USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=17 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 150:sc= -1.09 USER MOD Set 1.2: A 214 ASN : amide:sc= -0.112 X(o=0.071,f=0.34) USER MOD Set 1.3: A 239 CYS SG : rot 163:sc= 0.483 USER MOD Set 1.4: A 242 CYS SG : rot 103:sc= 0.79 USER MOD Set 2.1: A 206 TYR OH : rot 179:sc= 0.169 USER MOD Set 2.2: A 209 MET CE :methyl -168:sc= -0.12 (180deg=-0.642) USER MOD Set 3.1: A 203 GLN : amide:sc= -2.92 K(o=-5.4,f=-6.2!) USER MOD Set 3.2: A 223 HIS : no HD1:sc= -2.44 X(o=-5.4,f=-5.3) USER MOD Set 4.1: A 199 CYS SG : rot -162:sc= 0.559 USER MOD Set 4.2: A 201 CYS SG : rot 118:sc= 0.0446 USER MOD Set 4.3: A 226 CYS SG : rot 131:sc= 0.746 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= -0.0465 X(o=-0.046,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 217 CYS SG : rot -160:sc= 0.717 USER MOD Single : A 218 SER OG : rot -39:sc= 0.328 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+ -171:sc= 0 (180deg=-0.0726) 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= -0.201 X(o=-0.2,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 10.805 17.175 5.918 1.00 0.00 N ATOM 135 CA PRO A 196 10.052 17.950 6.897 1.00 0.00 C ATOM 136 C PRO A 196 8.921 18.742 6.223 1.00 0.00 C ATOM 137 O PRO A 196 8.971 19.025 5.025 1.00 0.00 O ATOM 138 CB PRO A 196 11.080 18.885 7.540 1.00 0.00 C ATOM 139 CG PRO A 196 12.063 19.150 6.401 1.00 0.00 C ATOM 140 CD PRO A 196 12.080 17.826 5.637 1.00 0.00 C ATOM 0 HA PRO A 196 9.568 17.313 7.637 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.620 19.806 7.898 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.569 18.420 8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.734 19.975 5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.053 19.411 6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.202 17.996 4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.914 17.202 5.958 1.00 0.00 H new ATOM 148 N THR A 197 7.910 19.126 7.013 1.00 0.00 N ATOM 149 CA THR A 197 6.725 19.841 6.554 1.00 0.00 C ATOM 150 C THR A 197 6.285 20.866 7.609 1.00 0.00 C ATOM 151 O THR A 197 6.838 20.925 8.709 1.00 0.00 O ATOM 152 CB THR A 197 5.584 18.854 6.222 1.00 0.00 C ATOM 153 OG1 THR A 197 5.196 18.127 7.370 1.00 0.00 O ATOM 154 CG2 THR A 197 5.932 17.863 5.103 1.00 0.00 C ATOM 0 H THR A 197 7.899 18.940 8.016 1.00 0.00 H new ATOM 0 HA THR A 197 6.972 20.378 5.638 1.00 0.00 H new ATOM 0 HB THR A 197 4.761 19.475 5.867 1.00 0.00 H new ATOM 0 HG1 THR A 197 4.471 17.510 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 197 5.084 17.202 4.925 1.00 0.00 H new ATOM 0 HG22 THR A 197 6.162 18.412 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 197 6.798 17.270 5.398 1.00 0.00 H new ATOM 162 N TYR A 198 5.287 21.681 7.245 1.00 0.00 N ATOM 163 CA TYR A 198 4.886 22.869 8.002 1.00 0.00 C ATOM 164 C TYR A 198 3.365 23.007 8.153 1.00 0.00 C ATOM 165 O TYR A 198 2.864 22.614 9.200 1.00 0.00 O ATOM 166 CB TYR A 198 5.519 24.096 7.345 1.00 0.00 C ATOM 167 CG TYR A 198 7.038 24.092 7.365 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.728 24.509 8.520 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.759 23.653 6.237 1.00 0.00 C ATOM 170 CE1 TYR A 198 9.133 24.499 8.548 1.00 0.00 C ATOM 171 CE2 TYR A 198 9.164 23.628 6.262 1.00 0.00 C ATOM 172 CZ TYR A 198 9.858 24.058 7.416 1.00 0.00 C ATOM 173 OH TYR A 198 11.221 24.045 7.438 1.00 0.00 O ATOM 0 H TYR A 198 4.729 21.530 6.405 1.00 0.00 H new ATOM 0 HA TYR A 198 5.252 22.771 9.024 1.00 0.00 H new ATOM 0 HB2 TYR A 198 5.179 24.158 6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 198 5.161 24.992 7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 198 7.175 24.838 9.388 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.231 23.335 5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.659 24.828 9.432 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.713 23.280 5.400 1.00 0.00 H new ATOM 0 HH TYR A 198 11.559 23.713 6.580 1.00 0.00 H new ATOM 183 N CYS A 199 2.638 23.555 7.156 1.00 0.00 N ATOM 184 CA CYS A 199 1.185 23.756 7.185 1.00 0.00 C ATOM 185 C CYS A 199 0.416 22.469 7.492 1.00 0.00 C ATOM 186 O CYS A 199 0.951 21.368 7.377 1.00 0.00 O ATOM 187 CB CYS A 199 0.635 24.489 5.933 1.00 0.00 C ATOM 188 SG CYS A 199 -0.882 25.395 6.385 1.00 0.00 S ATOM 0 H CYS A 199 3.064 23.877 6.287 1.00 0.00 H new ATOM 0 HA CYS A 199 1.007 24.432 8.022 1.00 0.00 H new ATOM 0 HB2 CYS A 199 1.383 25.180 5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.422 23.771 5.141 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.550 25.688 5.309 1.00 0.00 H new ATOM 193 N LEU A 200 -0.873 22.628 7.820 1.00 0.00 N ATOM 194 CA LEU A 200 -1.835 21.530 7.962 1.00 0.00 C ATOM 195 C LEU A 200 -1.989 20.700 6.676 1.00 0.00 C ATOM 196 O LEU A 200 -2.585 19.625 6.697 1.00 0.00 O ATOM 197 CB LEU A 200 -3.175 22.075 8.494 1.00 0.00 C ATOM 198 CG LEU A 200 -3.906 23.020 7.516 1.00 0.00 C ATOM 199 CD1 LEU A 200 -4.891 22.287 6.591 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.681 24.101 8.283 1.00 0.00 C ATOM 0 H LEU A 200 -1.284 23.545 7.998 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.443 20.827 8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.829 21.235 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -2.993 22.607 9.428 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.126 23.467 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.372 23.006 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.352 21.550 5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.649 21.784 7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.189 24.756 7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.418 23.629 8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -3.988 24.687 8.886 1.00 0.00 H new ATOM 212 N CYS A 201 -1.430 21.209 5.571 1.00 0.00 N ATOM 213 CA CYS A 201 -1.352 20.574 4.267 1.00 0.00 C ATOM 214 