651 1.00 0.00 H new ATOM 0 HB3 PRO A 215 0.478 28.113 26.218 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -2.375 27.053 26.000 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -1.843 28.628 26.554 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -2.710 28.138 23.946 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -1.651 29.468 24.374 1.00 0.00 H new ATOM 420 N ASP A 216 -1.254 25.122 23.252 1.00 0.00 N ATOM 421 CA ASP A 216 -1.982 23.863 23.043 1.00 0.00 C ATOM 422 C ASP A 216 -1.950 23.331 21.601 1.00 0.00 C ATOM 423 O ASP A 216 -2.300 22.170 21.387 1.00 0.00 O ATOM 424 CB ASP A 216 -3.466 24.050 23.417 1.00 0.00 C ATOM 425 CG ASP A 216 -3.712 24.793 24.730 1.00 0.00 C ATOM 426 OD1 ASP A 216 -3.334 24.245 25.787 1.00 0.00 O ATOM 427 OD2 ASP A 216 -4.293 25.898 24.644 1.00 0.00 O ATOM 0 H ASP A 216 -1.450 25.814 22.529 1.00 0.00 H new ATOM 0 HA ASP A 216 -1.471 23.139 23.677 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -3.963 24.591 22.612 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -3.936 23.069 23.479 1.00 0.00 H new ATOM 432 N CYS A 217 -1.592 24.164 20.611 1.00 0.00 N ATOM 433 CA CYS A 217 -1.669 23.817 19.198 1.00 0.00 C ATOM 434 C CYS A 217 -0.696 22.690 18.854 1.00 0.00 C ATOM 435 O CYS A 217 0.466 22.700 19.256 1.00 0.00 O ATOM 436 CB CYS A 217 -1.467 25.057 18.322 1.00 0.00 C ATOM 437 SG CYS A 217 -1.853 24.696 16.588 1.00 0.00 S ATOM 0 H CYS A 217 -1.238 25.106 20.779 1.00 0.00 H new ATOM 0 HA CYS A 217 -2.670 23.439 18.988 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -2.103 25.867 18.679 1.00 0.00 H new ATOM 0 HB3 CYS A 217 -0.436 25.401 18.405 1.00 0.00 H new ATOM 0 HG CYS A 217 -1.412 25.660 15.835 1.00 0.00 H new ATOM 443 N SER A 218 -1.218 21.739 18.076 1.00 0.00 N ATOM 444 CA SER A 218 -0.555 20.494 17.687 1.00 0.00 C ATOM 445 C SER A 218 -0.203 20.484 16.188 1.00 0.00 C ATOM 446 O SER A 218 0.171 19.443 15.649 1.00 0.00 O ATOM 447 CB SER A 218 -1.456 19.318 18.090 1.00 0.00 C ATOM 448 OG SER A 218 -0.762 18.093 17.997 1.00 0.00 O ATOM 0 H SER A 218 -2.156 21.820 17.683 1.00 0.00 H new ATOM 0 HA SER A 218 0.397 20.402 18.209 1.00 0.00 H new ATOM 0 HB2 SER A 218 -1.812 19.461 19.110 1.00 0.00 H new ATOM 0 HB3 SER A 218 -2.335 19.292 17.446 1.00 0.00 H new ATOM 0 HG SER A 218 -0.281 18.054 17.144 1.00 0.00 H new ATOM 454 N ILE A 219 -0.306 21.650 15.533 1.00 0.00 N ATOM 455 CA ILE A 219 0.080 21.886 14.142 1.00 0.00 C ATOM 456 C ILE A 219 1.130 23.013 14.101 1.00 0.00 C ATOM 457 O ILE A 219 2.128 22.866 13.400 1.00 0.00 O ATOM 458 CB ILE A 219 -1.172 22.186 13.278 1.00 0.00 C ATOM 459 CG1 ILE A 219 -2.271 21.097 13.342 1.00 0.00 C ATOM 460 CG2 ILE A 219 -0.803 22.458 11.807 1.00 0.00 C ATOM 461 CD1 ILE A 219 -1.901 19.732 12.745 1.00 0.00 C ATOM 0 H ILE A 219 -0.677 22.488 15.981 1.00 0.00 H new ATOM 0 HA ILE A 219 0.536 20.994 13.713 1.00 0.00 H new ATOM 0 HB ILE A 219 -1.594 23.087 13.723 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -2.550 20.951 14.386 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -3.155 21.470 12.825 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -1.709 22.664 11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.137 23.319 11.752 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.302 21.584 11.390 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -2.745 19.050 12.846 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -1.654 19.851 11.690 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -1.040 19.324 13.275 1.00 0.00 H new ATOM 473 N GLU A 220 0.927 24.064 14.920 1.00 0.00 N ATOM 474 CA GLU A 220 1.778 25.221 15.251 1.00 0.00 C ATOM 475 C GLU A 220 2.447 