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 -54:sc= -6.68! USER MOD Set 1.2: A 214 ASN : amide:sc= 0.118 K(o=-3.1,f=-6.6!) USER MOD Set 1.3: A 217 CYS SG : rot -168:sc= 1.47 USER MOD Set 1.4: A 239 CYS SG : rot 153:sc= 0.541 USER MOD Set 1.5: A 242 CYS SG : rot 109:sc= 1.5 USER MOD Set 2.1: A 199 CYS SG : rot -154:sc= 0.408 USER MOD Set 2.2: A 201 CYS SG : rot 113:sc= 0.0462 USER MOD Set 2.3: A 226 CYS SG : rot 139:sc= 0.755 USER MOD Set 3.1: A 206 TYR OH : rot 167:sc= 0.00525 USER MOD Set 3.2: A 209 MET CE :methyl -169:sc= -0.14 (180deg=-0.551) USER MOD Set 4.1: A 203 GLN :FLIP amide:sc= -2.31 X(o=-3.7!,f=-3.3) USER MOD Set 4.2: A 223 HIS :FLIP no HE2:sc= -1.01 F(o=-3.9,f=-3.3) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot -37:sc= 0.184 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0.275 X(o=0.28,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 10.578 16.973 4.863 1.00 0.00 N ATOM 135 CA PRO A 196 9.905 17.748 5.899 1.00 0.00 C ATOM 136 C PRO A 196 8.700 18.501 5.316 1.00 0.00 C ATOM 137 O PRO A 196 8.660 18.802 4.122 1.00 0.00 O ATOM 138 CB PRO A 196 10.969 18.714 6.428 1.00 0.00 C ATOM 139 CG PRO A 196 11.844 18.973 5.203 1.00 0.00 C ATOM 140 CD PRO A 196 11.808 17.639 4.457 1.00 0.00 C ATOM 0 HA PRO A 196 9.508 17.118 6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.525 19.634 6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.541 18.275 7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.451 19.786 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.860 19.249 5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.826 17.797 3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.678 17.032 4.705 1.00 0.00 H new ATOM 148 N THR A 197 7.727 18.831 6.174 1.00 0.00 N ATOM 149 CA THR A 197 6.484 19.488 5.795 1.00 0.00 C ATOM 150 C THR A 197 6.068 20.497 6.873 1.00 0.00 C ATOM 151 O THR A 197 6.677 20.577 7.941 1.00 0.00 O ATOM 152 CB THR A 197 5.368 18.451 5.538 1.00 0.00 C ATOM 153 OG1 THR A 197 5.090 17.707 6.707 1.00 0.00 O ATOM 154 CG2 THR A 197 5.684 17.476 4.396 1.00 0.00 C ATOM 0 H THR A 197 7.790 18.641 7.174 1.00 0.00 H new ATOM 0 HA THR A 197 6.647 20.031 4.864 1.00 0.00 H new ATOM 0 HB THR A 197 4.497 19.035 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 197 4.379 17.058 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.856 16.778 4.274 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.828 18.034 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 197 6.593 16.923 4.631 1.00 0.00 H new ATOM 162 N TYR A 198 5.025 21.278 6.562 1.00 0.00 N ATOM 163 CA TYR A 198 4.622 22.451 7.339 1.00 0.00 C ATOM 164 C TYR A 198 3.105 22.522 7.564 1.00 0.00 C ATOM 165 O TYR A 198 2.673 22.092 8.628 1.00 0.00 O ATOM 166 CB TYR A 198 5.179 23.702 6.656 1.00 0.00 C ATOM 167 CG TYR A 198 6.697 23.744 6.588 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.441 24.189 7.697 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.364 23.311 5.424 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.846 24.205 7.648 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.769 23.312 5.373 1.00 0.00 C ATOM 172 CZ TYR A 198 9.516 23.762 6.485 1.00 0.00 C ATOM 173 OH TYR A 198 10.879 23.764 6.432 1.00 0.00 O ATOM 0 H TYR A 198 4.431 21.108 5.751 1.00 0.00 H new ATOM 0 HA TYR A 198 5.043 22.376 8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.778 23.760 5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.825 24.584 7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.930 24.520 8.589 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.794 22.978 4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.413 24.555 8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.277 22.969 4.484 1.00 0.00 H new ATOM 0 HH TYR A 198 11.173 23.427 5.560 1.00 0.00 H new ATOM 183 N CYS A 199 2.310 23.059 6.613 1.00 0.00 N ATOM 184 CA CYS A 199 0.859 23.233 6.745 1.00 0.00 C ATOM 185 C CYS A 199 0.124 21.932 7.066 1.00 0.00 C ATOM 186 O CYS A 199 0.669 20.838 6.933 1.00 0.00 O ATOM 187 CB CYS A 199 0.212 23.999 5.561 1.00 0.00 C ATOM 188 SG CYS A 199 -1.277 24.884 6.146 1.00 0.00 S ATOM 0 H CYS A 199 2.672 23.388 5.718 1.00 0.00 H new ATOM 0 HA CYS A 199 0.736 23.877 7.615 1.00 0.00 H new ATOM 0 HB2 CYS A 199 0.926 24.706 5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -0.055 23.303 4.766 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.100 25.052 5.154 1.00 0.00 H new ATOM 193 N LEU A 200 -1.155 22.081 7.431 1.00 0.00 N ATOM 194 CA LEU A 200 -2.112 20.982 7.599 1.00 0.00 C ATOM 195 C LEU A 200 -2.273 20.129 6.329 1.00 0.00 C ATOM 196 O LEU A 200 -2.842 19.041 6.376 1.00 0.00 O ATOM 197 CB LEU A 200 -3.454 21.536 8.113 1.00 0.00 C ATOM 198 CG LEU A 200 -4.199 22.416 7.085 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.241 21.630 6.272 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.910 23.585 7.779 1.00 0.00 C ATOM 0 H LEU A 200 -1.564 22.996 7.623 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.713 20.298 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.096 20.702 8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.274 22.121 9.015 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.435 22.786 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.732 22.300 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.746 20.827 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.984 21.205 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.427 24.190 7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.633 23.197 8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.176 24.200 8.300 1.00 0.00 H new ATOM 212 N CYS A 201 -1.750 20.638 5.207 1.00 0.00 N ATOM 213 CA CYS A 201 -1.709 20.010 3.898 1.00 0.00 C ATOM 214 C CYS A 201 -0.616 18.938 3.776 1.00 0.00 C ATOM 215 O CYS A 201 -0.671 18.119 2.860 1.00 0.00 O ATOM 216 CB CYS A 201 -1.366 21.121 2.914 1.00 0.00 C ATOM 217 SG CYS A 201 -2.614 22.436 2.893 1.00 