USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=16 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= -6.93! USER MOD Set 1.2: A 214 ASN : amide:sc= 0.0501 K(o=-3.5,f=-6.7!) USER MOD Set 1.3: A 217 CYS SG : rot -166:sc= 1.52 USER MOD Set 1.4: A 239 CYS SG : rot 151:sc= 0.491 USER MOD Set 1.5: A 242 CYS SG : rot 109:sc= 1.4 USER MOD Set 2.1: A 206 TYR OH : rot -176:sc= 0.253 USER MOD Set 2.2: A 209 MET CE :methyl -155:sc= -0.465 (180deg=-2.52) USER MOD Set 3.1: A 203 GLN : amide:sc= -3.01 K(o=-5.1,f=-6!) USER MOD Set 3.2: A 223 HIS : no HD1:sc= -2.11 X(o=-5.1,f=-5.3) USER MOD Set 4.1: A 199 CYS SG : rot -150:sc= 0.545 USER MOD Set 4.2: A 201 CYS SG : rot 113:sc= 0.0864 USER MOD Set 4.3: A 226 CYS SG : rot 139:sc= 0.808 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= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot -35:sc= 0.136 USER MOD Single : A 230 THR OG1 : rot -36:sc= 0.137 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= -0.0902 X(o=-0.09,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 11.364 16.274 7.014 1.00 0.00 N ATOM 135 CA PRO A 196 10.737 17.253 7.899 1.00 0.00 C ATOM 136 C PRO A 196 9.507 17.899 7.247 1.00 0.00 C ATOM 137 O PRO A 196 9.406 17.976 6.022 1.00 0.00 O ATOM 138 CB PRO A 196 11.825 18.287 8.204 1.00 0.00 C ATOM 139 CG PRO A 196 12.719 18.233 6.968 1.00 0.00 C ATOM 140 CD PRO A 196 12.666 16.757 6.577 1.00 0.00 C ATOM 0 HA PRO A 196 10.366 16.786 8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.404 19.281 8.353 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.376 18.035 9.110 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.347 18.876 6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.736 18.557 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.787 16.634 5.501 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.470 16.197 7.054 1.00 0.00 H new ATOM 148 N THR A 197 8.578 18.378 8.085 1.00 0.00 N ATOM 149 CA THR A 197 7.299 18.939 7.672 1.00 0.00 C ATOM 150 C THR A 197 6.887 20.086 8.608 1.00 0.00 C ATOM 151 O THR A 197 7.550 20.361 9.609 1.00 0.00 O ATOM 152 CB THR A 197 6.208 17.845 7.635 1.00 0.00 C ATOM 153 OG1 THR A 197 6.003 17.295 8.920 1.00 0.00 O ATOM 154 CG2 THR A 197 6.501 16.703 6.653 1.00 0.00 C ATOM 0 H THR A 197 8.706 18.383 9.097 1.00 0.00 H new ATOM 0 HA THR A 197 7.410 19.341 6.665 1.00 0.00 H new ATOM 0 HB THR A 197 5.310 18.354 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 197 5.307 16.606 8.874 1.00 0.00 H new ATOM 0 HG21 THR A 197 5.689 15.977 6.687 1.00 0.00 H new ATOM 0 HG22 THR A 197 6.587 17.105 5.643 1.00 0.00 H new ATOM 0 HG23 THR A 197 7.435 16.215 6.931 1.00 0.00 H new ATOM 162 N TYR A 198 5.785 20.757 8.248 1.00 0.00 N ATOM 163 CA TYR A 198 5.339 22.005 8.870 1.00 0.00 C ATOM 164 C TYR A 198 3.824 22.035 9.114 1.00 0.00 C ATOM 165 O TYR A 198 3.423 21.776 10.245 1.00 0.00 O ATOM 166 CB TYR A 198 5.804 23.182 8.010 1.00 0.00 C ATOM 167 CG TYR A 198 7.312 23.337 7.920 1.00 0.00 C ATOM 168 CD1 TYR A 198 8.010 24.014 8.938 1.00 0.00 C ATOM 169 CD2 TYR A 198 8.016 22.794 6.827 1.00 0.00 C ATOM 170 CE1 TYR A 198 9.407 24.155 8.866 1.00 0.00 C ATOM 171 CE2 TYR A 198 9.414 22.922 6.753 1.00 0.00 C ATOM 172 CZ TYR A 198 10.115 23.606 7.771 1.00 0.00 C ATOM 173 OH TYR A 198 11.470 23.733 7.697 1.00 0.00 O ATOM 0 H TYR A 198 5.168 20.439 7.501 1.00 0.00 H new ATOM 0 HA TYR A 198 5.791 22.081 9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 198 5.403 23.062 7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 198 5.380 24.101 8.414 1.00 0.00 H new ATOM 0 HD1 TYR A 198 7.470 24.427 9.778 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.480 22.278 6.044 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.939 24.681 9.645 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.952 22.498 5.918 1.00 0.00 H new ATOM 0 HH TYR A 198 11.795 23.297 6.882 1.00 0.00 H new ATOM 183 N CYS A 199 2.993 22.345 8.095 1.00 0.00 N ATOM 184 CA CYS A 199 1.535 22.448 8.213 1.00 0.00 C ATOM 185 C CYS A 199 0.889 21.171 8.750 1.00 0.00 C ATOM 186 O CYS A 199 1.500 20.104 8.761 1.00 0.00 O ATOM 187 CB CYS A 199 0.842 22.963 6.925 1.00 0.00 C ATOM 188 SG CYS A 199 -0.680 23.853 7.385 1.00 0.00 S ATOM 0 H CYS A 199 3.331 22.533 7.151 1.00 0.00 H new ATOM 0 HA CYS A 199 1.367 23.219 8.965 1.00 0.00 H new ATOM 0 HB2 CYS A 199 1.513 23.623 6.375 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.605 22.128 6.265 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.558 23.732 6.434 1.00 0.00 H new ATOM 193 N LEU A 200 -0.389 21.294 9.130 1.00 0.00 N ATOM 194 CA LEU A 200 -1.266 20.181 9.506 1.00 0.00 C ATOM 195 C LEU A 200 -1.418 19.138 8.385 1.00 0.00 C ATOM 196 O LEU A 200 -1.921 18.040 8.619 1.00 0.00 O ATOM 197 CB LEU A 200 -2.619 20.733 9.993 1.00 0.00 C ATOM 198 CG LEU A 200 -3.463 21.379 8.872 1.00 0.00 C ATOM 199 CD1 LEU A 200 -4.508 20.416 8.288 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.186 22.632 9.382 1.00 0.00 C ATOM 0 H LEU A 200 -0.855 22.200 9.186 1.00 0.00 H new ATOM 0 HA LEU A 200 -0.800 19.640 10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.191 19.923 10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -2.440 21.472 10.774 1.00 0.00 H new ATOM 0 HG LEU A 200 -2.759 21.644 8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.072 20.923 7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.005 19.545 7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.189 20.096 9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -4.773 23.068 8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -4.847 22.361 10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -3.452 23.359 9.730 1.00 0.00 H new ATOM 212 N CYS A 201 -0.959 19.496 7.180 1.00 0.00 N ATOM 213 CA CYS A 201 -0.916 18.665 5.988 1.00 0.00 C ATOM 214 C CYS A 201 0.220 17.633 6.012 1.00 0.00 C ATOM 215 O CYS A 201 0.173 16.663 5.257 1.00 0.00 O ATOM 