26.023 14.111 1.00 0.00 C ATOM 476 O GLU A 220 2.988 27.085 14.402 1.00 0.00 O ATOM 477 CB GLU A 220 2.787 24.845 16.353 1.00 0.00 C ATOM 478 CG GLU A 220 3.902 23.895 15.887 1.00 0.00 C ATOM 479 CD GLU A 220 5.021 23.799 16.922 1.00 0.00 C ATOM 480 OE1 GLU A 220 4.814 23.081 17.925 1.00 0.00 O ATOM 481 OE2 GLU A 220 6.067 24.448 16.694 1.00 0.00 O ATOM 0 H GLU A 220 0.046 24.127 15.431 1.00 0.00 H new ATOM 0 HA GLU A 220 1.049 25.950 15.604 1.00 0.00 H new ATOM 0 HB2 GLU A 220 3.240 25.757 16.742 1.00 0.00 H new ATOM 0 HB3 GLU A 220 2.249 24.379 17.179 1.00 0.00 H new ATOM 0 HG2 GLU A 220 3.486 22.904 15.706 1.00 0.00 H new ATOM 0 HG3 GLU A 220 4.310 24.247 14.940 1.00 0.00 H new ATOM 488 N TRP A 221 2.385 25.584 12.848 1.00 0.00 N ATOM 489 CA TRP A 221 2.771 26.313 11.650 1.00 0.00 C ATOM 490 C TRP A 221 1.784 26.038 10.527 1.00 0.00 C ATOM 491 O TRP A 221 1.315 24.918 10.363 1.00 0.00 O ATOM 492 CB TRP A 221 4.113 25.816 11.162 1.00 0.00 C ATOM 493 CG TRP A 221 5.301 26.435 11.779 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.168 25.823 12.606 1.00 0.00 C ATOM 495 CD2 TRP A 221 5.806 27.781 11.566 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.223 26.667 12.853 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.085 27.867 12.179 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.336 28.917 10.873 1.00 0.00 C ATOM 499 CZ2 TRP A 221 7.898 28.994 12.013 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.110 30.088 10.793 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.405 30.118 11.333 1.00 0.00 C ATOM 0 H TRP A 221 2.041 24.649 12.630 1.00 0.00 H new ATOM 0 HA TRP A 221 2.799 27.374 11.900 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.161 24.740 11.330 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.165 25.973 10.085 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.053 24.828 13.010 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.011 26.437 13.459 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.367 28.886 10.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 8.903 28.999 12.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.706 30.968 10.314 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.018 31.001 11.226 1.00 0.00 H new ATOM 512 N PHE A 222 1.473 27.091 9.773 1.00 0.00 N ATOM 513 CA PHE A 222 0.404 27.134 8.776 1.00 0.00 C ATOM 514 C PHE A 222 0.804 28.089 7.654 1.00 0.00 C ATOM 515 O PHE A 222 1.540 29.048 7.884 1.00 0.00 O ATOM 516 CB PHE A 222 -0.905 27.677 9.398 1.00 0.00 C ATOM 517 CG PHE A 222 -1.617 26.796 10.412 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.975 26.468 11.614 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.942 26.354 10.211 1.00 0.00 C ATOM 520 CE1 PHE A 222 -1.577 25.617 12.538 1.00 0.00 C ATOM 521 CE2 PHE A 222 -3.606 25.636 11.228 1.00 0.00 C ATOM 522 CZ PHE A 222 -2.920 25.299 12.408 1.00 0.00 C ATOM 0 H PHE A 222 1.979 27.974 9.843 1.00 0.00 H new ATOM 0 HA PHE A 222 0.247 26.122 8.403 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.680 28.629 9.879 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.602 27.887 8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.000 26.881 11.827 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.447 26.565 9.280 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -0.999 25.206 13.353 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -4.638 25.346 11.100 1.00 0.00 H new ATOM 0 HZ PHE A 222 -3.437 24.794 13.210 1.00 0.00 H new ATOM 532 N HIS A 223 0.266 27.861 6.447 1.00 0.00 N ATOM 533 CA HIS A 223 0.349 28.864 5.389 1.00 0.00 C ATOM 534 C HIS A 223 -0.484 30.085 5.790 1.00 0.00 C ATOM 535 O HIS A 