0.00 S ATOM 0 H CYS A 201 -1.317 21.562 5.198 1.00 0.00 H new ATOM 0 HA CYS A 201 -2.666 19.522 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.397 21.547 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.270 20.699 1.913 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.101 23.529 3.375 1.00 0.00 H new ATOM 223 N HIS A 202 0.374 18.972 4.679 1.00 0.00 N ATOM 224 CA HIS A 202 1.580 18.154 4.686 1.00 0.00 C ATOM 225 C HIS A 202 2.377 18.305 3.382 1.00 0.00 C ATOM 226 O HIS A 202 2.564 17.340 2.642 1.00 0.00 O ATOM 227 CB HIS A 202 1.273 16.699 5.088 1.00 0.00 C ATOM 228 CG HIS A 202 0.538 16.529 6.401 1.00 0.00 C ATOM 229 ND1 HIS A 202 -0.188 15.423 6.777 1.00 0.00 N ATOM 230 CD2 HIS A 202 0.467 17.418 7.443 1.00 0.00 C ATOM 231 CE1 HIS A 202 -0.681 15.651 8.007 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.312 16.860 8.459 1.00 0.00 N ATOM 0 H HIS A 202 0.345 19.614 5.471 1.00 0.00 H new ATOM 0 HA HIS A 202 2.246 18.528 5.464 1.00 0.00 H new ATOM 0 HB2 HIS A 202 0.681 16.239 4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 202 2.213 16.149 5.143 1.00 0.00 H new ATOM 0 HD2 HIS A 202 0.937 18.390 7.473 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -1.293 14.953 8.559 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -0.551 17.282 9.356 1.00 0.00 H new ATOM 240 N GLN A 203 2.839 19.539 3.119 1.00 0.00 N ATOM 241 CA GLN A 203 3.671 19.901 1.979 1.00 0.00 C ATOM 242 C GLN A 203 4.958 20.626 2.403 1.00 0.00 C ATOM 243 O GLN A 203 5.034 21.198 3.490 1.00 0.00 O ATOM 244 CB GLN A 203 2.846 20.683 0.935 1.00 0.00 C ATOM 245 CG GLN A 203 2.744 22.212 1.107 1.00 0.00 C ATOM 246 CD GLN A 203 1.948 22.690 2.321 1.00 0.00 C ATOM 247 OE1 GLN A 203 2.501 22.578 3.524 1.00 0.00 O flip ATOM 248 NE2 GLN A 203 0.848 23.223 2.181 1.00 0.00 N flip ATOM 0 H GLN A 203 2.631 20.335 3.722 1.00 0.00 H new ATOM 0 HA GLN A 203 4.008 18.983 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.272 20.483 -0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.835 20.277 0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.753 22.620 1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.289 22.631 0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 203 0.434 23.303 1.252 1.00 0.00 H new ATOM 0 HE22 GLN A 203 0.350 23.585 2.994 1.00 0.00 H new ATOM 257 N VAL A 204 5.958 20.604 1.512 1.00 0.00 N ATOM 258 CA VAL A 204 7.302 21.169 1.697 1.00 0.00 C ATOM 259 C VAL A 204 7.267 22.714 1.719 1.00 0.00 C ATOM 260 O VAL A 204 6.202 23.323 1.607 1.00 0.00 O ATOM 261 CB VAL A 204 8.275 20.637 0.598 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.698 20.422 1.152 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.849 19.304 -0.044 1.00 0.00 C ATOM 0 H VAL A 204 5.846 20.170 0.596 1.00 0.00 H new ATOM 0 HA VAL A 204 7.676 20.842 2.668 1.00 0.00 H new ATOM 0 HB VAL A 204 8.248 21.418 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 204 10.346 20.051 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 204 10.089 21.368 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.667 19.695 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 204 8.583 19.011 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.788 18.533 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.874 19.423 -0.516 1.00 0.00 H new ATOM 273 N SER A 205 8.449 23.336 1.862 1.00 0.00 N ATOM 274 CA SER A 205 8.700 24.780 1.860 1.00 0.00 C ATOM 275 C SER A 205 7.948 25.538 0.753 1.00 0.00 C ATOM 276 O SER A 205 7.702 25.011 -0.333 1.00 0.00 O ATOM 277 CB SER A 205 10.210 25.042 1.799 1.00 0.00 C ATOM 278 OG SER A 205 10.760 24.630 0.564 1.00 0.00 O ATOM 0 H SER A 205 9.310 22.804 1.990 1.00 0.00 H new ATOM 0 HA SER A 205 8.301 25.176 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 205 10.402 26.105 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 205 10.705 24.513 2.613 1.00 0.00 H new ATOM 0 HG SER A 205 11.723 24.813 0.558 1.00 0.00 H new ATOM 284 N TYR A 206 7.588 26.790 1.062 1.00 0.00 N ATOM 285 CA TYR A 206 6.647 27.600 0.293 1.00 0.00 C ATOM 286 C TYR A 206 6.917 29.103 0.455 1.00 0.00 C ATOM 287 O TYR A 206 7.679 29.523 1.327 1.00 0.00 O ATOM 288 CB TYR A 206 5.212 27.227 0.719 1.00 0.00 C ATOM 289 CG TYR A 206 4.899 27.305 2.210 1.00 0.00 C ATOM 290 CD1 TYR A 206 5.426 26.344 3.098 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.049 28.309 2.713 1.00 0.00 C ATOM 292 CE1 TYR A 206 5.159 26.411 4.470 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.702 28.317 4.076 1.00 0.00 C ATOM 294 CZ TYR A 206 4.258 27.371 4.960 1.00 0.00 C ATOM 295 OH TYR A 206 3.952 27.401 6.283 1.00 0.00 O ATOM 0 H TYR A 206 7.957 27.278 1.879 1.00 0.00 H new ATOM 0 HA TYR A 206 6.776 27.387 -0.768 1.00 0.00 H new ATOM 0 HB2 TYR A 206 4.519 27.882 0.191 1.00 0.00 H new ATOM 0 HB3 TYR A 206 5.010 26.210 0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 206 6.044 25.546 2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.664 29.072 2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.644 25.727 5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.005 29.053 4.448 1.00 0.00 H new ATOM 0 HH TYR A 206 3.488 28.238 6.492 1.00 0.00 H new ATOM 305 N GLY A 207 6.284 29.902 -0.417 1.00 0.00 N ATOM 306 CA GLY A 207 6.565 31.322 -0.598 1.00 0.00 C ATOM 307 C GLY A 207 6.163 32.208 0.582 1.00 0.00 C ATOM 308 O GLY A 207 6.988 32.999 1.037 1.00 0.00 O ATOM 0 H GLY A 207 5.543 29.562 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 207 7.632 31.447 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.045 31.671 -1.490 1.00 0.00 H new ATOM 312 N GLU A 208 4.926 32.071 1.086 1.00 0.00 N ATOM 313 CA GLU A 208 4.355 32.969 2.081 1.00 0.00 C ATOM 314 C GLU A 208 3.812 32.164 3.260 1.00 0.00 C ATOM 315 O GLU A 208 3.006 31.252 3.078 1.00 0.00 O ATOM 316 CB GLU A 208 3.321 33.871 1.396 1.00 0.00 C ATOM 317 CG GLU A 208 1.891 33.328 1.196 1.00 0.00 C ATOM 318 CD GLU A 208 1.758 32.025 0.398 1.00 0.00 