216 CB CYS A 201 -0.630 19.607 4.827 1.00 0.00 C ATOM 217 SG CYS A 201 -1.938 20.838 4.584 1.00 0.00 S ATOM 0 H CYS A 201 -0.587 20.430 7.009 1.00 0.00 H new ATOM 0 HA CYS A 201 -1.858 18.122 5.912 1.00 0.00 H new ATOM 0 HB2 CYS A 201 0.316 20.119 5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -0.511 19.025 3.913 1.00 0.00 H new ATOM 0 HG CYS A 201 -1.474 22.023 4.852 1.00 0.00 H new ATOM 223 N HIS A 202 1.242 17.875 6.845 1.00 0.00 N ATOM 224 CA HIS A 202 2.512 17.163 6.900 1.00 0.00 C ATOM 225 C HIS A 202 3.233 17.188 5.544 1.00 0.00 C ATOM 226 O HIS A 202 3.413 16.153 4.902 1.00 0.00 O ATOM 227 CB HIS A 202 2.357 15.760 7.518 1.00 0.00 C ATOM 228 CG HIS A 202 1.797 15.719 8.923 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.346 14.592 9.570 1.00 0.00 N ATOM 230 CD2 HIS A 202 1.660 16.761 9.806 1.00 0.00 C ATOM 231 CE1 HIS A 202 0.952 14.951 10.804 1.00 0.00 C ATOM 232 NE2 HIS A 202 1.122 16.268 10.997 1.00 0.00 N ATOM 0 H HIS A 202 1.194 18.621 7.539 1.00 0.00 H new ATOM 0 HA HIS A 202 3.173 17.696 7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 202 1.709 15.168 6.871 1.00 0.00 H new ATOM 0 HB3 HIS A 202 3.333 15.275 7.522 1.00 0.00 H new ATOM 0 HD2 HIS A 202 1.924 17.790 9.612 1.00 0.00 H new ATOM 0 HE1 HIS A 202 0.552 14.271 11.541 1.00 0.00 H new ATOM 0 HE2 HIS A 202 0.903 16.799 11.840 1.00 0.00 H new ATOM 240 N GLN A 203 3.648 18.395 5.128 1.00 0.00 N ATOM 241 CA GLN A 203 4.458 18.638 3.940 1.00 0.00 C ATOM 242 C GLN A 203 5.691 19.504 4.241 1.00 0.00 C ATOM 243 O GLN A 203 5.715 20.250 5.220 1.00 0.00 O ATOM 244 CB GLN A 203 3.587 19.190 2.791 1.00 0.00 C ATOM 245 CG GLN A 203 3.361 20.714 2.745 1.00 0.00 C ATOM 246 CD GLN A 203 2.529 21.290 3.888 1.00 0.00 C ATOM 247 OE1 GLN A 203 1.376 21.670 3.697 1.00 0.00 O ATOM 248 NE2 GLN A 203 3.108 21.440 5.075 1.00 0.00 N ATOM 0 H GLN A 203 3.417 19.252 5.631 1.00 0.00 H new ATOM 0 HA GLN A 203 4.860 17.682 3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 203 4.042 18.888 1.848 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.612 18.706 2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 203 4.333 21.208 2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.873 20.963 1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 203 4.066 21.120 5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.595 21.875 5.841 1.00 0.00 H new ATOM 257 N VAL A 204 6.704 19.396 3.371 1.00 0.00 N ATOM 258 CA VAL A 204 8.001 20.079 3.458 1.00 0.00 C ATOM 259 C VAL A 204 7.843 21.603 3.250 1.00 0.00 C ATOM 260 O VAL A 204 6.733 22.109 3.075 1.00 0.00 O ATOM 261 CB VAL A 204 9.014 19.456 2.447 1.00 0.00 C ATOM 262 CG1 VAL A 204 10.465 19.504 2.967 1.00 0.00 C ATOM 263 CG2 VAL A 204 8.734 17.980 2.092 1.00 0.00 C ATOM 0 H VAL A 204 6.637 18.800 2.546 1.00 0.00 H new ATOM 0 HA VAL A 204 8.402 19.934 4.461 1.00 0.00 H new ATOM 0 HB VAL A 204 8.884 20.075 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 204 11.131 19.059 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 204 10.755 20.540 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 204 10.535 18.947 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 204 9.485 17.627 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 204 8.775 17.374 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.744 17.895 1.643 1.00 0.00 H new ATOM 273 N SER A 205 8.970 22.327 3.286 1.00 0.00 N ATOM 274 CA SER A 205 9.107 23.772 3.093 1.00 0.00 C ATOM 275 C SER A 205 8.316 24.316 1.892 1.00 0.00 C ATOM 276 O SER A 205 8.094 23.628 0.895 1.00 0.00 O ATOM 277 CB SER A 205 10.594 24.141 3.004 1.00 0.00 C ATOM 278 OG SER A 205 11.217 23.514 1.902 1.00 0.00 O ATOM 0 H SER A 205 9.872 21.885 3.463 1.00 0.00 H new ATOM 0 HA SER A 205 8.663 24.255 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 205 10.697 25.222 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 205 11.099 23.847 3.924 1.00 0.00 H new ATOM 0 HG SER A 205 12.162 23.770 1.872 1.00 0.00 H new ATOM 284 N TYR A 206 7.890 25.578 2.026 1.00 0.00 N ATOM 285 CA TYR A 206 6.913 26.234 1.160 1.00 0.00 C ATOM 286 C TYR A 206 7.109 27.758 1.161 1.00 0.00 C ATOM 287 O TYR A 206 7.812 28.307 2.011 1.00 0.00 O ATOM 288 CB TYR A 206 5.499 25.848 1.637 1.00 0.00 C ATOM 289 CG TYR A 206 5.204 26.142 3.101 1.00 0.00 C ATOM 290 CD1 TYR A 206 5.740 25.318 4.112 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.384 27.228 3.461 1.00 0.00 C ATOM 292 CE1 TYR A 206 5.510 25.601 5.464 1.00 0.00 C ATOM 293 CE2 TYR A 206 4.094 27.466 4.817 1.00 0.00 C ATOM 294 CZ TYR A 206 4.663 26.664 5.824 1.00 0.00 C ATOM 295 OH TYR A 206 4.387 26.914 7.132 1.00 0.00 O ATOM 0 H TYR A 206 8.231 26.189 2.768 1.00 0.00 H new ATOM 0 HA TYR A 206 7.051 25.901 0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 206 4.769 26.376 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 206 5.352 24.782 1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 206 6.335 24.459 3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.979 27.877 2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.983 25.003 6.229 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.428 28.272 5.088 1.00 0.00 H new ATOM 0 HH TYR A 206 3.736 27.644 7.195 1.00 0.00 H new ATOM 305 N GLY A 207 6.478 28.430 0.188 1.00 0.00 N ATOM 306 CA GLY A 207 6.721 29.834 -0.125 1.00 0.00 C ATOM 307 C GLY A 207 6.121 30.836 0.865 1.00 0.00 C ATOM 308 O GLY A 207 6.800 31.804 1.205 1.00 0.00 O ATOM 0 H GLY A 207 5.773 28.000 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 207 7.798 29.997 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.320 30.043 -1.117 1.00 0.00 H new ATOM 312 N GLU A 208 4.885 30.610 1.338 1.00 0.00 N ATOM 313 CA GLU A 208 4.125 31.590 2.102 1.00 0.00 C ATOM 314 C GLU A 208 3.652 30.988 3.424 1.00 0.00 C ATOM 315 O GLU A 208 2.921 30.001 3.444 1.00 0.00 O ATOM 316 CB GLU A 208 3.007 32.141 1.211 1.00 0.00 C ATOM 317 