223 -1.487 29.958 6.495 1.00 0.00 O ATOM 536 CB HIS A 223 -0.163 28.329 4.040 1.00 0.00 C ATOM 537 CG HIS A 223 0.455 27.047 3.538 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.043 25.751 3.879 1.00 0.00 N ATOM 539 CD2 HIS A 223 1.384 26.974 2.541 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.749 24.938 3.073 1.00 0.00 C ATOM 541 NE2 HIS A 223 1.561 25.641 2.267 1.00 0.00 N ATOM 0 H HIS A 223 -0.222 27.004 6.187 1.00 0.00 H new ATOM 0 HA HIS A 223 1.399 29.131 5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.240 28.178 4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.005 29.100 3.286 1.00 0.00 H new ATOM 0 HD2 HIS A 223 1.883 27.803 2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 223 0.673 23.861 3.074 1.00 0.00 H new ATOM 0 HE2 HIS A 223 2.198 25.252 1.572 1.00 0.00 H new ATOM 549 N PHE A 224 -0.084 31.258 5.288 1.00 0.00 N ATOM 550 CA PHE A 224 -0.915 32.468 5.338 1.00 0.00 C ATOM 551 C PHE A 224 -2.305 32.162 4.789 1.00 0.00 C ATOM 552 O PHE A 224 -3.299 32.400 5.465 1.00 0.00 O ATOM 553 CB PHE A 224 -0.289 33.598 4.504 1.00 0.00 C ATOM 554 CG PHE A 224 0.933 34.317 5.039 1.00 0.00 C ATOM 555 CD1 PHE A 224 1.538 33.976 6.265 1.00 0.00 C ATOM 556 CD2 PHE A 224 1.472 35.364 4.265 1.00 0.00 C ATOM 557 CE1 PHE A 224 2.705 34.640 6.673 1.00 0.00 C ATOM 558 CE2 PHE A 224 2.650 36.012 4.667 1.00 0.00 C ATOM 559 CZ PHE A 224 3.288 35.617 5.854 1.00 0.00 C ATOM 0 H PHE A 224 0.820 31.396 4.837 1.00 0.00 H new ATOM 0 HA PHE A 224 -0.984 32.789 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.026 33.182 3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.062 34.347 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 224 1.106 33.207 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 224 0.975 35.670 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 224 3.157 34.397 7.623 1.00 0.00 H new ATOM 0 HE2 PHE A 224 3.063 36.809 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 224 4.229 36.066 6.136 1.00 0.00 H new ATOM 569 N ALA A 225 -2.364 31.559 3.601 1.00 0.00 N ATOM 570 CA ALA A 225 -3.606 31.224 2.926 1.00 0.00 C ATOM 571 C ALA A 225 -4.383 30.087 3.612 1.00 0.00 C ATOM 572 O ALA A 225 -5.557 29.895 3.297 1.00 0.00 O ATOM 573 CB ALA A 225 -3.300 30.875 1.466 1.00 0.00 C ATOM 0 H ALA A 225 -1.532 31.287 3.077 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.257 32.096 2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -4.226 30.622 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -2.835 31.731 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -2.621 30.023 1.430 1.00 0.00 H new ATOM 579 N CYS A 226 -3.766 29.361 4.563 1.00 0.00 N ATOM 580 CA CYS A 226 -4.454 28.372 5.394 1.00 0.00 C ATOM 581 C CYS A 226 -5.467 29.014 6.362 1.00 0.00 C ATOM 582 O CYS A 226 -6.366 28.320 6.830 1.00 0.00 O ATOM 583 CB CYS A 226 -3.418 27.539 6.152 1.00 0.00 C ATOM 584 SG CYS A 226 -4.030 25.871 6.487 1.00 0.00 S ATOM 0 H CYS A 226 -2.772 29.449 4.773 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.033 27.724 4.737 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.499 27.481 5.569 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.169 28.032 7.092 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.123 25.197 7.129 1.00 0.00 H new ATOM 590 N VAL A 227 -5.351 30.330 6.615 1.00 0.00 N ATOM 591 CA VAL A 227 -6.272 31.138 7.420 1.00 0.00 C ATOM 592 C VAL A 227 -6.874 32.305 6.625 1.00 0.00 C ATOM 593 O VAL A 227 -7.876 32.887 7.041 1.00 0.00 O ATOM 594 CB VAL A 227 -5.556 31.601 8.709 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.514 32.707 8.484 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.539 32.048 