C ATOM 319 OE1 GLU A 208 2.515 31.846 -0.582 1.00 0.00 O ATOM 320 OE2 GLU A 208 0.873 31.227 0.781 1.00 0.00 O ATOM 0 H GLU A 208 4.293 31.322 0.805 1.00 0.00 H new ATOM 0 HA GLU A 208 5.112 33.628 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.248 34.792 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.714 34.141 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.445 33.173 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.302 34.096 0.695 1.00 0.00 H new ATOM 327 N MET A 209 4.274 32.496 4.473 1.00 0.00 N ATOM 328 CA MET A 209 4.066 31.637 5.637 1.00 0.00 C ATOM 329 C MET A 209 3.806 32.416 6.924 1.00 0.00 C ATOM 330 O MET A 209 4.422 33.454 7.174 1.00 0.00 O ATOM 331 CB MET A 209 5.304 30.734 5.878 1.00 0.00 C ATOM 332 CG MET A 209 6.191 30.387 4.667 1.00 0.00 C ATOM 333 SD MET A 209 7.346 28.981 4.812 1.00 0.00 S ATOM 334 CE MET A 209 7.499 28.691 6.598 1.00 0.00 C ATOM 0 H MET A 209 4.793 33.352 4.669 1.00 0.00 H new ATOM 0 HA MET A 209 3.181 31.044 5.405 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.932 31.220 6.624 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.955 29.799 6.316 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.534 30.191 3.820 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.776 31.273 4.419 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.318 27.997 6.785 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.701 29.635 7.104 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.570 28.267 6.979 1.00 0.00 H new ATOM 344 N ILE A 210 2.958 31.825 7.775 1.00 0.00 N ATOM 345 CA ILE A 210 2.666 32.278 9.136 1.00 0.00 C ATOM 346 C ILE A 210 2.683 31.085 10.097 1.00 0.00 C ATOM 347 O ILE A 210 2.375 29.962 9.707 1.00 0.00 O ATOM 348 CB ILE A 210 1.328 33.049 9.165 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.123 33.750 10.523 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.123 32.164 8.778 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.016 34.805 10.484 1.00 0.00 C ATOM 0 H ILE A 210 2.437 30.985 7.522 1.00 0.00 H new ATOM 0 HA ILE A 210 3.438 32.971 9.470 1.00 0.00 H new ATOM 0 HB ILE A 210 1.387 33.823 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.881 33.003 11.279 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.057 34.221 10.828 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.791 32.757 8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.264 31.778 7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.044 31.331 9.477 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.083 35.265 11.467 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.268 35.570 9.749 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.927 34.333 10.208 1.00 0.00 H new ATOM 363 N GLY A 211 3.039 31.348 11.358 1.00 0.00 N ATOM 364 CA GLY A 211 3.301 30.338 12.374 1.00 0.00 C ATOM 365 C GLY A 211 2.499 30.571 13.653 1.00 0.00 C ATOM 366 O GLY A 211 2.336 31.704 14.105 1.00 0.00 O ATOM 0 H GLY A 211 3.155 32.300 11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 211 3.061 29.353 11.973 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.365 30.334 12.612 1.00 0.00 H new ATOM 370 N CYS A 212 1.988 29.463 14.206 1.00 0.00 N ATOM 371 CA CYS A 212 0.992 29.428 15.279 1.00 0.00 C ATOM 372 C CYS A 212 1.626 29.716 16.640 1.00 0.00 C ATOM 373 O CYS A 212 2.577 29.049 17.042 1.00 0.00 O ATOM 374 CB CYS A 212 0.217 28.094 15.250 1.00 0.00 C ATOM 375 SG CYS A 212 -0.027 27.417 13.630 1.00 0.00 S ATOM 0 H CYS A 212 2.270 28.530 13.904 1.00 0.00 H new ATOM 0 HA CYS A 212 0.268 30.225 15.109 1.00 0.00 H new ATOM 0 HB2 CYS A 212 0.753 27.364 15.857 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.756 28.244 15.717 1.00 0.00 H new ATOM 0 HG CYS A 212 -0.598 28.304 12.871 1.00 0.00 H new ATOM 380 N ASP A 213 1.060 30.709 17.340 1.00 0.00 N ATOM 381 CA ASP A 213 1.528 31.246 18.619 1.00 0.00 C ATOM 382 C ASP A 213 1.336 30.273 19.804 1.00 0.00 C ATOM 383 O ASP A 213 1.686 30.607 20.935 1.00 0.00 O ATOM 384 CB ASP A 213 0.789 32.578 18.848 1.00 0.00 C ATOM 385 CG ASP A 213 1.333 33.399 20.017 1.00 0.00 C ATOM 386 OD1 ASP A 213 2.435 33.965 19.848 1.00 0.00 O ATOM 387 OD2 ASP A 213 0.623 33.480 21.043 1.00 0.00 O ATOM 0 H ASP A 213 0.219 31.182 17.009 1.00 0.00 H new ATOM 0 HA ASP A 213 2.606 31.400 18.570 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.849 33.176 17.939 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.267 32.370 19.024 1.00 0.00 H new ATOM 392 N ASN A 214 0.781 29.075 19.565 1.00 0.00 N ATOM 393 CA ASN A 214 0.477 28.102 20.604 1.00 0.00 C ATOM 394 C ASN A 214 1.757 27.540 21.247 1.00 0.00 C ATOM 395 O ASN A 214 2.749 27.338 20.545 1.00 0.00 O ATOM 396 CB ASN A 214 -0.236 26.884 20.003 1.00 0.00 C ATOM 397 CG ASN A 214 -1.534 27.124 19.239 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.597 27.890 18.278 1.00 0.00 O ATOM 399 ND2 ASN A 214 -2.552 26.332 19.556 1.00 0.00 N ATOM 0 H ASN A 214 0.530 28.759 18.628 1.00 0.00 H new ATOM 0 HA ASN A 214 -0.137 28.625 21.337 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.462 26.386 19.329 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.449 26.187 20.814 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.406 26.352 18.999 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.480 25.704 20.357 1.00 0.00 H new ATOM 406 N PRO A 215 1.712 27.169 22.540 1.00 0.00 N ATOM 407 CA PRO A 215 2.751 26.376 23.191 1.00 0.00 C ATOM 408 C PRO A 215 2.553 24.862 22.932 1.00 0.00 C ATOM 409 O PRO A 215 3.239 24.052 23.555 1.00 0.00 O ATOM 410 CB PRO A 215 2.588 26.711 24.678 1.00 0.00 C ATOM 411 CG PRO A 215 1.074 26.861 24.824 1.00 0.00 C ATOM 412 CD PRO A 215 0.666 27.508 23.499 1.00 0.00 C ATOM 0 HA PRO A 215 3.748 26.604 22.815 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.980 25.920 25.317 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.114 27.627 24.947 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.585 