CG GLU A 208 1.723 31.303 1.032 1.00 0.00 C ATOM 318 CD GLU A 208 1.930 29.875 0.510 1.00 0.00 C ATOM 319 OE1 GLU A 208 2.709 29.709 -0.455 1.00 0.00 O ATOM 320 OE2 GLU A 208 1.292 28.963 1.085 1.00 0.00 O ATOM 0 H GLU A 208 4.388 29.731 1.195 1.00 0.00 H new ATOM 0 HA GLU A 208 4.746 32.438 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.715 33.113 1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.429 32.316 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.209 31.249 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.060 31.829 0.345 1.00 0.00 H new ATOM 327 N MET A 209 4.076 31.601 4.536 1.00 0.00 N ATOM 328 CA MET A 209 3.967 30.983 5.857 1.00 0.00 C ATOM 329 C MET A 209 3.555 31.945 6.967 1.00 0.00 C ATOM 330 O MET A 209 3.964 33.107 6.993 1.00 0.00 O ATOM 331 CB MET A 209 5.336 30.399 6.303 1.00 0.00 C ATOM 332 CG MET A 209 6.357 29.920 5.258 1.00 0.00 C ATOM 333 SD MET A 209 7.980 29.510 5.974 1.00 0.00 S ATOM 334 CE MET A 209 7.638 28.015 6.951 1.00 0.00 C ATOM 0 H MET A 209 4.499 32.529 4.543 1.00 0.00 H new ATOM 0 HA MET A 209 3.197 30.222 5.732 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.828 31.160 6.909 1.00 0.00 H new ATOM 0 HB3 MET A 209 5.127 29.554 6.960 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.960 29.042 4.748 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.486 30.696 4.503 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.373 27.927 7.751 1.00 0.00 H new ATOM 0 HE2 MET A 209 6.639 28.083 7.382 1.00 0.00 H new ATOM 0 HE3 MET A 209 7.696 27.138 6.307 1.00 0.00 H new ATOM 344 N ILE A 210 2.848 31.368 7.946 1.00 0.00 N ATOM 345 CA ILE A 210 2.537 31.976 9.238 1.00 0.00 C ATOM 346 C ILE A 210 2.713 30.934 10.352 1.00 0.00 C ATOM 347 O ILE A 210 2.620 29.734 10.103 1.00 0.00 O ATOM 348 CB ILE A 210 1.129 32.606 9.209 1.00 0.00 C ATOM 349 CG1 ILE A 210 0.904 33.507 10.441 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.013 31.556 9.035 1.00 0.00 C ATOM 351 CD1 ILE A 210 -0.225 34.518 10.237 1.00 0.00 C ATOM 0 H ILE A 210 2.463 30.428 7.853 1.00 0.00 H new ATOM 0 HA ILE A 210 3.231 32.790 9.448 1.00 0.00 H new ATOM 0 HB ILE A 210 1.075 33.240 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.675 32.883 11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.827 34.041 10.669 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.956 32.054 9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.160 31.021 8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.046 30.849 9.864 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.338 35.124 11.136 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.013 35.164 9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.156 33.988 10.038 1.00 0.00 H new ATOM 363 N GLY A 211 2.964 31.403 11.579 1.00 0.00 N ATOM 364 CA GLY A 211 3.325 30.577 12.726 1.00 0.00 C ATOM 365 C GLY A 211 2.526 30.935 13.980 1.00 0.00 C ATOM 366 O GLY A 211 2.286 32.108 14.267 1.00 0.00 O ATOM 0 H GLY A 211 2.919 32.397 11.803 1.00 0.00 H new ATOM 0 HA2 GLY A 211 3.159 29.528 12.481 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.389 30.692 12.932 1.00 0.00 H new ATOM 370 N CYS A 212 2.113 29.887 14.706 1.00 0.00 N ATOM 371 CA CYS A 212 1.131 29.937 15.792 1.00 0.00 C ATOM 372 C CYS A 212 1.738 30.446 17.101 1.00 0.00 C ATOM 373 O CYS A 212 2.728 29.902 17.588 1.00 0.00 O ATOM 374 CB CYS A 212 0.427 28.570 15.945 1.00 0.00 C ATOM 375 SG CYS A 212 0.292 27.635 14.443 1.00 0.00 S ATOM 0 H CYS A 212 2.469 28.945 14.544 1.00 0.00 H new ATOM 0 HA CYS A 212 0.368 30.668 15.526 1.00 0.00 H new ATOM 0 HB2 CYS A 212 0.971 27.976 16.679 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.573 28.734 16.346 1.00 0.00 H new ATOM 0 HG CYS A 212 -0.674 26.772 14.554 1.00 0.00 H new ATOM 380 N ASP A 213 1.101 31.482 17.664 1.00 0.00 N ATOM 381 CA ASP A 213 1.506 32.211 18.868 1.00 0.00 C ATOM 382 C ASP A 213 1.365 31.390 20.168 1.00 0.00 C ATOM 383 O ASP A 213 1.699 31.885 21.244 1.00 0.00 O ATOM 384 CB ASP A 213 0.666 33.502 18.924 1.00 0.00 C ATOM 385 CG ASP A 213 1.121 34.498 19.991 1.00 0.00 C ATOM 386 OD1 ASP A 213 2.183 35.120 19.772 1.00 0.00 O ATOM 387 OD2 ASP A 213 0.381 34.652 20.988 1.00 0.00 O ATOM 0 H ASP A 213 0.239 31.853 17.266 1.00 0.00 H new ATOM 0 HA ASP A 213 2.571 32.435 18.802 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.702 33.989 17.949 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.375 33.237 19.110 1.00 0.00 H new ATOM 392 N ASN A 214 0.868 30.147 20.089 1.00 0.00 N ATOM 393 CA ASN A 214 0.587 29.314 21.249 1.00 0.00 C ATOM 394 C ASN A 214 1.875 28.919 21.996 1.00 0.00 C ATOM 395 O ASN A 214 2.895 28.671 21.352 1.00 0.00 O ATOM 396 CB ASN A 214 -0.041 27.986 20.811 1.00 0.00 C ATOM 397 CG ASN A 214 -1.340 28.037 20.017 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.436 28.652 18.955 1.00 0.00 O ATOM 399 ND2 ASN A 214 -2.310 27.239 20.447 1.00 0.00 N ATOM 0 H ASN A 214 0.650 29.693 19.202 1.00 0.00 H new ATOM 0 HA ASN A 214 -0.074 29.901 21.887 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.695 27.450 20.213 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.220 27.390 21.706 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.159 27.125 19.894 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.206 26.740 21.331 1.00 0.00 H new ATOM 406 N PRO A 215 1.809 28.736 23.328 1.00 0.00 N ATOM 407 CA PRO A 215 2.865 28.100 24.111 1.00 0.00 C ATOM 408 C PRO A 215 2.748 26.556 24.069 1.00 0.00 C ATOM 409 O PRO A 215 3.457 25.880 24.813 1.00 0.00 O ATOM 410 CB PRO A 215 2.640 28.636 25.530 1.00 0.00 C ATOM 411 CG PRO A 215 1.116 28.726 25.616 1.00 0.00 C ATOM 412 CD PRO A 215 0.719 29.152 24.203 1.00 0.00 C ATOM 0 HA PRO A 215 3.861 28.323 23.729 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.050 27.966 26.286 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.112 29.608 25.676 