9.803 1.00 0.00 C ATOM 0 H VAL A 227 -4.576 30.880 6.245 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.123 30.519 7.704 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.025 30.711 9.046 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.057 32.976 9.436 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.744 32.348 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.000 33.583 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.982 32.363 10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.138 32.881 9.436 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.195 31.217 10.065 1.00 0.00 H new ATOM 606 N GLY A 228 -6.261 32.615 5.478 1.00 0.00 N ATOM 607 CA GLY A 228 -6.677 33.654 4.546 1.00 0.00 C ATOM 608 C GLY A 228 -5.839 34.934 4.638 1.00 0.00 C ATOM 609 O GLY A 228 -6.305 35.971 4.168 1.00 0.00 O ATOM 0 H GLY A 228 -5.424 32.123 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -6.618 33.264 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -7.722 33.900 4.733 1.00 0.00 H new ATOM 613 N LEU A 229 -4.641 34.893 5.250 1.00 0.00 N ATOM 614 CA LEU A 229 -3.753 36.048 5.328 1.00 0.00 C ATOM 615 C LEU A 229 -3.134 36.373 3.960 1.00 0.00 C ATOM 616 O LEU A 229 -3.040 35.516 3.079 1.00 0.00 O ATOM 617 CB LEU A 229 -2.664 35.820 6.394 1.00 0.00 C ATOM 618 CG LEU A 229 -3.126 36.131 7.831 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.116 35.548 8.826 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.264 37.640 8.086 1.00 0.00 C ATOM 0 H LEU A 229 -4.270 34.056 5.701 1.00 0.00 H new ATOM 0 HA LEU A 229 -4.347 36.911 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -2.332 34.783 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -1.801 36.442 6.157 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.109 35.679 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.440 35.766 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.052 34.468 8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.136 35.994 8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -3.592 37.807 9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -2.301 38.125 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -3.998 38.060 7.398 1.00 0.00 H new ATOM 632 N THR A 230 -2.686 37.628 3.826 1.00 0.00 N ATOM 633 CA THR A 230 -2.104 38.205 2.608 1.00 0.00 C ATOM 634 C THR A 230 -0.847 39.034 2.932 1.00 0.00 C ATOM 635 O THR A 230 0.023 39.178 2.074 1.00 0.00 O ATOM 636 CB THR A 230 -3.174 39.065 1.899 1.00 0.00 C ATOM 637 OG1 THR A 230 -4.322 38.290 1.618 1.00 0.00 O ATOM 638 CG2 THR A 230 -2.695 39.672 0.574 1.00 0.00 C ATOM 0 H THR A 230 -2.721 38.297 4.596 1.00 0.00 H new ATOM 0 HA THR A 230 -1.791 37.401 1.942 1.00 0.00 H new ATOM 0 HB THR A 230 -3.395 39.878 2.591 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.992 38.848 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 230 -3.498 40.262 0.133 1.00 0.00 H new ATOM 0 HG22 THR A 230 -1.833 40.313 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 230 -2.414 38.873 -0.112 1.00 0.00 H new ATOM 646 N THR A 231 -0.723 39.524 4.176 1.00 0.00 N ATOM 647 CA THR A 231 0.420 40.274 4.693 1.00 0.00 C ATOM 648 C THR A 231 0.669 39.793 6.124 1.00 0.00 C ATOM 649 O THR A 231 -0.281 39.603 6.887 1.00 0.00 O ATOM 650 CB THR A 231 0.119 41.787 4.661 1.00 0.00 C ATOM 651 OG1 THR A 231 -0.149 42.208 3.339 1.00 0.00 O ATOM 652 CG2 THR A 231 1.283 42.630 5.196 1.00 0.00 C ATOM 0 H THR A 231 -1.454 39.399 4.877 1.00 0.00 H new ATOM 0 HA THR A 231 1.307 40.107 4.082 1.00 0.00 H new ATOM 0 HB THR A 231 -0.749 41.938 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 231 -0.340 43.169 3.334 1.00 0.00 H