25.898 24.971 1.00 0.00 H new ATOM 0 HG3 PRO A 215 0.810 27.486 25.677 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -0.303 27.135 23.166 1.00 0.00 H new ATOM 0 HD3 PRO A 215 0.572 28.589 23.606 1.00 0.00 H new ATOM 420 N ASP A 216 1.611 24.479 22.047 1.00 0.00 N ATOM 421 CA ASP A 216 1.130 23.104 21.888 1.00 0.00 C ATOM 422 C ASP A 216 0.785 22.701 20.439 1.00 0.00 C ATOM 423 O ASP A 216 0.583 21.515 20.183 1.00 0.00 O ATOM 424 CB ASP A 216 -0.099 22.964 22.808 1.00 0.00 C ATOM 425 CG ASP A 216 -0.680 21.551 22.857 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.002 20.672 23.433 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.800 21.379 22.327 1.00 0.00 O ATOM 0 H ASP A 216 1.158 25.136 21.412 1.00 0.00 H new ATOM 0 HA ASP A 216 1.936 22.422 22.160 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.179 23.267 23.817 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.873 23.653 22.470 1.00 0.00 H new ATOM 432 N CYS A 217 0.725 23.647 19.486 1.00 0.00 N ATOM 433 CA CYS A 217 0.402 23.362 18.091 1.00 0.00 C ATOM 434 C CYS A 217 1.438 22.420 17.479 1.00 0.00 C ATOM 435 O CYS A 217 2.645 22.621 17.605 1.00 0.00 O ATOM 436 CB CYS A 217 0.243 24.653 17.283 1.00 0.00 C ATOM 437 SG CYS A 217 -0.387 24.315 15.618 1.00 0.00 S ATOM 0 H CYS A 217 0.901 24.635 19.670 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.560 22.851 18.058 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.438 25.328 17.802 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.204 25.162 17.214 1.00 0.00 H new ATOM 0 HG CYS A 217 -0.279 25.385 14.888 1.00 0.00 H new ATOM 443 N SER A 218 0.910 21.398 16.805 1.00 0.00 N ATOM 444 CA SER A 218 1.654 20.268 16.246 1.00 0.00 C ATOM 445 C SER A 218 1.817 20.390 14.721 1.00 0.00 C ATOM 446 O SER A 218 2.376 19.498 14.084 1.00 0.00 O ATOM 447 CB SER A 218 0.938 18.976 16.666 1.00 0.00 C ATOM 448 OG SER A 218 1.734 17.835 16.424 1.00 0.00 O ATOM 0 H SER A 218 -0.092 21.332 16.626 1.00 0.00 H new ATOM 0 HA SER A 218 2.671 20.256 16.639 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.688 19.027 17.726 1.00 0.00 H new ATOM 0 HB3 SER A 218 -0.001 18.887 16.120 1.00 0.00 H new ATOM 0 HG SER A 218 2.240 17.959 15.594 1.00 0.00 H new ATOM 454 N ILE A 219 1.359 21.513 14.149 1.00 0.00 N ATOM 455 CA ILE A 219 1.501 21.868 12.740 1.00 0.00 C ATOM 456 C ILE A 219 2.399 23.114 12.631 1.00 0.00 C ATOM 457 O ILE A 219 3.299 23.121 11.796 1.00 0.00 O ATOM 458 CB ILE A 219 0.105 22.063 12.096 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.859 20.865 12.278 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.215 22.412 10.600 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.413 19.538 11.646 1.00 0.00 C ATOM 0 H ILE A 219 0.860 22.225 14.683 1.00 0.00 H new ATOM 0 HA ILE A 219 1.983 21.064 12.184 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.330 22.900 12.641 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -1.008 20.704 13.346 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.827 21.137 11.858 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.783 22.541 10.182 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.780 23.337 10.483 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.726 21.605 10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.165 18.773 11.837 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.294 19.669 10.570 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.538 19.229 12.081 1.00 0.00 H new ATOM 473 N GLU A 220 2.188 24.091 13.537 1.00 0.00 N ATOM 474 CA GLU A 220 2.938 25.326 13.838 1.00 0.00 C ATOM 475 C GLU A 220 3.389 26.251 12.685 1.00 0.00 C ATOM 476 O GLU A 220 3.837 27.356 12.978 1.00 0.00 O ATOM 477 CB GLU A 220 4.104 25.017 14.796 1.00 0.00 C ATOM 478 CG GLU A 220 5.241 24.205 14.152 1.00 0.00 C ATOM 479 CD GLU A 220 6.502 24.227 15.014 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.520 23.488 16.023 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.429 24.983 14.650 1.00 0.00 O ATOM 0 H GLU A 220 1.380 24.021 14.156 1.00 0.00 H new ATOM 0 HA GLU A 220 2.172 25.947 14.303 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.510 25.956 15.174 1.00 0.00 H new ATOM 0 HB3 GLU A 220 3.720 24.467 15.655 1.00 0.00 H new ATOM 0 HG2 GLU A 220 4.916 23.175 14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.466 24.611 13.166 1.00 0.00 H new ATOM 488 N TRP A 221 3.248 25.864 11.412 1.00 0.00 N ATOM 489 CA TRP A 221 3.462 26.672 10.224 1.00 0.00 C ATOM 490 C TRP A 221 2.396 26.343 9.191 1.00 0.00 C ATOM 491 O TRP A 221 2.065 25.181 8.979 1.00 0.00 O ATOM 492 CB TRP A 221 4.799 26.325 9.603 1.00 0.00 C ATOM 493 CG TRP A 221 5.981 26.995 10.189 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.935 26.406 10.937 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.374 28.388 10.040 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.921 27.322 11.217 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.654 28.550 10.639 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.795 29.521 9.425 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.358 29.757 10.559 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.467 30.756 9.401 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.757 30.871 9.948 1.00 0.00 C ATOM 0 H TRP A 221 2.962 24.913 11.178 1.00 0.00 H new ATOM 0 HA TRP A 221 3.426 27.723 10.509 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.943 25.247 9.678 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.758 26.568 8.541 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.926 25.377 11.265 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.747 27.121 11.781 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.821 29.437 8.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.356 29.832 10.