C CYS A 201 -0.284 19.473 4.194 1.00 0.00 C ATOM 215 O CYS A 201 -0.332 18.640 3.291 1.00 0.00 O ATOM 216 CB CYS A 201 -0.931 21.663 3.289 1.00 0.00 C ATOM 217 SG CYS A 201 -2.122 23.026 3.190 1.00 0.00 S ATOM 0 H CYS A 201 -0.996 22.132 5.573 1.00 0.00 H new ATOM 0 HA CYS A 201 -2.317 20.117 4.048 1.00 0.00 H new ATOM 0 HB2 CYS A 201 0.040 22.057 3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -0.805 21.225 2.299 1.00 0.00 H new ATOM 0 HG CYS A 201 -1.554 24.128 3.582 1.00 0.00 H new ATOM 223 N HIS A 202 0.681 19.505 5.122 1.00 0.00 N ATOM 224 CA HIS A 202 1.867 18.661 5.183 1.00 0.00 C ATOM 225 C HIS A 202 2.721 18.785 3.912 1.00 0.00 C ATOM 226 O HIS A 202 2.909 17.814 3.179 1.00 0.00 O ATOM 227 CB HIS A 202 1.512 17.217 5.585 1.00 0.00 C ATOM 228 CG HIS A 202 0.700 17.081 6.854 1.00 0.00 C ATOM 229 ND1 HIS A 202 -0.102 16.011 7.185 1.00 0.00 N ATOM 230 CD2 HIS A 202 0.613 17.974 7.892 1.00 0.00 C ATOM 231 CE1 HIS A 202 -0.654 16.262 8.384 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.251 17.452 8.859 1.00 0.00 N ATOM 0 H HIS A 202 0.646 20.166 5.898 1.00 0.00 H new ATOM 0 HA HIS A 202 2.510 19.026 5.984 1.00 0.00 H new ATOM 0 HB2 HIS A 202 0.958 16.755 4.767 1.00 0.00 H new ATOM 0 HB3 HIS A 202 2.437 16.652 5.703 1.00 0.00 H new ATOM 0 HD2 HIS A 202 1.126 18.922 7.952 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -1.331 15.596 8.897 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -0.520 17.885 9.742 1.00 0.00 H new ATOM 240 N GLN A 203 3.238 20.001 3.670 1.00 0.00 N ATOM 241 CA GLN A 203 4.149 20.329 2.579 1.00 0.00 C ATOM 242 C GLN A 203 5.428 21.023 3.075 1.00 0.00 C ATOM 243 O GLN A 203 5.458 21.590 4.167 1.00 0.00 O ATOM 244 CB GLN A 203 3.413 21.125 1.480 1.00 0.00 C ATOM 245 CG GLN A 203 3.327 22.654 1.653 1.00 0.00 C ATOM 246 CD GLN A 203 2.470 23.136 2.821 1.00 0.00 C ATOM 247 OE1 GLN A 203 1.371 23.651 2.624 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.974 23.052 4.048 1.00 0.00 N ATOM 0 H GLN A 203 3.020 20.808 4.255 1.00 0.00 H new ATOM 0 HA GLN A 203 4.488 19.396 2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.904 20.920 0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.397 20.736 1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 203 4.336 23.045 1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.932 23.085 0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.887 22.622 4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.448 23.417 4.842 1.00 0.00 H new ATOM 257 N VAL A 204 6.475 20.977 2.241 1.00 0.00 N ATOM 258 CA VAL A 204 7.821 21.503 2.506 1.00 0.00 C ATOM 259 C VAL A 204 7.833 23.049 2.514 1.00 0.00 C ATOM 260 O VAL A 204 6.796 23.690 2.341 1.00 0.00 O ATOM 261 CB VAL A 204 8.844 20.929 1.475 1.00 0.00 C ATOM 262 CG1 VAL A 204 10.225 20.683 2.116 1.00 0.00 C ATOM 263 CG2 VAL A 204 8.423 19.596 0.828 1.00 0.00 C ATOM 0 H VAL A 204 6.403 20.551 1.317 1.00 0.00 H new ATOM 0 HA VAL A 204 8.123 21.176 3.501 1.00 0.00 H new ATOM 0 HB VAL A 204 8.883 21.700 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 204 10.908 20.284 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 204 10.619 21.623 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 204 10.125 19.968 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 204 9.192 19.273 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 204 8.297 18.839 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.481 19.731 0.296 1.00 0.00 H new ATOM 273 N SER A 205 9.026 23.631 2.716 1.00 0.00 N ATOM 274 CA SER A 205 9.340 25.063 2.739 1.00 0.00 C ATOM 275 C SER A 205 8.674 25.865 1.610 1.00 0.00 C ATOM 276 O SER A 205 8.463 25.367 0.504 1.00 0.00 O ATOM 277 CB SER A 205 10.861 25.252 2.693 1.00 0.00 C ATOM 278 OG SER A 205 11.487 24.619 3.791 1.00 0.00 O ATOM 0 H SER A 205 9.859 23.066 2.880 1.00 0.00 H new ATOM 0 HA SER A 205 8.930 25.458 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 205 11.253 24.843 1.762 1.00 0.00 H new ATOM 0 HB3 SER A 205 11.099 26.316 2.699 1.00 0.00 H new ATOM 0 HG SER A 205 12.456 24.753 3.737 1.00 0.00 H new ATOM 284 N TYR A 206 8.360 27.129 1.923 1.00 0.00 N ATOM 285 CA TYR A 206 7.509 28.013 1.130 1.00 0.00 C ATOM 286 C TYR A 206 7.849 29.489 1.391 1.00 0.00 C ATOM 287 O TYR A 206 8.575 29.816 2.331 1.00 0.00 O ATOM 288 CB TYR A 206 6.032 27.704 1.453 1.00 0.00 C ATOM 289 CG TYR A 206 5.647 27.770 2.924 1.00 0.00 C ATOM 290 CD1 TYR A 206 6.067 26.756 3.810 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.851 28.824 3.413 1.00 0.00 C ATOM 292 CE1 TYR A 206 5.745 26.813 5.170 1.00 0.00 C ATOM 293 CE2 TYR A 206 4.460 28.836 4.765 1.00 0.00 C ATOM 294 CZ TYR A 206 4.903 27.831 5.648 1.00 0.00 C ATOM 295 OH TYR A 206 4.514 27.834 6.951 1.00 0.00 O ATOM 0 H TYR A 206 8.708 27.578 2.770 1.00 0.00 H new ATOM 0 HA TYR A 206 7.686 27.835 0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 206 5.405 28.404 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 206 5.799 26.706 1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 206 6.645 25.925 3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 206 4.542 29.621 2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 206 6.143 26.076 5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.815 29.622 5.129 1.00 0.00 H new ATOM 0 HH TYR A 206 3.948 28.615 7.121 1.00 0.00 H new ATOM 305 N GLY A 207 7.321 30.376 0.535 1.00 0.00 N ATOM 306 CA GLY A 207 7.709 31.782 0.471 1.00 0.00 C ATOM 307 C GLY A 207 7.207 32.648 1.628 1.00 0.00 C ATOM 308 O GLY A 207 7.988 33.439 2.157 1.00 0.00 O ATOM 0 H GLY A 207 6.600 30.126 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 207 8.797 31.841 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 207 7.339 32.203 -0.464 1.00 0.00 H new ATOM 312 N GLU A 208 5.936 32.498 2.032 1.00 0.00 N ATOM 313 CA GLU A 208 5.270 33.402 2.962 1.00 0.00 C ATOM 314 C GLU A 208 4.600 32.618 4.089 1.00 0.00 C ATOM 315 O GLU A 208 