new ATOM 0 HG21 THR A 231 1.018 43.686 5.151 1.00 0.00 H new ATOM 0 HG22 THR A 231 1.489 42.351 6.229 1.00 0.00 H new ATOM 0 HG23 THR A 231 2.170 42.452 4.588 1.00 0.00 H new ATOM 660 N LYS A 232 1.945 39.585 6.480 1.00 0.00 N ATOM 661 CA LYS A 232 2.328 38.994 7.757 1.00 0.00 C ATOM 662 C LYS A 232 1.991 39.942 8.927 1.00 0.00 C ATOM 663 O LYS A 232 2.451 41.085 8.918 1.00 0.00 O ATOM 664 CB LYS A 232 3.826 38.646 7.740 1.00 0.00 C ATOM 665 CG LYS A 232 4.147 37.609 8.827 1.00 0.00 C ATOM 666 CD LYS A 232 5.618 37.172 8.783 1.00 0.00 C ATOM 667 CE LYS A 232 5.889 36.018 9.756 1.00 0.00 C ATOM 668 NZ LYS A 232 5.709 36.423 11.164 1.00 0.00 N ATOM 0 H LYS A 232 2.738 39.825 5.884 1.00 0.00 H new ATOM 0 HA LYS A 232 1.758 38.077 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 232 4.104 38.254 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 232 4.417 39.547 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.922 38.029 9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.505 36.737 8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.877 36.864 7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 232 6.258 38.018 9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.219 35.189 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 232 6.906 35.654 9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 5.952 35.627 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 6.330 37.230 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 4.718 36.698 11.322 1.00 0.00 H new ATOM 682 N PRO A 233 1.229 39.488 9.944 1.00 0.00 N ATOM 683 CA PRO A 233 0.956 40.243 11.165 1.00 0.00 C ATOM 684 C PRO A 233 2.159 40.198 12.129 1.00 0.00 C ATOM 685 O PRO A 233 3.245 39.732 11.774 1.00 0.00 O ATOM 686 CB PRO A 233 -0.300 39.577 11.745 1.00 0.00 C ATOM 687 CG PRO A 233 -0.097 38.112 11.381 1.00 0.00 C ATOM 688 CD PRO A 233 0.560 38.196 10.004 1.00 0.00 C ATOM 0 HA PRO A 233 0.795 41.306 10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.374 39.720 12.823 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.212 39.981 11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.539 37.600 12.103 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.041 37.569 11.347 1.00 0.00 H new ATOM 0 HD2 PRO A 233 1.273 37.383 9.864 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.184 38.107 9.213 1.00 0.00 H new ATOM 696 N ARG A 234 1.957 40.678 13.364 1.00 0.00 N ATOM 697 CA ARG A 234 2.949 40.700 14.425 1.00 0.00 C ATOM 698 C ARG A 234 2.238 40.407 15.747 1.00 0.00 C ATOM 699 O ARG A 234 1.142 40.906 16.006 1.00 0.00 O ATOM 700 CB ARG A 234 3.630 42.079 14.459 1.00 0.00 C ATOM 701 CG ARG A 234 5.017 42.070 15.125 1.00 0.00 C ATOM 702 CD ARG A 234 6.107 41.417 14.260 1.00 0.00 C ATOM 703 NE ARG A 234 6.339 42.173 13.018 1.00 0.00 N ATOM 704 CZ ARG A 234 7.292 41.922 12.109 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.161 40.920 12.259 1.00 0.00 N ATOM 706 NH2 ARG A 234 7.378 42.695 11.027 1.00 0.00 N ATOM 0 H ARG A 234 1.062 41.074 13.653 1.00 0.00 H new ATOM 0 HA ARG A 234 3.719 39.947 14.255 1.00 0.00 H new ATOM 0 HB2 ARG A 234 3.729 42.450 13.439 1.00 0.00 H new ATOM 0 HB3 ARG A 234 2.986 42.779 14.991 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.309 43.095 15.351 1.00 0.00 H new ATOM 0 HG3 ARG A 234 4.952 41.540 16.075 1.00 0.00 H new ATOM 0 HD2 ARG A 234 7.035 41.356 14.828 1.00 0.00 H new ATOM 0 HD3 ARG A 234 5.815 40.396 14.016 1.00 0.00 H new ATOM 0 HE ARG A 234 5.717 42.960 12.832 1.00 0.00 H new ATOM 0 HH11 ARG A 234 8.111 40.320 13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 234 8.875 40.754 11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 