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.990 31.619 8.961 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.284 31.812 9.899 1.00 0.00 H new ATOM 512 N PHE A 222 1.865 27.396 8.571 1.00 0.00 N ATOM 513 CA PHE A 222 0.688 27.366 7.707 1.00 0.00 C ATOM 514 C PHE A 222 0.863 28.371 6.571 1.00 0.00 C ATOM 515 O PHE A 222 1.543 29.386 6.727 1.00 0.00 O ATOM 516 CB PHE A 222 -0.596 27.746 8.486 1.00 0.00 C ATOM 517 CG PHE A 222 -1.103 26.749 9.518 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.286 26.395 10.600 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.410 26.219 9.457 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.701 25.448 11.533 1.00 0.00 C ATOM 521 CE2 PHE A 222 -2.883 25.384 10.492 1.00 0.00 C ATOM 522 CZ PHE A 222 -2.023 25.024 11.546 1.00 0.00 C ATOM 0 H PHE A 222 2.261 28.332 8.662 1.00 0.00 H new ATOM 0 HA PHE A 222 0.587 26.351 7.322 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.416 28.694 8.992 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.392 27.917 7.762 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.680 26.864 10.712 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.048 26.453 8.618 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.004 25.044 12.245 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -3.901 25.023 10.475 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.390 24.420 12.362 1.00 0.00 H new ATOM 532 N HIS A 223 0.191 28.111 5.443 1.00 0.00 N ATOM 533 CA HIS A 223 0.071 29.106 4.381 1.00 0.00 C ATOM 534 C HIS A 223 -0.857 30.226 4.836 1.00 0.00 C ATOM 535 O HIS A 223 -1.807 30.000 5.589 1.00 0.00 O ATOM 536 CB HIS A 223 -0.461 28.485 3.078 1.00 0.00 C ATOM 537 CG HIS A 223 0.516 27.619 2.321 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.948 27.873 1.050 1.00 0.00 N flip ATOM 539 CD2 HIS A 223 1.110 26.435 2.780 1.00 0.00 C flip ATOM 540 CE1 HIS A 223 1.826 26.873 0.726 1.00 0.00 C flip ATOM 541 NE2 HIS A 223 1.928 26.051 1.783 1.00 0.00 N flip ATOM 0 H HIS A 223 -0.274 27.225 5.247 1.00 0.00 H new ATOM 0 HA HIS A 223 1.065 29.505 4.177 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.341 27.887 3.315 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.790 29.290 2.421 1.00 0.00 H new ATOM 0 HD1 HIS A 223 0.671 28.655 0.457 1.00 0.00 H new ATOM 0 HD2 HIS A 223 0.947 25.940 3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 223 2.345 26.765 -0.215 1.00 0.00 H new ATOM 549 N PHE A 224 -0.588 31.431 4.324 1.00 0.00 N ATOM 550 CA PHE A 224 -1.522 32.550 4.429 1.00 0.00 C ATOM 551 C PHE A 224 -2.892 32.122 3.921 1.00 0.00 C ATOM 552 O PHE A 224 -3.875 32.246 4.638 1.00 0.00 O ATOM 553 CB PHE A 224 -1.039 33.760 3.612 1.00 0.00 C ATOM 554 CG PHE A 224 0.145 34.560 4.121 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.772 34.287 5.352 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.647 35.587 3.297 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.940 34.979 5.705 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.830 36.259 3.643 1.00 0.00 C ATOM 559 CZ PHE A 224 2.503 35.912 4.823 1.00 0.00 C ATOM 0 H PHE A 224 0.276 31.655 3.830 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.582 32.841 5.478 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.792 33.405 2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.880 34.445 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.356 33.548 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 224 0.119 35.858 2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.408 34.792 6.660 1.00 0.00 H new ATOM 0 HE2 PHE A 224 2.219 37.038 3.004 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.457 36.364 5.053 1.00 0.00 H new ATOM 569 N ALA A 225 -2.945 31.547 2.722 1.00 0.00 N ATOM 570 CA ALA A 225 -4.183 31.134 2.091 1.00 0.00 C ATOM 571 C ALA A 225 -4.841 29.923 2.771 1.00 0.00 C ATOM 572 O ALA A 225 -6.021 29.682 2.519 1.00 0.00 O ATOM 573 CB ALA A 225 -3.916 30.853 0.609 1.00 0.00 C ATOM 0 H ALA A 225 -2.116 31.355 2.160 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.897 31.951 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -4.842 30.541 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.542 31.757 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.174 30.060 0.517 1.00 0.00 H new ATOM 579 N CYS A 226 -4.135 29.184 3.650 1.00 0.00 N ATOM 580 CA CYS A 226 -4.717 28.127 4.448 1.00 0.00 C ATOM 581 C CYS A 226 -5.508 28.664 5.658 1.00 0.00 C ATOM 582 O CYS A 226 -6.197 27.878 6.305 1.00 0.00 O ATOM 583 CB CYS A 226 -3.570 27.215 4.875 1.00 0.00 C ATOM 584 SG CYS A 226 -3.277 25.939 3.612 1.00 0.00 S ATOM 0 H CYS A 226 -3.137 29.318 3.815 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.451 27.576 3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.665 27.803 5.025 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.806 26.745 5.830 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.998 25.772 3.453 1.00 0.00 H new ATOM 590 N VAL A 227 -5.457 29.981 5.925 1.00 0.00 N ATOM 591 CA VAL A 227 -6.295 30.704 6.889 1.00 0.00 C ATOM 592 C VAL A 227 -7.089 31.844 6.231 1.00 0.00 C ATOM 593 O VAL A 227 -7.999 32.407 6.838 1.00 0.00 O ATOM 594 CB VAL A 227 -5.430 31.174 8.078 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.449 32.312 7.759 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.279 31.569 9.299 1.00 0.00 C ATOM 0 H VAL A 227 -4.797 30.597 5.450 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.052 30.022 7.276 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.830 30.295 8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -3.888 32.571 8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.758 31.989 6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.004 33.184 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.624 31.892 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -6.950 32.384 9.027 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.865 30.711 9.627 1.00 0.00 H new ATOM 606 N GLY A 228 -6.750 32.156 4.977 1.00 0.00 N ATOM 607 CA GLY A 228 -7.387 33.175 4.151 1.00 0.00 C ATOM 608 