3.773 31.743 3.839 1.00 0.00 O ATOM 316 CB GLU A 208 4.317 34.298 2.164 1.00 0.00 C ATOM 317 CG GLU A 208 2.945 33.728 1.746 1.00 0.00 C ATOM 318 CD GLU A 208 2.982 32.435 0.920 1.00 0.00 C ATOM 319 OE1 GLU A 208 3.804 32.362 -0.021 1.00 0.00 O ATOM 320 OE2 GLU A 208 2.171 31.536 1.238 1.00 0.00 O ATOM 0 H GLU A 208 5.341 31.733 1.714 1.00 0.00 H new ATOM 0 HA GLU A 208 5.987 34.053 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.137 35.197 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.836 34.610 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 208 2.359 33.545 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 208 2.416 34.489 1.171 1.00 0.00 H new ATOM 327 N MET A 209 4.971 32.931 5.339 1.00 0.00 N ATOM 328 CA MET A 209 4.648 32.069 6.477 1.00 0.00 C ATOM 329 C MET A 209 4.304 32.825 7.761 1.00 0.00 C ATOM 330 O MET A 209 4.913 33.845 8.089 1.00 0.00 O ATOM 331 CB MET A 209 5.850 31.143 6.805 1.00 0.00 C ATOM 332 CG MET A 209 6.851 30.814 5.680 1.00 0.00 C ATOM 333 SD MET A 209 7.947 29.368 5.883 1.00 0.00 S ATOM 334 CE MET A 209 7.922 29.013 7.664 1.00 0.00 C ATOM 0 H MET A 209 5.493 33.772 5.583 1.00 0.00 H new ATOM 0 HA MET A 209 3.766 31.511 6.164 1.00 0.00 H new ATOM 0 HB2 MET A 209 6.408 31.600 7.622 1.00 0.00 H new ATOM 0 HB3 MET A 209 5.450 30.201 7.180 1.00 0.00 H new ATOM 0 HG2 MET A 209 6.282 30.672 4.761 1.00 0.00 H new ATOM 0 HG3 MET A 209 7.482 31.690 5.532 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.712 28.301 7.904 1.00 0.00 H new ATOM 0 HE2 MET A 209 8.084 29.936 8.221 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.956 28.589 7.937 1.00 0.00 H new ATOM 344 N ILE A 210 3.390 32.219 8.529 1.00 0.00 N ATOM 345 CA ILE A 210 3.026 32.589 9.897 1.00 0.00 C ATOM 346 C ILE A 210 2.803 31.321 10.728 1.00 0.00 C ATOM 347 O ILE A 210 2.483 30.275 10.179 1.00 0.00 O ATOM 348 CB ILE A 210 1.782 33.500 9.882 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.505 34.084 11.282 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.539 32.793 9.300 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.618 35.328 11.238 1.00 0.00 C ATOM 0 H ILE A 210 2.858 31.416 8.193 1.00 0.00 H new ATOM 0 HA ILE A 210 3.836 33.153 10.360 1.00 0.00 H new ATOM 0 HB ILE A 210 2.003 34.331 9.212 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.027 33.324 11.900 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.452 34.335 11.760 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.309 33.478 9.312 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.742 32.486 8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.305 31.915 9.902 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.456 35.696 12.251 1.00 0.00 H new ATOM 0 HD12 ILE A 210 1.105 36.102 10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.341 35.075 10.787 1.00 0.00 H new ATOM 363 N GLY A 211 2.949 31.412 12.052 1.00 0.00 N ATOM 364 CA GLY A 211 2.909 30.269 12.955 1.00 0.00 C ATOM 365 C GLY A 211 2.082 30.548 14.202 1.00 0.00 C ATOM 366 O GLY A 211 2.059 31.679 14.690 1.00 0.00 O ATOM 0 H GLY A 211 3.101 32.300 12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.493 29.409 12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.925 30.004 13.247 1.00 0.00 H new ATOM 370 N CYS A 212 1.386 29.508 14.692 1.00 0.00 N ATOM 371 CA CYS A 212 0.466 29.665 15.820 1.00 0.00 C ATOM 372 C CYS A 212 1.231 29.948 17.114 1.00 0.00 C ATOM 373 O CYS A 212 2.322 29.432 17.357 1.00 0.00 O ATOM 374 CB CYS A 212 -0.524 28.502 16.018 1.00 0.00 C ATOM 375 SG CYS A 212 -1.923 29.063 17.049 1.00 0.00 S ATOM 0 H CYS A 212 1.445 28.558 14.325 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.151 30.525 15.561 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -0.888 28.151 15.052 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.022 27.660 16.494 1.00 0.00 H new ATOM 0 HG CYS A 212 -2.995 28.404 16.722 1.00 0.00 H new ATOM 380 N ASP A 213 0.587 30.772 17.936 1.00 0.00 N ATOM 381 CA ASP A 213 1.094 31.329 19.188 1.00 0.00 C ATOM 382 C ASP A 213 0.992 30.356 20.380 1.00 0.00 C ATOM 383 O ASP A 213 1.490 30.666 21.461 1.00 0.00 O ATOM 384 CB ASP A 213 0.311 32.626 19.460 1.00 0.00 C ATOM 385 CG ASP A 213 0.881 33.462 20.607 1.00 0.00 C ATOM 386 OD1 ASP A 213 1.960 34.058 20.395 1.00 0.00 O ATOM 387 OD2 ASP A 213 0.211 33.525 21.661 1.00 0.00 O ATOM 0 H ASP A 213 -0.361 31.088 17.734 1.00 0.00 H new ATOM 0 HA ASP A 213 2.161 31.525 19.081 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.301 33.230 18.553 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.725 32.373 19.687 1.00 0.00 H new ATOM 392 N ASN A 214 0.347 29.193 20.205 1.00 0.00 N ATOM 393 CA ASN A 214 0.003 28.311 21.316 1.00 0.00 C ATOM 394 C ASN A 214 1.202 27.456 21.754 1.00 0.00 C ATOM 395 O ASN A 214 1.950 26.987 20.893 1.00 0.00 O ATOM 396 CB ASN A 214 -1.125 27.349 20.915 1.00 0.00 C ATOM 397 CG ASN A 214 -2.402 28.009 20.405 1.00 0.00 C ATOM 398 OD1 ASN A 214 -2.655 29.189 20.620 1.00 0.00 O ATOM 399 ND2 ASN A 214 -3.220 27.223 19.711 1.00 0.00 N ATOM 0 H ASN A 214 0.053 28.844 19.293 1.00 0.00 H new ATOM 0 HA ASN A 214 -0.311 28.956 22.137 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -0.749 26.679 20.142 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -1.376 26.731 21.777 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -4.092 27.598 19.337 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.975 26.246 19.552 1.00 0.00 H new ATOM 406 N PRO A 215 1.333 27.151 23.061 1.00 0.00 N ATOM 407 CA PRO A 215 2.273 26.155 23.569 1.00 0.00 C ATOM 408 C PRO A 215 1.771 24.713 23.321 1.00 0.00 C ATOM 409 O PRO A 215 2.400 23.765 23.789 1.00 0.00 O ATOM 410 CB PRO A 215 2.402 26.476 25.062 1.00 0.00 C ATOM 411 CG PRO A 215 1.010 26.984 25.429 1.00 0.00 C ATOM 412 CD PRO A 215 0.554 27.708 24.161 1.00 0.00 C ATOM 0 HA PRO A 215 3.236 26.200 23.061 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.675 