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.670 27.770 25.890 1.00 0.00 H new ATOM 0 HG3 PRO A 215 0.796 29.453 26.362 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -0.219 28.684 23.905 1.00 0.00 H new ATOM 0 HD3 PRO A 215 0.568 30.230 24.150 1.00 0.00 H new ATOM 420 N ASP A 216 1.849 26.003 23.231 1.00 0.00 N ATOM 421 CA ASP A 216 1.439 24.596 23.259 1.00 0.00 C ATOM 422 C ASP A 216 1.150 23.979 21.875 1.00 0.00 C ATOM 423 O ASP A 216 1.005 22.760 21.786 1.00 0.00 O ATOM 424 CB ASP A 216 0.197 24.522 24.170 1.00 0.00 C ATOM 425 CG ASP A 216 -0.306 23.099 24.419 1.00 0.00 C ATOM 426 OD1 ASP A 216 0.411 22.354 25.122 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.406 22.788 23.912 1.00 0.00 O ATOM 0 H ASP A 216 1.380 26.540 22.501 1.00 0.00 H new ATOM 0 HA ASP A 216 2.269 24.000 23.638 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.433 24.986 25.128 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.606 25.107 23.721 1.00 0.00 H new ATOM 432 N CYS A 217 1.078 24.776 20.796 1.00 0.00 N ATOM 433 CA CYS A 217 0.825 24.279 19.447 1.00 0.00 C ATOM 434 C CYS A 217 1.935 23.325 19.008 1.00 0.00 C ATOM 435 O CYS A 217 3.123 23.607 19.156 1.00 0.00 O ATOM 436 CB CYS A 217 0.628 25.431 18.457 1.00 0.00 C ATOM 437 SG CYS A 217 0.083 24.825 16.838 1.00 0.00 S ATOM 0 H CYS A 217 1.195 25.788 20.843 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.107 23.713 19.458 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.109 26.131 18.852 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.562 25.981 18.346 1.00 0.00 H new ATOM 0 HG CYS A 217 0.203 25.773 15.957 1.00 0.00 H new ATOM 443 N SER A 218 1.490 22.197 18.452 1.00 0.00 N ATOM 444 CA SER A 218 2.314 21.049 18.077 1.00 0.00 C ATOM 445 C SER A 218 2.475 20.942 16.549 1.00 0.00 C ATOM 446 O SER A 218 3.030 19.964 16.049 1.00 0.00 O ATOM 447 CB SER A 218 1.695 19.791 18.703 1.00 0.00 C ATOM 448 OG SER A 218 2.604 18.712 18.691 1.00 0.00 O ATOM 0 H SER A 218 0.502 22.053 18.242 1.00 0.00 H new ATOM 0 HA SER A 218 3.326 21.171 18.462 1.00 0.00 H new ATOM 0 HB2 SER A 218 1.393 20.003 19.729 1.00 0.00 H new ATOM 0 HB3 SER A 218 0.793 19.516 18.156 1.00 0.00 H new ATOM 0 HG SER A 218 3.154 18.756 17.881 1.00 0.00 H new ATOM 454 N ILE A 219 2.015 21.969 15.820 1.00 0.00 N ATOM 455 CA ILE A 219 2.169 22.125 14.376 1.00 0.00 C ATOM 456 C ILE A 219 2.996 23.395 14.101 1.00 0.00 C ATOM 457 O ILE A 219 3.921 23.331 13.296 1.00 0.00 O ATOM 458 CB ILE A 219 0.783 22.136 13.686 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.103 20.906 14.004 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.910 22.299 12.159 1.00 0.00 C ATOM 461 CD1 ILE A 219 0.436 19.547 13.535 1.00 0.00 C ATOM 0 H ILE A 219 1.504 22.744 16.244 1.00 0.00 H new ATOM 0 HA ILE A 219 2.710 21.280 13.951 1.00 0.00 H new ATOM 0 HB ILE A 219 0.277 23.003 14.110 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.254 20.862 15.083 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.082 21.062 13.551 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.083 22.302 11.710 1.00 0.00 H new ATOM 0 HG22 ILE A 219 1.413 23.239 11.934 1.00 0.00 H new ATOM 0 HG23 ILE A 219 1.490 21.471 11.752 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -0.267 18.761 13.812 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.559 19.558 12.452 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.399 19.355 14.007 1.00 0.00 H new ATOM 473 N GLU A 220 2.699 24.484 14.840 1.00 0.00 N ATOM 474 CA GLU A 220 3.353 25.802 14.953 1.00 0.00 C ATOM 475 C GLU A 220 3.763 26.566 13.673 1.00 0.00 C ATOM 476 O GLU A 220 4.089 27.744 13.788 1.00 0.00 O ATOM 477 CB GLU A 220 4.517 25.734 15.961 1.00 0.00 C ATOM 478 CG GLU A 220 5.726 24.923 15.465 1.00 0.00 C ATOM 479 CD GLU A 220 6.956 25.162 16.340 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.991 24.587 17.450 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.843 25.917 15.883 1.00 0.00 O ATOM 0 H GLU A 220 1.885 24.453 15.453 1.00 0.00 H new ATOM 0 HA GLU A 220 2.535 26.430 15.308 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.843 26.748 16.193 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.154 25.295 16.890 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.478 23.861 15.465 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.952 25.197 14.435 1.00 0.00 H new ATOM 488 N TRP A 221 3.710 25.965 12.477 1.00 0.00 N ATOM 489 CA TRP A 221 3.868 26.599 11.181 1.00 0.00 C ATOM 490 C TRP A 221 2.818 26.053 10.227 1.00 0.00 C ATOM 491 O TRP A 221 2.564 24.852 10.182 1.00 0.00 O ATOM 492 CB TRP A 221 5.219 26.252 10.586 1.00 0.00 C ATOM 493 CG TRP A 221 6.377 27.054 11.046 1.00 0.00 C ATOM 494 CD1 TRP A 221 7.374 26.621 11.843 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.707 28.424 10.682 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.324 27.608 11.958 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.992 28.724 11.213 1.00 0.00 C ATOM 498 CE3 TRP A 221 6.066 29.429 9.924 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.641 29.934 10.933 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.684 30.671 9.694 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.980 30.916 10.177 1.00 0.00 C ATOM 0 H TRP A 221 3.545 24.962 12.394 1.00 0.00 H new ATOM 0 HA TRP A 221 3.772 27.677 11.315 1.00 0.00 H new ATOM 0 HB2 TRP A 221 5.425 25.203 10.800 1.00 0.00 H new ATOM 0 HB3 TRP A 221 5.148 26.348 9.503 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.419 25.651 12.317 1.00 0.00 H new ATOM 0 HE1 TRP A 221 9.169 27.527 12.523 1.00 0.00 H new ATOM 0 HE3 TRP A 221 5.085 29.240 9.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.643 30.110 11.