C GLY A 228 -6.683 34.536 4.213 1.00 0.00 C ATOM 609 O GLY A 228 -7.294 35.536 3.837 1.00 0.00 O ATOM 0 H GLY A 228 -5.989 31.681 4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.409 32.832 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.423 33.295 4.469 1.00 0.00 H new ATOM 613 N LEU A 229 -5.431 34.590 4.698 1.00 0.00 N ATOM 614 CA LEU A 229 -4.643 35.813 4.750 1.00 0.00 C ATOM 615 C LEU A 229 -4.218 36.259 3.344 1.00 0.00 C ATOM 616 O LEU A 229 -4.124 35.460 2.412 1.00 0.00 O ATOM 617 CB LEU A 229 -3.412 35.632 5.665 1.00 0.00 C ATOM 618 CG LEU A 229 -3.636 36.046 7.132 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.441 35.585 7.979 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.791 37.568 7.290 1.00 0.00 C ATOM 0 H LEU A 229 -4.942 33.774 5.066 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.270 36.598 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.107 34.586 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.585 36.215 5.259 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.560 35.574 7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.597 35.877 9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.348 34.501 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.529 36.050 7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -3.947 37.811 8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -2.889 38.065 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.647 37.909 6.708 1.00 0.00 H new ATOM 632 N THR A 230 -3.919 37.559 3.242 1.00 0.00 N ATOM 633 CA THR A 230 -3.431 38.248 2.042 1.00 0.00 C ATOM 634 C THR A 230 -2.193 39.108 2.386 1.00 0.00 C ATOM 635 O THR A 230 -1.555 39.664 1.494 1.00 0.00 O ATOM 636 CB THR A 230 -4.596 39.075 1.446 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.695 38.227 1.172 1.00 0.00 O ATOM 638 CG2 THR A 230 -4.264 39.807 0.140 1.00 0.00 C ATOM 0 H THR A 230 -4.016 38.192 4.036 1.00 0.00 H new ATOM 0 HA THR A 230 -3.103 37.533 1.287 1.00 0.00 H new ATOM 0 HB THR A 230 -4.817 39.827 2.203 1.00 0.00 H new ATOM 0 HG1 THR A 230 -6.430 38.755 0.797 1.00 0.00 H new ATOM 0 HG21 THR A 230 -5.140 40.359 -0.201 1.00 0.00 H new ATOM 0 HG22 THR A 230 -3.442 40.502 0.311 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.974 39.082 -0.620 1.00 0.00 H new ATOM 646 N THR A 231 -1.831 39.182 3.676 1.00 0.00 N ATOM 647 CA THR A 231 -0.733 39.966 4.238 1.00 0.00 C ATOM 648 C THR A 231 -0.053 39.156 5.356 1.00 0.00 C ATOM 649 O THR A 231 -0.418 38.004 5.606 1.00 0.00 O ATOM 650 CB THR A 231 -1.262 41.316 4.776 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.220 41.104 5.795 1.00 0.00 O ATOM 652 CG2 THR A 231 -1.880 42.204 3.690 1.00 0.00 C ATOM 0 H THR A 231 -2.332 38.661 4.396 1.00 0.00 H new ATOM 0 HA THR A 231 0.001 40.180 3.461 1.00 0.00 H new ATOM 0 HB THR A 231 -0.391 41.839 5.172 1.00 0.00 H new ATOM 0 HG1 THR A 231 -2.543 41.968 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 231 -2.230 43.134 4.137 1.00 0.00 H new ATOM 0 HG22 THR A 231 -1.130 42.426 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 231 -2.720 41.684 3.229 1.00 0.00 H new ATOM 660 N LYS A 232 0.919 39.772 6.046 1.00 0.00 N ATOM 661 CA LYS A 232 1.624 39.174 7.174 1.00 0.00 C ATOM 662 C LYS A 232 1.507 40.107 8.392 1.00 0.00 C ATOM 663 O LYS A 232 2.102 41.186 8.377 1.00 0.00 O ATOM 664 CB LYS A 232 3.089 38.900 6.798 1.00 0.00 C ATOM 665 CG LYS A 232 3.733 37.939 7.814 1.00 0.00 C ATOM 666 CD LYS A 232 5.183 37.575 7.474 1.00 0.00 C ATOM 667 CE LYS A 232 6.111 38.788 7.589 1.00 0.00 C ATOM 668 NZ LYS A 232 7.513 38.419 7.315 1.00 0.00 N ATOM 0 H LYS A 232 1.237 40.716 5.826 1.00 0.00 H new ATOM 0 HA LYS A 232 1.174 38.216 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.140 38.470 5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.645 39.837 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.703 38.395 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.140 37.026 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.528 36.788 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.230 37.175 6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.792 39.560 6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 232 6.034 39.214 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 8.117 39.261 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 7.823 37.700 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 7.589 38.035 6.351 1.00 0.00 H new ATOM 682 N PRO A 233 0.762 39.719 9.448 1.00 0.00 N ATOM 683 CA PRO A 233 0.690 40.466 10.701 1.00 0.00 C ATOM 684 C PRO A 233 1.979 40.298 11.525 1.00 0.00 C ATOM 685 O PRO A 233 2.876 39.535 11.157 1.00 0.00 O ATOM 686 CB PRO A 233 -0.536 39.891 11.423 1.00 0.00 C ATOM 687 CG PRO A 233 -0.540 38.430 10.983 1.00 0.00 C ATOM 688 CD PRO A 233 -0.041 38.506 9.541 1.00 0.00 C ATOM 0 HA PRO A 233 0.595 41.540 10.541 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.448 39.986 12.505 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.453 40.403 11.131 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.114 37.819 11.605 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.537 37.993 11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.552 37.627 9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.877 38.539 8.842 1.00 0.00 H new ATOM 696 N ARG A 234 2.043 40.986 12.672 1.00 0.00 N ATOM 697 CA ARG A 234 3.093 40.832 13.666 1.00 0.00 C ATOM 698 C ARG A 234 2.445 40.870 15.047 1.00 0.00 C ATOM 699 O ARG A 234 1.611 41.725 15.345 1.00 0.00 O ATOM 700 CB ARG A 234 4.148 41.931 13.505 1.00 0.00 C ATOM 701 CG ARG A 234 5.457 41.576 14.225 1.00 0.00 C ATOM 702 CD ARG A 234 6.475 42.715 14.088 1.00 0.00 C ATOM 703 NE ARG A 234 7.806 42.325 14.583 1.00 0.00 N ATOM 704 CZ ARG A 234 8.193 42.258 15.866 1.00 0.00 C ATOM 705 NH1 ARG A 234 7.365 42.551 16.871 1.00 0.00 N ATOM 706 NH2 ARG A 234 9.441 41.888 16.149 1.00 0.00 N ATOM 0 H ARG A 234 1.344 41.681 