25.594 25.642 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.168 27.229 25.248 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.339 26.165 25.688 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.040 27.656 26.287 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -0.513 27.561 23.993 1.00 0.00 H new ATOM 0 HD3 PRO A 215 0.718 28.782 24.248 1.00 0.00 H new ATOM 420 N ASP A 216 0.653 24.553 22.589 1.00 0.00 N ATOM 421 CA ASP A 216 -0.064 23.297 22.376 1.00 0.00 C ATOM 422 C ASP A 216 -0.284 22.981 20.887 1.00 0.00 C ATOM 423 O ASP A 216 -0.742 21.884 20.567 1.00 0.00 O ATOM 424 CB ASP A 216 -1.427 23.362 23.087 1.00 0.00 C ATOM 425 CG ASP A 216 -1.331 23.788 24.553 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.776 22.998 25.347 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.822 24.899 24.851 1.00 0.00 O ATOM 0 H ASP A 216 0.210 25.337 22.110 1.00 0.00 H new ATOM 0 HA ASP A 216 0.553 22.499 22.789 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -2.072 24.061 22.555 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -1.904 22.383 23.032 1.00 0.00 H new ATOM 432 N CYS A 217 0.030 23.918 19.977 1.00 0.00 N ATOM 433 CA CYS A 217 -0.035 23.705 18.542 1.00 0.00 C ATOM 434 C CYS A 217 1.000 22.654 18.132 1.00 0.00 C ATOM 435 O CYS A 217 2.164 22.715 18.526 1.00 0.00 O ATOM 436 CB CYS A 217 0.156 25.035 17.806 1.00 0.00 C ATOM 437 SG CYS A 217 -0.138 24.847 16.029 1.00 0.00 S ATOM 0 H CYS A 217 0.340 24.856 20.233 1.00 0.00 H new ATOM 0 HA CYS A 217 -1.017 23.324 18.263 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.527 25.781 18.213 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.168 25.404 17.973 1.00 0.00 H new ATOM 0 HG CYS A 217 0.421 25.831 15.390 1.00 0.00 H new ATOM 443 N SER A 218 0.540 21.709 17.311 1.00 0.00 N ATOM 444 CA SER A 218 1.292 20.537 16.851 1.00 0.00 C ATOM 445 C SER A 218 1.574 20.599 15.337 1.00 0.00 C ATOM 446 O SER A 218 2.033 19.621 14.748 1.00 0.00 O ATOM 447 CB SER A 218 0.516 19.274 17.255 1.00 0.00 C ATOM 448 OG SER A 218 1.308 18.118 17.083 1.00 0.00 O ATOM 0 H SER A 218 -0.406 21.739 16.932 1.00 0.00 H new ATOM 0 HA SER A 218 2.272 20.517 17.327 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.202 19.353 18.296 1.00 0.00 H new ATOM 0 HB3 SER A 218 -0.390 19.191 16.654 1.00 0.00 H new ATOM 0 HG SER A 218 1.839 18.204 16.264 1.00 0.00 H new ATOM 454 N ILE A 219 1.315 21.765 14.727 1.00 0.00 N ATOM 455 CA ILE A 219 1.576 22.087 13.327 1.00 0.00 C ATOM 456 C ILE A 219 2.567 23.265 13.253 1.00 0.00 C ATOM 457 O ILE A 219 3.411 23.275 12.360 1.00 0.00 O ATOM 458 CB ILE A 219 0.240 22.397 12.602 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.855 21.312 12.767 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.446 22.687 11.106 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.524 19.935 12.172 1.00 0.00 C ATOM 0 H ILE A 219 0.895 22.547 15.229 1.00 0.00 H new ATOM 0 HA ILE A 219 2.030 21.236 12.819 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.124 23.293 13.105 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -1.060 21.188 13.830 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.773 21.676 12.305 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.517 22.898 10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 219 1.103 23.549 10.990 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.898 21.819 10.626 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.358 19.254 12.344 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.351 20.034 11.100 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.372 19.539 12.649 1.00 0.00 H new ATOM 473 N GLU A 220 2.487 24.192 14.233 1.00 0.00 N ATOM 474 CA GLU A 220 3.302 25.382 14.520 1.00 0.00 C ATOM 475 C GLU A 220 3.580 26.393 13.393 1.00 0.00 C ATOM 476 O GLU A 220 3.960 27.518 13.708 1.00 0.00 O ATOM 477 CB GLU A 220 4.588 25.004 15.280 1.00 0.00 C ATOM 478 CG GLU A 220 5.601 24.206 14.443 1.00 0.00 C ATOM 479 CD GLU A 220 6.994 24.231 15.070 1.00 0.00 C ATOM 480 OE1 GLU A 220 7.196 23.479 16.049 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.837 25.003 14.558 1.00 0.00 O ATOM 0 H GLU A 220 1.748 24.106 14.931 1.00 0.00 H new ATOM 0 HA GLU A 220 2.630 25.962 15.153 1.00 0.00 H new ATOM 0 HB2 GLU A 220 5.067 25.915 15.638 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.319 24.419 16.159 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.263 23.174 14.348 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.647 24.620 13.436 1.00 0.00 H new ATOM 488 N TRP A 221 3.354 26.053 12.120 1.00 0.00 N ATOM 489 CA TRP A 221 3.539 26.909 10.967 1.00 0.00 C ATOM 490 C TRP A 221 2.424 26.682 9.951 1.00 0.00 C ATOM 491 O TRP A 221 1.842 25.605 9.875 1.00 0.00 O ATOM 492 CB TRP A 221 4.878 26.574 10.319 1.00 0.00 C ATOM 493 CG TRP A 221 6.073 27.216 10.930 1.00 0.00 C ATOM 494 CD1 TRP A 221 7.031 26.586 11.640 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.470 28.618 10.873 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.004 27.487 12.005 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.729 28.752 11.526 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.909 29.784 10.308 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.413 29.974 11.576 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.566 31.025 10.397 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.822 31.120 11.018 1.00 0.00 C ATOM 0 H TRP A 221 3.020 25.124 11.864 1.00 0.00 H new ATOM 0 HA TRP A 221 3.518 27.951 11.287 1.00 0.00 H new ATOM 0 HB2 TRP A 221 5.014 25.493 10.350 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.833 26.860 9.268 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.034 25.534 11.885 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.826 27.250 12.560 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.959 29.722 9.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.387 30.034 12.