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.160 31.439 9.144 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.467 31.857 9.968 1.00 0.00 H new ATOM 512 N PHE A 222 2.210 26.972 9.480 1.00 0.00 N ATOM 513 CA PHE A 222 1.028 26.738 8.659 1.00 0.00 C ATOM 514 C PHE A 222 1.163 27.518 7.359 1.00 0.00 C ATOM 515 O PHE A 222 1.850 28.539 7.293 1.00 0.00 O ATOM 516 CB PHE A 222 -0.264 27.192 9.378 1.00 0.00 C ATOM 517 CG PHE A 222 -0.733 26.327 10.537 1.00 0.00 C ATOM 518 CD1 PHE A 222 0.107 26.143 11.643 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.019 25.746 10.557 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.271 25.320 12.701 1.00 0.00 C ATOM 521 CE2 PHE A 222 -2.452 25.031 11.694 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.573 24.844 12.777 1.00 0.00 C ATOM 0 H PHE A 222 2.541 27.936 9.429 1.00 0.00 H new ATOM 0 HA PHE A 222 0.957 25.667 8.466 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.110 28.206 9.749 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.066 27.240 8.641 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.062 26.647 11.676 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -2.671 25.849 9.703 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.448 25.052 13.461 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -3.454 24.629 11.733 1.00 0.00 H new ATOM 0 HZ PHE A 222 -1.911 24.331 13.666 1.00 0.00 H new ATOM 532 N HIS A 223 0.457 27.040 6.331 1.00 0.00 N ATOM 533 CA HIS A 223 0.291 27.787 5.096 1.00 0.00 C ATOM 534 C HIS A 223 -0.731 28.888 5.331 1.00 0.00 C ATOM 535 O HIS A 223 -1.674 28.722 6.108 1.00 0.00 O ATOM 536 CB HIS A 223 -0.172 26.879 3.940 1.00 0.00 C ATOM 537 CG HIS A 223 0.753 25.755 3.529 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.639 25.026 2.344 1.00 0.00 N ATOM 539 CD2 HIS A 223 1.875 25.336 4.182 1.00 0.00 C ATOM 540 CE1 HIS A 223 1.756 24.288 2.252 1.00 0.00 C ATOM 541 NE2 HIS A 223 2.502 24.433 3.359 1.00 0.00 N ATOM 0 H HIS A 223 -0.009 26.133 6.337 1.00 0.00 H new ATOM 0 HA HIS A 223 1.253 28.212 4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.131 26.442 4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.348 27.507 3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 223 2.207 25.654 5.159 1.00 0.00 H new ATOM 0 HE1 HIS A 223 2.018 23.666 1.408 1.00 0.00 H new ATOM 0 HE2 HIS A 223 3.382 23.955 3.555 1.00 0.00 H new ATOM 549 N PHE A 224 -0.549 29.997 4.609 1.00 0.00 N ATOM 550 CA PHE A 224 -1.581 31.027 4.520 1.00 0.00 C ATOM 551 C PHE A 224 -2.906 30.405 4.102 1.00 0.00 C ATOM 552 O PHE A 224 -3.904 30.583 4.785 1.00 0.00 O ATOM 553 CB PHE A 224 -1.202 32.120 3.509 1.00 0.00 C ATOM 554 CG PHE A 224 -0.117 33.106 3.886 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.369 33.231 5.204 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.405 33.929 2.870 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.430 34.108 5.471 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.480 34.788 3.138 1.00 0.00 C ATOM 559 CZ PHE A 224 2.025 34.830 4.428 1.00 0.00 C ATOM 0 H PHE A 224 0.299 30.202 4.081 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.675 31.482 5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.896 31.627 2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.103 32.689 3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -0.073 32.655 6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.025 33.898 1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 224 1.789 34.227 6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 224 1.885 35.413 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 224 2.908 35.422 4.619 1.00 0.00 H new ATOM 569 N ALA A 225 -2.901 29.617 3.030 1.00 0.00 N ATOM 570 CA ALA A 225 -4.100 29.007 2.492 1.00 0.00 C ATOM 571 C ALA A 225 -4.673 27.897 3.387 1.00 0.00 C ATOM 572 O ALA A 225 -5.834 27.535 3.196 1.00 0.00 O ATOM 573 CB ALA A 225 -3.804 28.480 1.084 1.00 0.00 C ATOM 0 H ALA A 225 -2.054 29.386 2.510 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.872 29.776 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -4.702 28.019 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.494 29.306 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.006 27.739 1.133 1.00 0.00 H new ATOM 579 N CYS A 226 -3.918 27.382 4.377 1.00 0.00 N ATOM 580 CA CYS A 226 -4.422 26.447 5.358 1.00 0.00 C ATOM 581 C CYS A 226 -5.232 27.131 6.476 1.00 0.00 C ATOM 582 O CYS A 226 -5.812 26.427 7.300 1.00 0.00 O ATOM 583 CB CYS A 226 -3.215 25.693 5.899 1.00 0.00 C ATOM 584 SG CYS A 226 -2.805 24.310 4.791 1.00 0.00 S ATOM 0 H CYS A 226 -2.934 27.616 4.505 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.131 25.761 4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.363 26.367 5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.428 25.318 6.900 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.514 24.229 4.658 1.00 0.00 H new ATOM 590 N VAL A 227 -5.312 28.473 6.475 1.00 0.00 N ATOM 591 CA VAL A 227 -6.203 29.285 7.310 1.00 0.00 C ATOM 592 C VAL A 227 -7.096 30.219 6.477 1.00 0.00 C ATOM 593 O VAL A 227 -8.082 30.751 6.983 1.00 0.00 O ATOM 594 CB VAL A 227 -5.383 30.030 8.387 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.507 31.175 7.860 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.273 30.559 9.525 1.00 0.00 C ATOM 0 H VAL A 227 -4.729 29.044 5.863 1.00 0.00 H new ATOM 0 HA VAL A 227 -6.896 28.619 7.825 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.705 29.265 8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -3.971 31.635 8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.790 30.782 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.137 31.922 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.655 31.076 10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.010 31.252 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.785 29.725 10.004 1.00 0.00 H new ATOM 606 N GLY A 228 -6.758 30.381 5.195 1.00 0.00 N ATOM 607 CA GLY A 228 -7.468 31.208 4.226 1.00 0.00 C ATOM 608 C GLY A 228 -6.856 32.605 4.060 1.00 0.00 C ATOM 609 O GLY A 228 -7.539 33.498 