12.934 1.00 0.00 H new ATOM 0 HA ARG A 234 3.607 39.880 13.535 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.348 42.090 12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.759 42.869 13.901 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.258 41.384 15.279 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.871 40.659 13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 234 6.549 43.011 13.042 1.00 0.00 H new ATOM 0 HD3 ARG A 234 6.123 43.585 14.642 1.00 0.00 H new ATOM 0 HE ARG A 234 8.504 42.081 13.880 1.00 0.00 H new ATOM 0 HH11 ARG A 234 6.406 42.836 16.675 1.00 0.00 H new ATOM 0 HH12 ARG A 234 7.692 42.490 17.835 1.00 0.00 H new ATOM 0 HH21 ARG A 234 10.089 41.660 15.395 1.00 0.00 H new ATOM 0 HH22 ARG A 234 9.749 41.833 17.120 1.00 0.00 H new ATOM 720 N GLY A 235 2.842 39.892 15.856 1.00 0.00 N ATOM 721 CA GLY A 235 2.239 39.556 17.140 1.00 0.00 C ATOM 722 C GLY A 235 1.626 38.153 17.104 1.00 0.00 C ATOM 723 O GLY A 235 1.830 37.393 16.154 1.00 0.00 O ATOM 0 H GLY A 235 3.628 39.285 15.623 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.993 39.608 17.925 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.470 40.287 17.388 1.00 0.00 H new ATOM 727 N LYS A 236 0.871 37.817 18.157 1.00 0.00 N ATOM 728 CA LYS A 236 0.169 36.554 18.295 1.00 0.00 C ATOM 729 C LYS A 236 -0.901 36.387 17.214 1.00 0.00 C ATOM 730 O LYS A 236 -1.684 37.290 16.919 1.00 0.00 O ATOM 731 CB LYS A 236 -0.396 36.415 19.722 1.00 0.00 C ATOM 732 CG LYS A 236 -1.487 37.424 20.131 1.00 0.00 C ATOM 733 CD LYS A 236 -2.908 36.860 19.979 1.00 0.00 C ATOM 734 CE LYS A 236 -3.938 37.935 20.328 1.00 0.00 C ATOM 735 NZ LYS A 236 -5.315 37.433 20.170 1.00 0.00 N ATOM 0 H LYS A 236 0.734 38.439 18.953 1.00 0.00 H new ATOM 0 HA LYS A 236 0.877 35.739 18.144 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.803 35.410 19.831 1.00 0.00 H new ATOM 0 HB3 LYS A 236 0.431 36.503 20.426 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.329 37.723 21.167 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.391 38.323 19.522 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -3.063 36.514 18.957 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -3.037 35.996 20.631 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -3.786 38.267 21.355 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -3.790 38.804 19.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -5.989 38.186 20.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -5.466 37.139 19.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -5.462 36.619 20.800 1.00 0.00 H new ATOM 749 N TRP A 237 -0.916 35.177 16.662 1.00 0.00 N ATOM 750 CA TRP A 237 -1.873 34.653 15.709 1.00 0.00 C ATOM 751 C TRP A 237 -2.131 33.180 16.027 1.00 0.00 C ATOM 752 O TRP A 237 -1.220 32.438 16.391 1.00 0.00 O ATOM 753 CB TRP A 237 -1.287 34.804 14.305 1.00 0.00 C ATOM 754 CG TRP A 237 -2.012 34.088 13.209 1.00 0.00 C ATOM 755 CD1 TRP A 237 -3.029 34.555 12.465 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.777 32.736 12.732 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.455 33.580 11.577 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.711 32.421 11.705 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.842 31.753 13.086 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.729 31.155 11.082 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.854 30.496 12.465 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.803 30.180 11.497 1.00 0.00 C ATOM 0 H TRP A 237 -0.200 34.488 16.892 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.817 35.195 15.766 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.255 35.865 14.059 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.256 34.450 14.323 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.452 35.545 12.547 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.220 33.702 10.913 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.104 31.966 13.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.441 30.938 10.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.114 29.760 12.743 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.829 29.190 11.066 1.00 0.00 H new ATOM 773 N PHE A 238 -3.383 32.760 15.834 1.00 0.00 N ATOM 774 CA PHE A 238 -3.843 31.405 16.096 1.00 0.00 C ATOM 775 C PHE A 238 -4.562 30.867 14.862 1.00 0.00 C ATOM 776 O PHE A 238 -5.443 31.513 14.293 1.00 0.00 O ATOM 777 CB PHE A 238 -4.721 31.382 17.353 1.00 0.00 C ATOM 778 CG PHE A 238 -3.921 31.489 18.641 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.526 32.747 19.137 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.533 30.320 19.326 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.740 32.831 20.300 1.00 0.00 C ATOM 782 CE2 PHE A 238 -2.748 30.406 20.489 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.348 31.663 20.974 1.00 0.00 C ATOM 0 H PHE A 238 -4.119 33.372 15.482 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.996 30.748 16.293 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.434 32.205 17.306 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.300 30.459 17.368 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.827 33.648 18.623 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -3.840 29.353 18.956 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.437 33.797 20.676 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -2.453 29.507 21.009 1.00 0.00 H new ATOM 0 HZ PHE A 238 -1.740 31.731 21.864 1.00 0.00 H new ATOM 793 N CYS A 239 -4.122 29.671 14.460 1.00 0.00 N ATOM 794 CA CYS A 239 -4.493 28.974 13.237 1.00 0.00 C ATOM 795 C CYS A 239 -5.992 28.614 13.154 1.00 0.00 C ATOM 796 O CYS A 239 -6.711 28.768 14.144 1.00 0.00 O ATOM 797 CB CYS A 239 -3.524 27.791 13.119 1.00 0.00 C ATOM 798 SG CYS A 239 -4.045 26.365 14.104 1.00 0.00 S ATOM 0 H CYS A 239 -3.457 29.136 15.018 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.389 29.620 12.365 