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.102 31.909 9.986 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.332 32.071 11.066 1.00 0.00 H new ATOM 512 N PHE A 222 2.137 27.729 9.175 1.00 0.00 N ATOM 513 CA PHE A 222 0.998 27.833 8.277 1.00 0.00 C ATOM 514 C PHE A 222 1.312 28.804 7.141 1.00 0.00 C ATOM 515 O PHE A 222 2.104 29.734 7.297 1.00 0.00 O ATOM 516 CB PHE A 222 -0.238 28.350 9.038 1.00 0.00 C ATOM 517 CG PHE A 222 -0.682 27.471 10.192 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.102 27.636 11.465 1.00 0.00 C ATOM 519 CD2 PHE A 222 -1.621 26.445 9.978 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.420 26.751 12.507 1.00 0.00 C ATOM 521 CE2 PHE A 222 -1.970 25.583 11.031 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.368 25.737 12.291 1.00 0.00 C ATOM 0 H PHE A 222 2.723 28.564 9.159 1.00 0.00 H new ATOM 0 HA PHE A 222 0.792 26.842 7.872 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.022 29.348 9.420 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.065 28.450 8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.590 28.447 11.640 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -2.073 26.320 9.005 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.061 26.849 13.469 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -2.700 24.803 10.872 1.00 0.00 H new ATOM 0 HZ PHE A 222 -1.636 25.072 13.099 1.00 0.00 H new ATOM 532 N HIS A 223 0.632 28.613 6.007 1.00 0.00 N ATOM 533 CA HIS A 223 0.672 29.568 4.906 1.00 0.00 C ATOM 534 C HIS A 223 -0.240 30.743 5.231 1.00 0.00 C ATOM 535 O HIS A 223 -1.276 30.579 5.879 1.00 0.00 O ATOM 536 CB HIS A 223 0.252 28.918 3.573 1.00 0.00 C ATOM 537 CG HIS A 223 1.102 27.773 3.065 1.00 0.00 C ATOM 538 ND1 HIS A 223 1.052 27.265 1.765 1.00 0.00 N ATOM 539 CD2 HIS A 223 2.100 27.130 3.735 1.00 0.00 C ATOM 540 CE1 HIS A 223 2.096 26.431 1.651 1.00 0.00 C ATOM 541 NE2 HIS A 223 2.728 26.311 2.830 1.00 0.00 N ATOM 0 H HIS A 223 0.044 27.798 5.831 1.00 0.00 H new ATOM 0 HA HIS A 223 1.698 29.916 4.788 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -0.771 28.558 3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 223 0.238 29.694 2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 223 2.349 27.243 4.780 1.00 0.00 H new ATOM 0 HE1 HIS A 223 2.387 25.928 0.741 1.00 0.00 H new ATOM 0 HE2 HIS A 223 3.534 25.715 3.020 1.00 0.00 H new ATOM 549 N PHE A 224 0.141 31.922 4.728 1.00 0.00 N ATOM 550 CA PHE A 224 -0.751 33.082 4.728 1.00 0.00 C ATOM 551 C PHE A 224 -2.070 32.715 4.066 1.00 0.00 C ATOM 552 O PHE A 224 -3.124 32.908 4.656 1.00 0.00 O ATOM 553 CB PHE A 224 -0.148 34.278 3.976 1.00 0.00 C ATOM 554 CG PHE A 224 1.006 35.032 4.604 1.00 0.00 C ATOM 555 CD1 PHE A 224 1.486 34.741 5.897 1.00 0.00 C ATOM 556 CD2 PHE A 224 1.615 36.054 3.850 1.00 0.00 C ATOM 557 CE1 PHE A 224 2.614 35.415 6.386 1.00 0.00 C ATOM 558 CE2 PHE A 224 2.753 36.714 4.337 1.00 0.00 C ATOM 559 CZ PHE A 224 3.280 36.353 5.585 1.00 0.00 C ATOM 0 H PHE A 224 1.058 32.096 4.317 1.00 0.00 H new ATOM 0 HA PHE A 224 -0.903 33.369 5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 224 0.184 33.921 3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -0.951 34.993 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.988 34.003 6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 224 1.203 36.331 2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.971 35.211 7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 224 3.220 37.495 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 224 4.201 36.799 5.930 1.00 0.00 H new ATOM 569 N ALA A 225 -2.009 32.130 2.872 1.00 0.00 N ATOM 570 CA ALA A 225 -3.185 31.789 2.098 1.00 0.00 C ATOM 571 C ALA A 225 -3.976 30.608 2.682 1.00 0.00 C ATOM 572 O ALA A 225 -5.123 30.419 2.279 1.00 0.00 O ATOM 573 CB ALA A 225 -2.767 31.509 0.651 1.00 0.00 C ATOM 0 H ALA A 225 -1.131 31.880 2.417 1.00 0.00 H new ATOM 0 HA ALA A 225 -3.864 32.641 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.647 31.251 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -2.295 32.397 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -2.061 30.679 0.630 1.00 0.00 H new ATOM 579 N CYS A 226 -3.420 29.839 3.639 1.00 0.00 N ATOM 580 CA CYS A 226 -4.151 28.812 4.350 1.00 0.00 C ATOM 581 C CYS A 226 -5.092 29.395 5.422 1.00 0.00 C ATOM 582 O CYS A 226 -5.956 28.664 5.904 1.00 0.00 O ATOM 583 CB CYS A 226 -3.113 27.867 4.950 1.00 0.00 C ATOM 584 SG CYS A 226 -2.680 26.572 3.749 1.00 0.00 S ATOM 0 H CYS A 226 -2.446 29.926 3.930 1.00 0.00 H new ATOM 0 HA CYS A 226 -4.808 28.275 3.666 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.221 28.426 5.232 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.506 27.413 5.860 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.386 26.478 3.660 1.00 0.00 H new ATOM 590 N VAL A 227 -4.973 30.696 5.741 1.00 0.00 N ATOM 591 CA VAL A 227 -5.886 31.466 6.592 1.00 0.00 C ATOM 592 C VAL A 227 -6.557 32.621 5.831 1.00 0.00 C ATOM 593 O VAL A 227 -7.563 33.166 6.283 1.00 0.00 O ATOM 594 CB VAL A 227 -5.143 31.938 7.863 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.064 32.999 7.609 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.101 32.443 8.953 1.00 0.00 C ATOM 0 H VAL A 227 -4.199 31.263 5.394 1.00 0.00 H new ATOM 0 HA VAL A 227 -6.703 30.815 6.902 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.638 31.038 8.213 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -3.594 33.273 8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.311 32.597 6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -4.520 33.882 7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.527 32.762 9.823 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -6.677 33.285 8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.780 31.640 9.241 1.00 0.00 H new ATOM 606 N GLY A 228 -6.000 32.964 4.667 1.00 0.00 N ATOM 607 CA GLY A 228 -6.459 34.026 3.780 1.00 0.00 C ATOM 608 C GLY A 228 -5.734 35.361 3.998 1.00 0.00 C ATOM 609 O GLY A 228 -6.280 36.397 3.619 1.00 0.00 O ATOM 0 H GLY A 228 -5.177 32.483 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -6.320 33.711 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -7.529 34.174 3.927 1.00 0.00 H new ATOM 613 N LEU A 229 -4.542 35.358 4.620 1.00 0.00 N ATOM 614 CA LEU A 229 -3.748 36.561 4.852 1.00 0.00 C ATOM 615 C LEU A 229 -3.140 37.089 3.546 1.00 0.00 C ATOM 616 O LEU A 229 -2.936 36.341 2.588 1.00 0.00 O ATOM 617 CB LEU A 229 -2.644 36.299 5.899 1.00 0.00 C ATOM 618 CG LEU A 229 -3.071 36.520 7.364 1.00 0.00 C ATOM 619 CD1 LEU A 229 -1.958 36.013 8.293 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.345 37.998 7.685 1.00 0.00 C ATOM 0 H LEU A 229 -4.105 34.508 4.976 1.00 0.00 H new ATOM 0 HA LEU A 229 -4.417 37.327 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -2.296 35.272 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -1.796 36.948 5.681 1.00 0.00 H new ATOM 0 HG LEU A 229 -3.999 35.970 7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.253 36.166 9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -1.792 34.950 8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.038 36.562 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -3.642 38.095 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -2.442 38.582 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.146 38.367 7.045 1.00 0.00 H new ATOM 632 N THR A 230 -2.819 38.390 3.548 1.00 0.00 N ATOM 633 CA THR A 230 -2.265 39.131 2.409 1.00 0.00 C ATOM 634 C THR A 230 -1.132 40.087 2.825 1.00 0.00 C ATOM 635 O THR A 230 -0.425 40.595 1.957 1.00 0.00 O ATOM 636 CB THR A 230 -3.375 39.927 1.692 1.00 0.00 C ATOM 637 OG1 THR A 230 -3.963 40.860 2.579 1.00 0.00 O ATOM 638 CG2 THR A 230 -4.476 39.035 1.105 1.00 0.00 C ATOM 0 H THR A 230 -2.943 38.976 4.374 1.00 0.00 H new ATOM 0 HA THR A 230 -1.842 38.392 1.729 1.00 0.00 H new ATOM 0 HB THR A 230 -2.890 40.440 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.664 41.359 2.111 1.00 0.00 H new ATOM 0 HG21 THR A 230 -5.225 39.657 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.040 38.350 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 230 -4.946 38.463 1.905 1.00 0.00 H new ATOM 646 N THR A 231 -0.950 40.321 4.134 1.00 0.00 N ATOM 647 CA THR A 231 0.101 41.151 4.728 1.00 0.00 C ATOM 648 C THR A 231 0.437 40.548 6.095 1.00 0.00 C ATOM 649 O THR A 231 -0.472 40.212 6.853 1.00 0.00 O ATOM 650 CB THR A 231 -0.389 42.606 4.877 1.00 0.00 C ATOM 651 OG1 THR A 231 -0.641 43.171 3.607 1.00 0.00 O ATOM 652 CG2 THR A 231 0.630 43.506 5.587 1.00 0.00 C ATOM 0 H THR A 231 -1.565 39.914 4.839 1.00 0.00 H new ATOM 0 HA THR A 231 0.987 41.169 4.094 1.00 0.00 H new ATOM 0 HB THR A 231 -1.297 42.557 5.479 1.00 0.00 H new ATOM 0 HG1 THR A 231 -0.953 44.094 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 231 0.231 44.518 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 231 0.825 43.117 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 231 1.559 43.524 5.017 1.00 0.00 H new ATOM 660 N LYS A 232 1.735 40.406 6.398 1.00 0.00 N ATOM 661 CA LYS A 232 2.214 39.722 7.597 1.00 0.00 C ATOM 662 C LYS A 232 1.986 40.572 8.865 1.00 0.00 C ATOM 663 O LYS A 232 2.540 41.668 8.952 1.00 0.00 O ATOM 664 CB LYS A 232 3.707 39.393 7.427 1.00 0.00 C ATOM 665 CG LYS A 232 4.146 38.369 8.484 1.00 0.00 C ATOM 666 CD LYS A 232 5.633 38.008 8.370 1.00 0.00 C ATOM 667 CE LYS A 232 6.011 36.924 9.386 1.00 0.00 C ATOM 668 NZ LYS A 232 5.883 37.397 10.779 1.00 0.00 N ATOM 0 H LYS A 232 2.485 40.768 5.809 1.00 0.00 H new ATOM 0 HA LYS A 232 1.647 38.800 7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.888 38.996 6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 232 4.301 40.302 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.948 38.770 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.547 37.464 8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.850 37.658 7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 232 6.241 38.897 8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.373 36.053 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 232 7.037 36.602 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 6.291 36.691 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 6.390 38.298 10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 4.878 37.536 11.008 1.00 0.00 H new ATOM 682 N PRO A 233 1.222 40.084 9.866 1.00 0.00 N ATOM 683 CA PRO A 233 1.109 40.713 11.181 1.00 0.00 C ATOM 684 C PRO A 233 2.293 40.322 12.090 1.00 0.00 C ATOM 685 O PRO A 233 3.128 39.490 11.725 1.00 0.00 O ATOM 686 CB PRO A 233 -0.219 40.182 11.735 1.00 0.00 C ATOM 687 CG PRO A 233 -0.251 38.753 11.201 1.00 0.00 C ATOM 688 CD PRO A 233 0.378 38.896 9.815 1.00 0.00 C ATOM 0 HA PRO A 233 1.131 41.801 11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.244 40.209 12.824 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.069 40.766 11.382 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.317 38.072 11.835 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.268 38.364 11.146 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.965 38.013 9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.390 38.998 9.049 1.00 0.00 H new ATOM 696 N ARG A 234 2.325 40.887 13.309 1.00 0.00 N ATOM 697 CA ARG A 234 3.243 40.498 14.367 1.00 0.00 C ATOM 698 C ARG A 234 2.502 40.572 15.702 1.00 0.00 C ATOM 699 O ARG A 234 1.791 41.536 15.981 1.00 0.00 O ATOM 700 CB ARG A 234 4.464 41.427 14.378 1.00 0.00 C ATOM 701 CG ARG A 234 5.635 40.828 15.174 1.00 0.00 C ATOM 702 CD ARG A 234 6.724 41.866 15.471 1.00 0.00 C ATOM 703 NE ARG A 234 6.292 42.810 16.515 1.00 0.00 N ATOM 704 CZ ARG A 234 7.056 43.752 17.087 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.322 43.956 16.710 1.00 0.00 N ATOM 706 NH2 ARG A 234 6.542 44.506 18.060 1.00 