USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 272 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 15:sc= -0.982 USER MOD Set 1.2: A 217 CYS SG : rot 140:sc= 0.0943 USER MOD Set 1.3: A 239 CYS SG : rot -74:sc= 0.385 USER MOD Set 1.4: A 242 CYS SG : rot -174:sc= 0.934 USER MOD Set 2.1: A 199 CYS SG : rot -107:sc= 0.806! USER MOD Set 2.2: A 201 CYS SG : rot 71:sc= 1.48 USER MOD Set 2.3: A 206 TYR OH : rot 170:sc= 0.0825 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.359 X(o=4,f=3.9) USER MOD Set 2.5: A 226 CYS SG : rot 86:sc= 1.96 USER MOD Set 3.1: A 197 THR OG1 : rot -32:sc= 0.134 USER MOD Set 3.2: A 202 HIS : no HD1:sc= 0 X(o=0.13,f=0.11) USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 GLN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 157:sc= -0.996 (180deg=-1.22) USER MOD Single : A 218 SER OG : rot -43:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -7.960 2.812 -8.692 1.00 0.00 N ATOM 149 CA THR A 197 -7.387 1.512 -8.322 1.00 0.00 C ATOM 150 C THR A 197 -5.862 1.524 -8.489 1.00 0.00 C ATOM 151 O THR A 197 -5.369 2.148 -9.430 1.00 0.00 O ATOM 152 CB THR A 197 -8.031 0.434 -9.212 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.852 0.726 -10.582 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.539 0.301 -8.953 1.00 0.00 C ATOM 0 HA THR A 197 -7.594 1.297 -7.274 1.00 0.00 H new ATOM 0 HB THR A 197 -7.533 -0.502 -8.957 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.849 1.697 -10.712 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.953 -0.471 -9.602 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.707 0.027 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.029 1.252 -9.161 1.00 0.00 H new ATOM 162 N TYR A 198 -5.110 0.859 -7.582 1.00 0.00 N ATOM 163 CA TYR A 198 -3.650 1.014 -7.554 1.00 0.00 C ATOM 164 C TYR A 198 -2.881 -0.152 -6.918 1.00 0.00 C ATOM 165 O TYR A 198 -1.829 -0.464 -7.477 1.00 0.00 O ATOM 166 CB TYR A 198 -3.195 2.297 -6.837 1.00 0.00 C ATOM 167 CG TYR A 198 -3.935 3.604 -7.078 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.182 3.843 -6.465 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.323 4.629 -7.828 1.00 0.00 C ATOM 170 CE1 TYR A 198 -5.799 5.098 -6.568 1.00 0.00 C ATOM 171 CE2 TYR A 198 -3.943 5.886 -7.951 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.180 6.130 -7.311 1.00 0.00 C ATOM 173 OH TYR A 198 -5.770 7.355 -7.400 1.00 0.00 O ATOM 0 H TYR A 198 -5.486 0.225 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.407 1.053 -8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.227 2.099 -5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.150 2.462 -7.100 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.666 3.052 -5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.374 4.448 -8.310 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -6.746 5.276 -6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -3.474 6.665 -8.534 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.212 7.948 -7.946 1.00 0.00 H new ATOM 183 N CYS A 199 -3.330 -0.789 -5.805 1.00 0.00 N ATOM 184 CA CYS A 199 -2.606 -1.958 -5.260 1.00 0.00 C ATOM 185 C CYS A 199 -2.330 -3.039 -6.318 1.00 0.00 C ATOM 186 O CYS A 199 -2.820 -3.015 -7.446 1.00 0.00 O ATOM 187 CB CYS A 199 -3.199 -2.611 -3.981 1.00 0.00 C ATOM 188 SG CYS A 199 -1.768 -3.172 -2.992 1.00 0.00 S ATOM 0 H CYS A 199 -4.165 -0.520 -5.284 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.666 -1.506 -4.943 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.803 -1.896 -3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.849 -3.448 -4.236 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.682 -4.468 -3.050 1.00 0.00 H new ATOM 193 N LEU A 200 -1.597 -4.058 -5.875 1.00 0.00 N ATOM 194 CA LEU A 200 -1.356 -5.295 -6.610 1.00 0.00 C ATOM 195 C LEU A 200 -2.660 -6.071 -6.833 1.00 0.00 C ATOM 196 O LEU A 200 -2.660 -7.093 -7.517 1.00 0.00 O ATOM 197 CB LEU A 200 -0.332 -6.181 -5.867 1.00 0.00 C ATOM 198 CG LEU A 200 0.814 -5.433 -5.154 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.692 -6.427 -4.382 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.688 -4.624 -6.124 1.00 0.00 C ATOM 0 H LEU A 200 -1.140 -4.044 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 200 -0.947 -5.026 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.866 -6.778 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 200 0.105 -6.877 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 200 0.349 -4.727 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.498 -5.889 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.087 -6.946 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.116 -7.153 