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.443 27.495 12.073 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.531 28.106 13.439 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.591 25.274 13.562 1.00 0.00 H new ATOM 804 N PRO A 240 -6.497 28.149 11.990 1.00 0.00 N ATOM 805 CA PRO A 240 -7.932 28.003 11.755 1.00 0.00 C ATOM 806 C PRO A 240 -8.609 26.827 12.470 1.00 0.00 C ATOM 807 O PRO A 240 -9.822 26.676 12.345 1.00 0.00 O ATOM 808 CB PRO A 240 -8.100 27.913 10.235 1.00 0.00 C ATOM 809 CG PRO A 240 -6.785 27.289 9.786 1.00 0.00 C ATOM 810 CD PRO A 240 -5.771 27.885 10.756 1.00 0.00 C ATOM 0 HA PRO A 240 -8.443 28.863 12.188 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.955 27.297 9.958 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.256 28.894 9.787 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.813 26.201 9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.551 27.542 8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.946 27.194 10.930 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.340 28.802 10.354 1.00 0.00 H new ATOM 818 N ARG A 241 -7.853 26.039 13.245 1.00 0.00 N ATOM 819 CA ARG A 241 -8.357 24.993 14.125 1.00 0.00 C ATOM 820 C ARG A 241 -8.014 25.288 15.595 1.00 0.00 C ATOM 821 O ARG A 241 -8.091 24.396 16.438 1.00 0.00 O ATOM 822 CB ARG A 241 -7.880 23.613 13.645 1.00 0.00 C ATOM 823 CG ARG A 241 -8.429 23.284 12.244 1.00 0.00 C ATOM 824 CD ARG A 241 -8.182 21.829 11.834 1.00 0.00 C ATOM 825 NE ARG A 241 -6.750 21.527 11.671 1.00 0.00 N ATOM 826 CZ ARG A 241 -6.252 20.365 11.222 1.00 0.00 C ATOM 827 NH1 ARG A 241 -7.047 19.355 10.861 1.00 0.00 N ATOM 828 NH2 ARG A 241 -4.931 20.208 11.133 1.00 0.00 N ATOM 0 H ARG A 241 -6.837 26.121 13.273 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.446 24.978 14.076 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.790 23.590 13.625 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -8.202 22.849 14.352 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -9.500 23.486 12.222 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.965 23.946 11.513 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -8.607 21.165 12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -8.702 21.625 10.898 1.00 0.00 H new ATOM 0 HE ARG A 241 -6.084 22.259 11.919 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -8.060 19.456 10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -6.641 18.482 10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -4.308 20.968 11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -4.544 19.328 10.793 1.00 0.00 H new ATOM 842 N CYS A 242 -7.655 26.547 15.898 1.00 0.00 N ATOM 843 CA CYS A 242 -7.290 27.038 17.207 1.00 0.00 C ATOM 844 C CYS A 242 -8.013 28.336 17.592 1.00 0.00 C ATOM 845 O CYS A 242 -8.047 28.658 18.779 1.00 0.00 O ATOM 846 CB CYS A 242 -5.783 27.283 17.202 1.00 0.00 C ATOM 847 SG CYS A 242 -4.878 25.724 17.383 1.00 0.00 S ATOM 0 H CYS A 242 -7.614 27.277 15.187 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.585 26.292 17.944 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.492 27.772 16.272 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.517 27.960 18.014 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.298 25.426 16.258 1.00 0.00 H new ATOM 853 N SER A 243 -8.590 29.070 16.627 1.00 0.00 N ATOM 854 CA SER A 243 -9.363 30.282 16.905 1.00 0.00 C ATOM 855 C SER A 243 -10.427 30.556 15.841 1.00 0.00 C ATOM 856 O SER A 243 -11.543 30.939 16.195 1.00 0.00 O ATOM 857 CB SER A 243 -8.394 31.468 17.018 1.00 0.00 C ATOM 858 OG SER A 243 -9.081 32.659 17.339 1.00 0.00 O ATOM 0 H SER A 243 -8.532 28.837 15.636 1.00 0.00 H new ATOM 0 HA SER A 243 -9.899 30.139 17.844 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.646 31.259 17.783 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.860 31.596 16.077 1.00 0.00 H new ATOM 0 HG SER A 243 -8.441 33.398 17.406 1.00 0.00 H new ATOM 864 N GLN A 244 -10.108 30.336 14.557 1.00 0.00 N ATOM 865 CA GLN A 244 -11.052 30.590 13.461 1.00 0.00 C ATOM 866 C GLN A 244 -12.150 29.514 13.379 1.00 0.00 C ATOM 867 O GLN A 244 -13.172 29.748 12.736 1.00 0.00 O ATOM 868 CB GLN A 244 -10.307 30.698 12.119 1.00 0.00 C ATOM 869 CG GLN A 244 -10.993 31.635 11.114 1.00 0.00 C ATOM 870 CD GLN A 244 -10.251 31.655 9.775 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.112 30.628 9.119 1.00 0.00 O ATOM 872 NE2 GLN A 244 -9.761 32.820 9.355 1.00 0.00 N ATOM 0 H GLN A 244 -9.201 29.982 14.253 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.542 31.540 13.673 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.293 31.054 12.302 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.222 29.705 11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -12.022 31.312 10.957 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.034 32.644 11.524 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -9.890 33.660 9.919 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -9.257 32.872 8.470 1.00 0.00 H new ATOM 881 N GLU A 245 -11.958 28.355 14.032 1.00 0.00 N ATOM 882 CA GLU A 245 -12.901 27.235 14.023 1.00 0.00 C ATOM 883 C GLU A 245 -14.250 27.589 14.675 1.00 0.00 C ATOM 884 O GLU A 245 -15.265 26.978 14.346 1.00 0.00 O ATOM 885 CB GLU A 245 -12.253 26.025 14.732 1.00 0.00 C ATOM 886 CG GLU A 245 -12.298 24.738 13.895 1.00 0.00 C ATOM 887 CD GLU A 245 -13.722 24.251 13.622 1.00 0.00 C ATOM 888 OE1 GLU A 245 -14.310 23.659 14.552 1.00 0.00 O ATOM 889 OE2 GLU A 245 -14.192 24.471 12.483 1.00 0.00 O ATOM 0 H GLU A 245 -11.125 28.172 14.591 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.120 26.988 12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.215 26.262 14.966 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -12.762 25.852 15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -11.791 24.911 12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -11.745 23.955 14.414 1.00 0.00 H new