3.561 1.00 0.00 O ATOM 0 H GLY A 228 -5.945 29.917 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.471 30.703 3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.508 31.309 4.537 1.00 0.00 H new ATOM 613 N LEU A 229 -5.601 32.808 4.494 1.00 0.00 N ATOM 614 CA LEU A 229 -4.887 34.071 4.366 1.00 0.00 C ATOM 615 C LEU A 229 -4.452 34.330 2.917 1.00 0.00 C ATOM 616 O LEU A 229 -4.380 33.419 2.090 1.00 0.00 O ATOM 617 CB LEU A 229 -3.671 34.108 5.320 1.00 0.00 C ATOM 618 CG LEU A 229 -3.950 34.760 6.688 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.742 34.537 7.608 1.00 0.00 C ATOM 620 CD2 LEU A 229 -4.207 36.272 6.573 1.00 0.00 C ATOM 0 H LEU A 229 -5.052 32.080 4.951 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.573 34.869 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.322 33.088 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.860 34.649 4.833 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.848 34.295 7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.934 34.996 8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.577 33.468 7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.856 34.989 7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.398 36.685 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.333 36.758 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -5.072 36.446 5.934 1.00 0.00 H new ATOM 632 N THR A 230 -4.125 35.600 2.650 1.00 0.00 N ATOM 633 CA THR A 230 -3.667 36.116 1.358 1.00 0.00 C ATOM 634 C THR A 230 -2.524 37.141 1.513 1.00 0.00 C ATOM 635 O THR A 230 -1.967 37.604 0.519 1.00 0.00 O ATOM 636 CB THR A 230 -4.891 36.677 0.607 1.00 0.00 C ATOM 637 OG1 THR A 230 -4.577 36.946 -0.742 1.00 0.00 O ATOM 638 CG2 THR A 230 -5.492 37.939 1.242 1.00 0.00 C ATOM 0 H THR A 230 -4.175 36.328 3.363 1.00 0.00 H new ATOM 0 HA THR A 230 -3.231 35.310 0.767 1.00 0.00 H new ATOM 0 HB THR A 230 -5.646 35.893 0.674 1.00 0.00 H new ATOM 0 HG1 THR A 230 -3.657 37.278 -0.804 1.00 0.00 H new ATOM 0 HG21 THR A 230 -6.348 38.270 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.815 37.716 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 230 -4.741 38.728 1.264 1.00 0.00 H new ATOM 646 N THR A 231 -2.152 37.460 2.762 1.00 0.00 N ATOM 647 CA THR A 231 -1.060 38.354 3.155 1.00 0.00 C ATOM 648 C THR A 231 -0.378 37.810 4.423 1.00 0.00 C ATOM 649 O THR A 231 -0.790 36.781 4.965 1.00 0.00 O ATOM 650 CB THR A 231 -1.576 39.792 3.394 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.624 39.801 4.343 1.00 0.00 O ATOM 652 CG2 THR A 231 -2.044 40.492 2.114 1.00 0.00 C ATOM 0 H THR A 231 -2.638 37.075 3.572 1.00 0.00 H new ATOM 0 HA THR A 231 -0.333 38.393 2.344 1.00 0.00 H new ATOM 0 HB THR A 231 -0.722 40.351 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 231 -2.934 40.721 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 231 -2.393 41.496 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 231 -1.214 40.555 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 231 -2.858 39.923 1.665 1.00 0.00 H new ATOM 660 N LYS A 232 0.652 38.525 4.904 1.00 0.00 N ATOM 661 CA LYS A 232 1.402 38.193 6.110 1.00 0.00 C ATOM 662 C LYS A 232 1.105 39.234 7.204 1.00 0.00 C ATOM 663 O LYS A 232 1.782 40.263 7.253 1.00 0.00 O ATOM 664 CB LYS A 232 2.907 38.094 5.793 1.00 0.00 C ATOM 665 CG LYS A 232 3.655 37.430 6.966 1.00 0.00 C ATOM 666 CD LYS A 232 5.147 37.194 6.695 1.00 0.00 C ATOM 667 CE LYS A 232 5.370 36.106 5.638 1.00 0.00 C ATOM 668 NZ LYS A 232 6.802 35.799 5.468 1.00 0.00 N ATOM 0 H LYS A 232 0.989 39.372 4.447 1.00 0.00 H new ATOM 0 HA LYS A 232 1.089 37.218 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.057 37.515 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.314 39.088 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.551 38.056 7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.181 36.475 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.607 38.124 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.644 36.907 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 232 4.835 35.201 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 232 4.952 36.432 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 6.915 35.059 4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 7.308 36.657 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 7.195 35.464 6.371 1.00 0.00 H new ATOM 682 N PRO A 233 0.112 38.999 8.088 1.00 0.00 N ATOM 683 CA PRO A 233 -0.084 39.823 9.276 1.00 0.00 C ATOM 684 C PRO A 233 1.065 39.601 10.275 1.00 0.00 C ATOM 685 O PRO A 233 1.811 38.624 10.174 1.00 0.00 O ATOM 686 CB PRO A 233 -1.442 39.399 9.844 1.00 0.00 C ATOM 687 CG PRO A 233 -1.553 37.935 9.428 1.00 0.00 C ATOM 688 CD PRO A 233 -0.847 37.901 8.073 1.00 0.00 C ATOM 0 HA PRO A 233 -0.078 40.890 9.053 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -1.479 39.514 10.927 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -2.255 39.997 9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -1.072 37.274 10.149 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -2.593 37.617 9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 233 -0.344 36.946 7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -1.562 38.019 7.258 1.00 0.00 H new ATOM 696 N ARG A 234 1.189 40.508 11.253 1.00 0.00 N ATOM 697 CA ARG A 234 2.229 40.471 12.270 1.00 0.00 C ATOM 698 C ARG A 234 1.640 40.927 13.599 1.00 0.00 C ATOM 699 O ARG A 234 0.944 41.938 13.696 1.00 0.00 O ATOM 700 CB ARG A 234 3.420 41.331 11.835 1.00 0.00 C ATOM 701 CG ARG A 234 4.600 41.258 12.819 1.00 0.00 C ATOM 702 CD ARG A 234 5.858 41.924 12.247 1.00 0.00 C ATOM 703 NE ARG A 234 5.659 43.363 12.002 1.00 0.00 N ATOM 704 CZ ARG A 234 6.207 44.082 11.010 1.00 0.00 C ATOM 705 NH1 ARG A 234 7.041 43.540 10.119 1.00 0.00 N ATOM 706 NH2 ARG A 234 5.913 45.378 10.906 1.00 0.00 N ATOM 0 H ARG A 234 0.554 41.300 11.355 1.00 0.00 H new