0.00 N ATOM 0 H ARG A 234 1.696 41.642 13.581 1.00 0.00 H new ATOM 0 HA ARG A 234 3.597 39.481 14.198 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.783 41.619 13.354 1.00 0.00 H new ATOM 0 HB3 ARG A 234 4.185 42.388 14.811 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.262 40.417 16.112 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.068 40.000 14.613 1.00 0.00 H new ATOM 0 HD2 ARG A 234 7.635 41.360 15.790 1.00 0.00 H new ATOM 0 HD3 ARG A 234 6.966 42.413 14.560 1.00 0.00 H new ATOM 0 HE ARG A 234 5.325 42.741 16.832 1.00 0.00 H new ATOM 0 HH11 ARG A 234 8.731 43.387 15.969 1.00 0.00 H new ATOM 0 HH12 ARG A 234 8.879 44.680 17.164 1.00 0.00 H new ATOM 0 HH21 ARG A 234 5.578 44.363 18.361 1.00 0.00 H new ATOM 0 HH22 ARG A 234 7.113 45.226 18.503 1.00 0.00 H new ATOM 720 N GLY A 235 2.697 39.529 16.506 1.00 0.00 N ATOM 721 CA GLY A 235 2.062 39.325 17.802 1.00 0.00 C ATOM 722 C GLY A 235 1.361 37.967 17.875 1.00 0.00 C ATOM 723 O GLY A 235 1.547 37.110 17.009 1.00 0.00 O ATOM 0 H GLY A 235 3.331 38.770 16.259 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.812 39.391 18.590 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.338 40.120 17.983 1.00 0.00 H new ATOM 727 N LYS A 236 0.535 37.796 18.918 1.00 0.00 N ATOM 728 CA LYS A 236 -0.345 36.651 19.096 1.00 0.00 C ATOM 729 C LYS A 236 -1.313 36.554 17.915 1.00 0.00 C ATOM 730 O LYS A 236 -2.120 37.450 17.667 1.00 0.00 O ATOM 731 CB LYS A 236 -1.062 36.769 20.453 1.00 0.00 C ATOM 732 CG LYS A 236 -2.075 35.643 20.733 1.00 0.00 C ATOM 733 CD LYS A 236 -3.544 35.991 20.442 1.00 0.00 C ATOM 734 CE LYS A 236 -4.063 37.093 21.371 1.00 0.00 C ATOM 735 NZ LYS A 236 -5.492 37.365 21.137 1.00 0.00 N ATOM 0 H LYS A 236 0.465 38.474 19.677 1.00 0.00 H new ATOM 0 HA LYS A 236 0.227 35.723 19.111 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.315 36.775 21.247 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -1.580 37.727 20.495 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.800 34.773 20.136 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.989 35.352 21.780 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -3.643 36.313 19.405 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -4.159 35.098 20.558 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -3.913 36.796 22.409 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -3.487 38.005 21.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -5.813 38.116 21.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -5.630 37.671 20.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -6.043 36.500 21.311 1.00 0.00 H new ATOM 749 N TRP A 237 -1.216 35.422 17.218 1.00 0.00 N ATOM 750 CA TRP A 237 -2.050 35.006 16.111 1.00 0.00 C ATOM 751 C TRP A 237 -2.392 33.531 16.303 1.00 0.00 C ATOM 752 O TRP A 237 -1.539 32.726 16.680 1.00 0.00 O ATOM 753 CB TRP A 237 -1.273 35.221 14.812 1.00 0.00 C ATOM 754 CG TRP A 237 -1.901 34.671 13.574 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.709 35.323 12.718 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.756 33.333 13.028 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.090 34.478 11.691 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.513 33.230 11.827 1.00 0.00 C ATOM 759 CE3 TRP A 237 -1.042 32.200 13.449 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.543 32.045 11.073 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -1.083 31.003 12.719 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.814 30.930 11.520 1.00 0.00 C ATOM 0 H TRP A 237 -0.499 34.729 17.434 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.973 35.584 16.067 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.123 36.292 14.675 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.286 34.773 14.924 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.015 36.354 12.818 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -3.717 34.742 10.931 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.451 32.251 14.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.119 31.992 10.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.551 30.135 13.079 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.815 30.017 10.943 1.00 0.00 H new ATOM 773 N PHE A 238 -3.651 33.189 16.019 1.00 0.00 N ATOM 774 CA PHE A 238 -4.187 31.842 16.155 1.00 0.00 C ATOM 775 C PHE A 238 -4.582 31.329 14.772 1.00 0.00 C ATOM 776 O PHE A 238 -5.230 32.031 13.995 1.00 0.00 O ATOM 777 CB PHE A 238 -5.373 31.819 17.136 1.00 0.00 C ATOM 778 CG PHE A 238 -5.049 31.709 18.624 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.998 32.438 19.221 1.00 0.00 C ATOM 780 CD2 PHE A 238 -5.845 30.878 19.439 1.00 0.00 C ATOM 781 CE1 PHE A 238 -3.736 32.318 20.597 1.00 0.00 C ATOM 782 CE2 PHE A 238 -5.597 30.775 20.819 1.00 0.00 C ATOM 783 CZ PHE A 238 -4.541 31.498 21.399 1.00 0.00 C ATOM 0 H PHE A 238 -4.339 33.861 15.680 1.00 0.00 H new ATOM 0 HA PHE A 238 -3.426 31.181 16.571 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.954 32.728 16.984 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -6.016 30.981 16.868 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.390 33.094 18.615 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -6.654 30.314 18.998 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.912 32.859 21.037 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -6.218 30.140 21.433 1.00 0.00 H new ATOM 0 HZ PHE A 238 -4.350 31.422 22.459 1.00 0.00 H new ATOM 793 N CYS A 239 -4.159 30.092 14.482 1.00 0.00 N ATOM 794 CA CYS A 239 -4.340 29.434 13.197 1.00 0.00 C ATOM 795 C CYS A 239 -5.820 29.107 12.905 1.00 0.00 C ATOM 796 O CYS A 239 -6.652 29.184 13.813 1.00 0.00 O ATOM 797 CB CYS A 239 -3.368 28.247 13.128 1.00 0.00 C ATOM 798 SG CYS A 239 -4.013 26.745 13.894 1.00 0.00 S ATOM 0 H CYS A 239 -3.667 29.510 15.161 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.086 30.106 12.378 