234 6.724 43.467 10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 234 8.098 42.515 10.328 1.00 0.00 H new ATOM 720 N GLY A 235 2.896 39.596 16.573 1.00 0.00 N ATOM 721 CA GLY A 235 2.408 39.174 17.880 1.00 0.00 C ATOM 722 C GLY A 235 1.411 38.014 17.794 1.00 0.00 C ATOM 723 O GLY A 235 1.377 37.275 16.809 1.00 0.00 O ATOM 0 H GLY A 235 3.809 39.204 16.343 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.254 38.875 18.500 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.932 40.020 18.376 1.00 0.00 H new ATOM 727 N LYS A 236 0.618 37.867 18.865 1.00 0.00 N ATOM 728 CA LYS A 236 -0.379 36.826 19.075 1.00 0.00 C ATOM 729 C LYS A 236 -1.336 36.675 17.895 1.00 0.00 C ATOM 730 O LYS A 236 -2.074 37.595 17.542 1.00 0.00 O ATOM 731 CB LYS A 236 -1.141 37.103 20.388 1.00 0.00 C ATOM 732 CG LYS A 236 -0.486 36.338 21.542 1.00 0.00 C ATOM 733 CD LYS A 236 -0.959 36.787 22.930 1.00 0.00 C ATOM 734 CE LYS A 236 -0.519 35.798 24.020 1.00 0.00 C ATOM 735 NZ LYS A 236 0.935 35.538 24.008 1.00 0.00 N ATOM 0 H LYS A 236 0.664 38.515 19.651 1.00 0.00 H new ATOM 0 HA LYS A 236 0.144 35.873 19.154 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -1.139 38.172 20.601 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.183 36.801 20.285 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.693 35.274 21.424 1.00 0.00 H new ATOM 0 HG3 LYS A 236 0.595 36.461 21.480 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.557 37.776 23.150 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -2.045 36.876 22.935 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -0.805 36.190 24.996 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -1.052 34.857 23.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 1.213 35.079 24.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 1.170 34.915 23.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 1.448 36.437 23.908 1.00 0.00 H new ATOM 749 N TRP A 237 -1.331 35.460 17.342 1.00 0.00 N ATOM 750 CA TRP A 237 -2.218 34.991 16.296 1.00 0.00 C ATOM 751 C TRP A 237 -2.653 33.562 16.616 1.00 0.00 C ATOM 752 O TRP A 237 -1.844 32.727 17.022 1.00 0.00 O ATOM 753 CB TRP A 237 -1.469 35.048 14.965 1.00 0.00 C ATOM 754 CG TRP A 237 -2.138 34.365 13.815 1.00 0.00 C ATOM 755 CD1 TRP A 237 -3.042 34.895 12.974 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.969 32.989 13.383 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.462 33.936 12.067 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.826 32.726 12.277 1.00 0.00 C ATOM 759 CE3 TRP A 237 -1.156 31.942 13.839 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.886 31.454 11.674 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -1.215 30.673 13.245 1.00 0.00 C ATOM 762 CH2 TRP A 237 -2.089 30.415 12.192 1.00 0.00 C ATOM 0 H TRP A 237 -0.667 34.743 17.635 1.00 0.00 H new ATOM 0 HA TRP A 237 -3.108 35.617 16.230 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.313 36.094 14.702 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.483 34.604 15.104 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.390 35.917 13.001 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.154 34.101 11.336 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.475 32.115 14.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.533 31.279 10.