ATOM 0 HA ARG A 234 2.601 39.454 12.397 1.00 0.00 H new ATOM 0 HB2 ARG A 234 3.755 41.008 10.849 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.097 42.368 11.738 1.00 0.00 H new ATOM 0 HG2 ARG A 234 4.324 41.744 13.755 1.00 0.00 H new ATOM 0 HG3 ARG A 234 4.815 40.215 13.053 1.00 0.00 H new ATOM 0 HD2 ARG A 234 6.688 41.786 12.940 1.00 0.00 H new ATOM 0 HD3 ARG A 234 6.136 41.433 11.315 1.00 0.00 H new ATOM 0 HE ARG A 234 5.046 43.860 12.648 1.00 0.00 H new ATOM 0 HH11 ARG A 234 7.279 42.550 10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 234 7.440 44.116 9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 234 5.278 45.812 11.576 1.00 0.00 H new ATOM 0 HH22 ARG A 234 6.323 45.935 10.157 1.00 0.00 H new ATOM 720 N GLY A 235 1.938 40.109 14.603 1.00 0.00 N ATOM 721 CA GLY A 235 1.367 40.130 15.941 1.00 0.00 C ATOM 722 C GLY A 235 1.026 38.705 16.384 1.00 0.00 C ATOM 723 O GLY A 235 1.379 37.733 15.711 1.00 0.00 O ATOM 0 H GLY A 235 2.629 39.367 14.495 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.073 40.578 16.640 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.470 40.749 15.953 1.00 0.00 H new ATOM 727 N LYS A 236 0.315 38.583 17.512 1.00 0.00 N ATOM 728 CA LYS A 236 -0.247 37.322 17.968 1.00 0.00 C ATOM 729 C LYS A 236 -1.356 36.870 17.013 1.00 0.00 C ATOM 730 O LYS A 236 -2.348 37.566 16.798 1.00 0.00 O ATOM 731 CB LYS A 236 -0.705 37.412 19.435 1.00 0.00 C ATOM 732 CG LYS A 236 -1.734 38.505 19.770 1.00 0.00 C ATOM 733 CD LYS A 236 -2.031 38.504 21.274 1.00 0.00 C ATOM 734 CE LYS A 236 -3.065 39.580 21.612 1.00 0.00 C ATOM 735 NZ LYS A 236 -3.361 39.606 23.056 1.00 0.00 N ATOM 0 H LYS A 236 0.117 39.367 18.133 1.00 0.00 H new ATOM 0 HA LYS A 236 0.526 36.554 17.949 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -1.127 36.448 19.720 1.00 0.00 H new ATOM 0 HB3 LYS A 236 0.176 37.571 20.058 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.352 39.480 19.467 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.653 38.334 19.210 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -2.402 37.525 21.578 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.113 38.684 21.833 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -2.694 40.555 21.297 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -3.983 39.393 21.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -4.065 40.346 23.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -3.738 38.682 23.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -2.489 39.808 23.586 1.00 0.00 H new ATOM 749 N TRP A 237 -1.155 35.678 16.451 1.00 0.00 N ATOM 750 CA TRP A 237 -2.057 34.975 15.559 1.00 0.00 C ATOM 751 C TRP A 237 -2.198 33.539 16.054 1.00 0.00 C ATOM 752 O TRP A 237 -1.229 32.906 16.472 1.00 0.00 O ATOM 753 CB TRP A 237 -1.486 35.008 14.137 1.00 0.00 C ATOM 754 CG TRP A 237 -2.154 34.112 13.138 1.00 0.00 C ATOM 755 CD1 TRP A 237 -3.162 34.430 12.306 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.851 32.720 12.856 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.526 33.323 11.557 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.742 32.224 11.861 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.885 31.837 13.359 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.689 30.887 11.415 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.829 30.508 12.919 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.731 30.021 11.978 1.00 0.00 C ATOM 0 H TRP A 237 -0.300 35.149 16.622 1.00 0.00 H new ATOM 0 HA TRP A 237 -3.039 35.449 15.546 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.540 36.033 13.769 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.430 34.742 14.185 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.620 35.405 12.233 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.278 33.319 10.868 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.175 32.186 14.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.371 30.533 10.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.072 29.849 13.318 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.697 28.983 11.680 1.00 0.00 H new ATOM 773 N PHE A 238 -3.422 33.024 15.950 1.00 0.00 N ATOM 774 CA PHE A 238 -3.783 31.681 16.369 1.00 0.00 C ATOM 775 C PHE A 238 -4.424 30.954 15.194 1.00 0.00 C ATOM 776 O PHE A 238 -5.313 31.474 14.519 1.00 0.00 O ATOM 777 CB PHE A 238 -4.693 31.741 17.603 1.00 0.00 C ATOM 778 CG PHE A 238 -3.948 32.112 18.874 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.683 33.461 19.181 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.482 31.099 19.736 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.946 33.793 20.332 1.00 0.00 C ATOM 782 CE2 PHE A 238 -2.742 31.431 20.885 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.469 32.778 21.180 1.00 0.00 C ATOM 0 H PHE A 238 -4.207 33.547 15.561 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.898 31.118 16.665 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.486 32.468 17.428 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.174 30.772 17.740 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -4.047 34.243 18.531 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -3.694 30.064 19.513 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.746 34.829 20.565 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -2.384 30.651 21.541 1.00 0.00 H new ATOM 0 HZ PHE A 238 -1.893 33.033 22.057 1.00 0.00 H new ATOM 793 N CYS A 239 -3.914 29.740 14.965 1.00 0.00 N ATOM 794 CA CYS A 239 -4.262 28.859 13.862 1.00 0.00 C ATOM 795 C CYS A 239 -5.748 28.455 13.870 1.00 0.00 C ATOM 796 O CYS A 239 -6.438 28.704 14.862 1.00 0.00 O ATOM 797 CB CYS A 239 -3.265 27.695 13.899 1.00 0.00 C ATOM 798 SG CYS A 239 -3.757 26.394 15.056 1.00 0.00 S ATOM 0 H CYS A 239 -3.211 29.330 15.580 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.170 29.366 12.901 