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.132 28.041 12.084 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.434 28.523 13.617 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.328 25.720 13.483 1.00 0.00 H new ATOM 804 N PRO A 240 -6.181 28.750 11.655 1.00 0.00 N ATOM 805 CA PRO A 240 -7.576 28.563 11.261 1.00 0.00 C ATOM 806 C PRO A 240 -8.228 27.275 11.795 1.00 0.00 C ATOM 807 O PRO A 240 -9.391 27.015 11.490 1.00 0.00 O ATOM 808 CB PRO A 240 -7.587 28.623 9.730 1.00 0.00 C ATOM 809 CG PRO A 240 -6.191 28.140 9.352 1.00 0.00 C ATOM 810 CD PRO A 240 -5.314 28.650 10.489 1.00 0.00 C ATOM 0 HA PRO A 240 -8.188 29.346 11.708 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.362 27.984 9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -7.775 29.634 9.368 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.151 27.054 9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -5.874 28.543 8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.485 27.968 10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -4.880 29.619 10.242 1.00 0.00 H new ATOM 818 N ARG A 241 -7.498 26.507 12.618 1.00 0.00 N ATOM 819 CA ARG A 241 -7.971 25.352 13.367 1.00 0.00 C ATOM 820 C ARG A 241 -7.734 25.538 14.876 1.00 0.00 C ATOM 821 O ARG A 241 -7.689 24.563 15.624 1.00 0.00 O ATOM 822 CB ARG A 241 -7.365 24.053 12.814 1.00 0.00 C ATOM 823 CG ARG A 241 -7.616 23.888 11.303 1.00 0.00 C ATOM 824 CD ARG A 241 -7.603 22.420 10.864 1.00 0.00 C ATOM 825 NE ARG A 241 -8.818 21.737 11.330 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.205 20.491 11.033 1.00 0.00 C ATOM 827 NH1 ARG A 241 -8.467 19.682 10.269 1.00 0.00 N ATOM 828 NH2 ARG A 241 -10.368 20.060 11.520 1.00 0.00 N ATOM 0 H ARG A 241 -6.508 26.692 12.782 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.050 25.267 13.236 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.292 24.045 13.005 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.789 23.201 13.346 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.578 24.332 11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -6.854 24.436 10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -7.537 22.359 9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -6.721 21.921 11.265 1.00 0.00 H new ATOM 0 HE ARG A 241 -9.432 22.270 11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -7.577 20.008 9.892 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -8.793 18.738 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -10.937 20.675 12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.690 19.115 11.311 1.00 0.00 H new ATOM 842 N CYS A 242 -7.576 26.797 15.316 1.00 0.00 N ATOM 843 CA CYS A 242 -7.365 27.204 16.688 1.00 0.00 C ATOM 844 C CYS A 242 -8.261 28.386 17.096 1.00 0.00 C ATOM 845 O CYS A 242 -8.473 28.562 18.295 1.00 0.00 O ATOM 846 CB CYS A 242 -5.894 27.596 16.846 1.00 0.00 C ATOM 847 SG CYS A 242 -4.835 26.136 17.071 1.00 0.00 S ATOM 0 H CYS A 242 -7.595 27.592 14.677 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.626 26.370 17.339 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.568 28.151 15.966 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.784 28.262 17.702 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.209 25.879 15.961 1.00 0.00 H new ATOM 853 N SER A 243 -8.799 29.173 16.145 1.00 0.00 N ATOM 854 CA SER A 243 -9.711 30.280 16.453 1.00 0.00 C ATOM 855 C SER A 243 -10.720 30.554 15.334 1.00 0.00 C ATOM 856 O SER A 243 -11.869 30.876 15.634 1.00 0.00 O ATOM 857 CB SER A 243 -8.892 31.544 16.745 1.00 0.00 C ATOM 858 OG SER A 243 -9.724 32.611 17.151 1.00 0.00 O ATOM 0 H SER A 243 -8.612 29.057 15.149 1.00 0.00 H new ATOM 0 HA SER A 243 -10.291 29.990 17.329 1.00 0.00 H new ATOM 0 HB2 SER A 243 -8.160 31.334 17.525 1.00 0.00 H new ATOM 0 HB3 SER A 243 -8.335 31.833 15.854 1.00 0.00 H new ATOM 0 HG SER A 243 -9.176 33.403 17.332 1.00 0.00 H new ATOM 864 N GLN A 244 -10.316 30.410 14.063 1.00 0.00 N ATOM 865 CA GLN A 244 -11.213 30.628 12.921 1.00 0.00 C ATOM 866 C GLN A 244 -12.223 29.476 12.749 1.00 0.00 C ATOM 867 O GLN A 244 -13.211 29.629 12.033 1.00 0.00 O ATOM 868 CB GLN A 244 -10.387 30.839 11.639 1.00 0.00 C ATOM 869 CG GLN A 244 -11.085 31.718 10.587 1.00 0.00 C ATOM 870 CD GLN A 244 -11.321 33.162 11.045 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.589 33.702 11.871 1.00 0.00 O ATOM 872 NE2 GLN A 244 -12.358 33.803 10.508 1.00 0.00 N ATOM 0 H GLN A 244 -9.368 30.142 13.800 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.796 31.527 13.118 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.433 31.294 11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.165 29.868 11.197 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -10.483 31.729 9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.043 31.267 10.329 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -12.950 33.332 9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -12.560 34.765 10.781 1.00 0.00 H new ATOM 881 N GLU A 245 -11.987 28.341 13.424 1.00 0.00 N ATOM 882 CA GLU A 245 -12.830 27.147 13.410 1.00 0.00 C ATOM 883 C GLU A 245 -14.121 27.305 14.241 1.00 0.00 C ATOM 884 O GLU A 245 -14.922 26.371 14.297 1.00 0.00 O ATOM 885 CB GLU A 245 -11.961 25.978 13.907 1.00 0.00 C ATOM 886 CG GLU A 245 -12.483 24.583 13.529 1.00 0.00 C ATOM 887 CD GLU A 245 -11.409 23.506 13.717 1.00 0.00 C ATOM 888 OE1 GLU A 245 -10.803 23.473 14.811 1.00 0.00 O ATOM 889 OE2 GLU A 245 -11.202 22.725 12.761 1.00 0.00 O ATOM 0 H GLU A 245 -11.166 28.231 14.019 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.185 26.961 12.396 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -10.954 26.095 13.506 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -11.880 26.039 14.992 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -13.352 24.341 14.141 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -12.816 24.588 12.491 1.00 0.00 H new