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.573 29.884 13.609 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -2.155 29.421 11.774 1.00 0.00 H new ATOM 773 N PHE A 238 -3.940 33.287 16.389 1.00 0.00 N ATOM 774 CA PHE A 238 -4.563 31.990 16.614 1.00 0.00 C ATOM 775 C PHE A 238 -5.137 31.493 15.286 1.00 0.00 C ATOM 776 O PHE A 238 -5.870 32.200 14.595 1.00 0.00 O ATOM 777 CB PHE A 238 -5.620 32.078 17.733 1.00 0.00 C ATOM 778 CG PHE A 238 -5.098 31.810 19.143 1.00 0.00 C ATOM 779 CD1 PHE A 238 -4.012 32.540 19.671 1.00 0.00 C ATOM 780 CD2 PHE A 238 -5.705 30.820 19.943 1.00 0.00 C ATOM 781 CE1 PHE A 238 -3.516 32.254 20.956 1.00 0.00 C ATOM 782 CE2 PHE A 238 -5.213 30.535 21.229 1.00 0.00 C ATOM 783 CZ PHE A 238 -4.112 31.247 21.733 1.00 0.00 C ATOM 0 H PHE A 238 -4.593 33.985 16.033 1.00 0.00 H new ATOM 0 HA PHE A 238 -3.826 31.265 16.960 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -6.067 33.072 17.711 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -6.416 31.366 17.516 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.558 33.325 19.084 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -6.557 30.275 19.564 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.676 32.809 21.346 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -5.681 29.769 21.829 1.00 0.00 H new ATOM 0 HZ PHE A 238 -3.725 31.021 22.715 1.00 0.00 H new ATOM 793 N CYS A 239 -4.738 30.260 14.953 1.00 0.00 N ATOM 794 CA CYS A 239 -4.994 29.541 13.708 1.00 0.00 C ATOM 795 C CYS A 239 -6.490 29.336 13.388 1.00 0.00 C ATOM 796 O CYS A 239 -7.332 29.679 14.218 1.00 0.00 O ATOM 797 CB CYS A 239 -4.110 28.288 13.765 1.00 0.00 C ATOM 798 SG CYS A 239 -4.731 27.018 14.891 1.00 0.00 S ATOM 0 H CYS A 239 -4.185 29.699 15.601 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.715 30.127 12.833 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -4.027 27.866 12.764 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -3.105 28.576 14.073 1.00 0.00 H new ATOM 0 HG CYS A 239 -4.906 27.533 16.072 1.00 0.00 H new ATOM 804 N PRO A 240 -6.866 28.821 12.195 1.00 0.00 N ATOM 805 CA PRO A 240 -8.252 28.849 11.754 1.00 0.00 C ATOM 806 C PRO A 240 -9.178 28.020 12.636 1.00 0.00 C ATOM 807 O PRO A 240 -10.260 28.496 12.942 1.00 0.00 O ATOM 808 CB PRO A 240 -8.270 28.373 10.297 1.00 0.00 C ATOM 809 CG PRO A 240 -7.002 27.535 10.197 1.00 0.00 C ATOM 810 CD PRO A 240 -6.042 28.240 11.148 1.00 0.00 C ATOM 0 HA PRO A 240 -8.640 29.865 11.834 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -9.161 27.786 10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.257 29.210 9.598 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -7.178 26.502 10.496 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.615 27.511 9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -5.320 27.538 11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.473 29.010 10.627 1.00 0.00 H new ATOM 818 N ARG A 241 -8.749 26.850 13.122 1.00 0.00 N ATOM 819 CA ARG A 241 -9.554 26.012 14.010 1.00 0.00 C ATOM 820 C ARG A 241 -9.369 26.374 15.487 1.00 0.00 C ATOM 821 O ARG A 241 -9.680 25.580 16.375 1.00 0.00 O ATOM 822 CB ARG A 241 -9.347 24.528 13.676 1.00 0.00 C ATOM 823 CG ARG A 241 -10.005 24.260 12.312 1.00 0.00 C ATOM 824 CD ARG A 241 -10.108 22.782 11.941 1.00 0.00 C ATOM 825 NE ARG A 241 -11.063 22.635 10.832 1.00 0.00 N ATOM 826 CZ ARG A 241 -10.777 22.483 9.532 1.00 0.00 C ATOM 827 NH1 ARG A 241 -9.534 22.260 9.097 1.00 0.00 N ATOM 828 NH2 ARG A 241 -11.768 22.570 8.646 1.00 0.00 N ATOM 0 H ARG A 241 -7.831 26.459 12.909 1.00 0.00 H new ATOM 0 HA ARG A 241 -10.609 26.218 13.828 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -8.284 24.288 13.642 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -9.791 23.897 14.446 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -11.006 24.692 12.314 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -9.436 24.777 11.540 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -9.130 22.397 11.650 