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.171 27.271 12.900 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.282 28.073 14.179 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.300 25.249 14.642 1.00 0.00 H new ATOM 804 N PRO A 240 -6.279 27.853 12.785 1.00 0.00 N ATOM 805 CA PRO A 240 -7.715 27.652 12.659 1.00 0.00 C ATOM 806 C PRO A 240 -8.269 26.684 13.706 1.00 0.00 C ATOM 807 O PRO A 240 -9.369 26.914 14.194 1.00 0.00 O ATOM 808 CB PRO A 240 -7.968 27.165 11.230 1.00 0.00 C ATOM 809 CG PRO A 240 -6.621 26.592 10.798 1.00 0.00 C ATOM 810 CD PRO A 240 -5.599 27.416 11.576 1.00 0.00 C ATOM 0 HA PRO A 240 -8.243 28.587 12.846 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.753 26.410 11.198 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.283 27.981 10.579 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.544 25.532 11.038 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.474 26.687 9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.718 26.821 11.816 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.257 28.269 10.990 1.00 0.00 H new ATOM 818 N ARG A 241 -7.498 25.665 14.111 1.00 0.00 N ATOM 819 CA ARG A 241 -7.887 24.700 15.135 1.00 0.00 C ATOM 820 C ARG A 241 -7.714 25.238 16.567 1.00 0.00 C ATOM 821 O ARG A 241 -7.901 24.489 17.525 1.00 0.00 O ATOM 822 CB ARG A 241 -7.136 23.376 14.922 1.00 0.00 C ATOM 823 CG ARG A 241 -7.397 22.806 13.518 1.00 0.00 C ATOM 824 CD ARG A 241 -7.050 21.315 13.453 1.00 0.00 C ATOM 825 NE ARG A 241 -7.280 20.758 12.110 1.00 0.00 N ATOM 826 CZ ARG A 241 -8.472 20.460 11.567 1.00 0.00 C ATOM 827 NH1 ARG A 241 -9.626 20.686 12.202 1.00 0.00 N ATOM 828 NH2 ARG A 241 -8.510 19.923 10.347 1.00 0.00 N ATOM 0 H ARG A 241 -6.570 25.490 13.725 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.956 24.516 15.024 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.067 23.536 15.059 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.449 22.652 15.675 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.444 22.950 13.253 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -6.804 23.353 12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -6.006 21.172 13.732 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -7.651 20.770 14.180 1.00 0.00 H new ATOM 0 HE ARG A 241 -6.455 20.581 11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -9.623 21.100 13.134 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -10.510 20.445 11.754 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -7.642 19.745 9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -9.407 19.691 9.920 1.00 0.00 H new ATOM 842 N CYS A 242 -7.367 26.526 16.717 1.00 0.00 N ATOM 843 CA CYS A 242 -7.074 27.186 17.976 1.00 0.00 C ATOM 844 C CYS A 242 -7.900 28.455 18.223 1.00 0.00 C ATOM 845 O CYS A 242 -7.940 28.915 19.364 1.00 0.00 O ATOM 846 CB CYS A 242 -5.590 27.555 17.969 1.00 0.00 C ATOM 847 SG CYS A 242 -4.558 26.122 18.380 1.00 0.00 S ATOM 0 H CYS A 242 -7.282 27.156 15.919 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.333 26.494 18.777 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.312 27.937 16.987 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.408 28.356 18.686 1.00 0.00 H new ATOM 0 HG CYS A 242 -3.918 25.730 17.319 1.00 0.00 H new ATOM 853 N SER A 243 -8.551 29.015 17.193 1.00 0.00 N ATOM 854 CA SER A 243 -9.357 30.228 17.324 1.00 0.00 C ATOM 855 C SER A 243 -10.520 30.284 16.329 1.00 0.00 C ATOM 856 O SER A 243 -11.566 30.837 16.667 1.00 0.00 O ATOM 857 CB SER A 243 -8.441 31.446 17.138 1.00 0.00 C ATOM 858 OG SER A 243 -9.135 32.646 17.410 1.00 0.00 O ATOM 0 H SER A 243 -8.531 28.636 16.246 1.00 0.00 H new ATOM 0 HA SER A 243 -9.806 30.228 18.317 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.579 31.362 17.800 1.00 0.00 H new ATOM 0 HB3 SER A 243 -8.059 31.466 16.117 1.00 0.00 H new ATOM 0 HG SER A 243 -8.531 33.408 17.287 1.00 0.00 H new ATOM 864 N GLN A 244 -10.356 29.720 15.124 1.00 0.00 N ATOM 865 CA GLN A 244 -11.380 29.779 14.075 1.00 0.00 C ATOM 866 C GLN A 244 -12.415 28.645 14.190 1.00 0.00 C ATOM 867 O GLN A 244 -13.516 28.777 13.655 1.00 0.00 O ATOM 868 CB GLN A 244 -10.699 29.768 12.693 1.00 0.00 C ATOM 869 CG GLN A 244 -11.596 30.205 11.523 1.00 0.00 C ATOM 870 CD GLN A 244 -12.092 31.644 11.665 1.00 0.00 C ATOM 871 OE1 GLN A 244 -11.392 32.586 11.305 1.00 0.00 O ATOM 872 NE2 GLN A 244 -13.302 31.827 12.192 1.00 0.00 N ATOM 0 H GLN A 244 -9.514 29.213 14.851 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.935 30.709 14.202 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.829 30.423 12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.332 28.761 12.493 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.042 30.107 10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.453 29.535 11.457 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -13.859 31.023 12.481 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -13.671 32.771 12.306 1.00 0.00 H new ATOM 881 N GLU A 245 -12.078 27.548 14.886 1.00 0.00 N ATOM 882 CA GLU A 245 -12.919 26.358 15.018 1.00 0.00 C ATOM 883 C GLU A 245 -14.083 26.579 16.002 1.00 0.00 C ATOM 884 O GLU A 245 -15.091 25.878 15.921 1.00 0.00 O ATOM 885 CB GLU A 245 -12.011 25.186 15.431 1.00 0.00 C ATOM 886 CG GLU A 245 -12.642 23.800 15.256 1.00 0.00 C ATOM 887 CD GLU A 245 -11.582 22.705 15.419 1.00 0.00 C ATOM 888 OE1 GLU A 245 -10.908 22.397 14.409 1.00 0.00 O ATOM 889 OE2 GLU A 245 -11.449 22.202 16.556 1.00 0.00 O ATOM 0 H GLU A 245 -11.191 27.466 15.383 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.396 26.130 14.065 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.093 25.230 14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -11.728 25.313 16.476 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -13.435 23.659 15.990 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -13.103 23.725 14.271 1.00 0.00 H new