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -10.437 22.199 12.801 1.00 0.00 H new ATOM 0 HE ARG A 241 -12.052 22.650 11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -8.764 22.200 9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -9.355 22.149 8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -12.721 22.749 8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -11.574 22.458 7.651 1.00 0.00 H new ATOM 842 N CYS A 242 -8.888 27.599 15.731 1.00 0.00 N ATOM 843 CA CYS A 242 -8.646 28.178 17.028 1.00 0.00 C ATOM 844 C CYS A 242 -9.231 29.591 17.183 1.00 0.00 C ATOM 845 O CYS A 242 -9.247 30.098 18.305 1.00 0.00 O ATOM 846 CB CYS A 242 -7.134 28.230 17.217 1.00 0.00 C ATOM 847 SG CYS A 242 -6.488 26.627 17.762 1.00 0.00 S ATOM 0 H CYS A 242 -8.648 28.238 14.973 1.00 0.00 H new ATOM 0 HA CYS A 242 -9.140 27.563 17.781 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -6.657 28.518 16.280 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -6.882 28.995 17.951 1.00 0.00 H new ATOM 0 HG CYS A 242 -5.744 26.118 16.825 1.00 0.00 H new ATOM 853 N SER A 243 -9.699 30.228 16.097 1.00 0.00 N ATOM 854 CA SER A 243 -10.373 31.528 16.155 1.00 0.00 C ATOM 855 C SER A 243 -11.284 31.790 14.947 1.00 0.00 C ATOM 856 O SER A 243 -12.378 32.325 15.126 1.00 0.00 O ATOM 857 CB SER A 243 -9.307 32.631 16.252 1.00 0.00 C ATOM 858 OG SER A 243 -9.908 33.891 16.462 1.00 0.00 O ATOM 0 H SER A 243 -9.618 29.851 15.153 1.00 0.00 H new ATOM 0 HA SER A 243 -11.018 31.527 17.034 1.00 0.00 H new ATOM 0 HB2 SER A 243 -8.621 32.409 17.070 1.00 0.00 H new ATOM 0 HB3 SER A 243 -8.716 32.653 15.337 1.00 0.00 H new ATOM 0 HG SER A 243 -9.213 34.579 16.522 1.00 0.00 H new ATOM 864 N GLN A 244 -10.857 31.401 13.736 1.00 0.00 N ATOM 865 CA GLN A 244 -11.631 31.598 12.498 1.00 0.00 C ATOM 866 C GLN A 244 -12.812 30.608 12.374 1.00 0.00 C ATOM 867 O GLN A 244 -13.710 30.809 11.558 1.00 0.00 O ATOM 868 CB GLN A 244 -10.684 31.466 11.287 1.00 0.00 C ATOM 869 CG GLN A 244 -11.116 32.233 10.028 1.00 0.00 C ATOM 870 CD GLN A 244 -10.757 33.720 10.093 1.00 0.00 C ATOM 871 OE1 GLN A 244 -11.273 34.459 10.926 1.00 0.00 O ATOM 872 NE2 GLN A 244 -9.862 34.176 9.216 1.00 0.00 N ATOM 0 H GLN A 244 -9.960 30.938 13.586 1.00 0.00 H new ATOM 0 HA GLN A 244 -12.067 32.597 12.527 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.694 31.813 11.582 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.589 30.410 11.034 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -10.642 31.786 9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.193 32.128 9.895 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -9.448 33.541 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -9.592 35.159 9.228 1.00 0.00 H new ATOM 881 N GLU A 245 -12.800 29.546 13.189 1.00 0.00 N ATOM 882 CA GLU A 245 -13.725 28.424 13.220 1.00 0.00 C ATOM 883 C GLU A 245 -13.706 27.900 14.659 1.00 0.00 C ATOM 884 O GLU A 245 -12.655 27.846 15.304 1.00 0.00 O ATOM 885 CB GLU A 245 -13.260 27.340 12.228 1.00 0.00 C ATOM 886 CG GLU A 245 -14.230 26.158 12.064 1.00 0.00 C ATOM 887 CD GLU A 245 -13.655 25.057 11.158 1.00 0.00 C ATOM 888 OE1 GLU A 245 -13.177 25.393 10.052 1.00 0.00 O ATOM 889 OE2 GLU A 245 -13.691 23.880 11.581 1.00 0.00 O ATOM 0 H GLU A 245 -12.077 29.449 13.902 1.00 0.00 H new ATOM 0 HA GLU A 245 -14.734 28.715 12.928 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -13.104 27.802 11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -12.294 26.956 12.557 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -14.457 25.738 13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -15.170 26.517 11.645 1.00 0.00 H new