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.478 -4.119 -5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 200 2.134 -5.295 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 200 1.074 -3.883 -6.636 1.00 0.00 H new ATOM 212 N CYS A 201 -3.765 -5.579 -6.252 1.00 0.00 N ATOM 213 CA CYS A 201 -5.093 -6.104 -6.387 1.00 0.00 C ATOM 214 C CYS A 201 -5.931 -5.328 -7.411 1.00 0.00 C ATOM 215 O CYS A 201 -6.976 -5.821 -7.832 1.00 0.00 O ATOM 216 CB CYS A 201 -5.729 -5.941 -5.021 1.00 0.00 C ATOM 217 SG CYS A 201 -5.014 -7.070 -3.799 1.00 0.00 S ATOM 0 H CYS A 201 -3.732 -4.759 -5.646 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.051 -7.137 -6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.602 -4.913 -4.682 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.801 -6.121 -5.097 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.806 -6.687 -3.508 1.00 0.00 H new ATOM 222 N HIS A 202 -5.474 -4.121 -7.780 1.00 0.00 N ATOM 223 CA HIS A 202 -6.123 -3.184 -8.686 1.00 0.00 C ATOM 224 C HIS A 202 -7.586 -2.931 -8.287 1.00 0.00 C ATOM 225 O HIS A 202 -8.490 -2.990 -9.122 1.00 0.00 O ATOM 226 CB HIS A 202 -5.894 -3.624 -10.142 1.00 0.00 C ATOM 227 CG HIS A 202 -6.065 -2.507 -11.140 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.104 -2.352 -12.028 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.190 -1.476 -11.361 1.00 0.00 C ATOM 230 CE1 HIS A 202 -6.850 -1.260 -12.770 1.00 0.00 C ATOM 231 NE2 HIS A 202 -5.695 -0.683 -12.396 1.00 0.00 N ATOM 0 H HIS A 202 -4.588 -3.760 -7.428 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.663 -2.199 -8.603 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -4.888 -4.034 -10.236 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -6.590 -4.427 -10.384 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.267 -1.305 -10.827 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -7.489 -0.895 -13.561 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -5.274 0.160 -12.787 1.00 0.00 H new ATOM 239 N GLN A 203 -7.804 -2.682 -6.985 1.00 0.00 N ATOM 240 CA GLN A 203 -9.094 -2.397 -6.379 1.00 0.00 C ATOM 241 C GLN A 203 -8.834 -1.804 -4.995 1.00 0.00 C ATOM 242 O GLN A 203 -7.873 -2.180 -4.331 1.00 0.00 O ATOM 243 CB GLN A 203 -9.971 -3.664 -6.292 1.00 0.00 C ATOM 244 CG GLN A 203 -9.437 -4.721 -5.314 1.00 0.00 C ATOM 245 CD GLN A 203 -10.100 -6.079 -5.514 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.018 -6.442 -4.785 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.627 -6.849 -6.495 1.00 0.00 N ATOM 0 H GLN A 203 -7.044 -2.676 -6.304 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.647 -1.687 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -10.978 -3.378 -5.989 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.051 -4.108 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.360 -4.822 -5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.604 -4.384 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -8.863 -6.515 -7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.030 -7.772 -6.658 1.00 0.00 H new ATOM 256 N VAL A 204 -9.722 -0.902 -4.583 1.00 0.00 N ATOM 257 CA VAL A 204 -9.776 -0.235 -3.269 1.00 0.00 C ATOM 258 C VAL A 204 -11.220 -0.293 -2.718 1.00 0.00 C ATOM 259 O VAL A 204 -12.094 -0.905 -3.333 1.00 0.00 O ATOM 260 CB VAL A 204 -9.163 1.197 -3.294 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.467 1.551 -1.957 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.116 1.377 -4.402 1.00 0.00 C ATOM 0 H VAL A 204 -10.477 -0.592 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.139 -0.779 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.012 1.856 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.053 2.558 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.193 1.505 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.664 0.840 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.724 2.394 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.301 0.669 -4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.578 1.196 -5.372 1.00 0.00 H new ATOM 272 N SER A 205 -11.460 0.305 -1.538 1.00 0.00 N ATOM 273 CA SER A 205 -12.715 0.238 -0.777 1.00 0.00 C ATOM 274 C SER A 205 -13.103 -1.204 -0.373 1.00 0.00 C ATOM 275 O SER A 205 -14.159 -1.713 -0.749 1.00 0.00 O ATOM 276 CB SER A 205 -13.814 1.026 -1.503 1.00 0.00 C ATOM 277 OG SER A 205 -14.908 1.262 -0.644 1.00 0.00 O ATOM 0 H SER A 205 -10.753 0.872 -1.071 1.00 0.00 H new ATOM 0 HA SER A 205 -12.567 0.730 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.413 1.975 -1.859 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.147 0.471 -2.380 1.00 0.00 H new ATOM 0 HG SER A 205 -15.598 1.767 -1.124 1.00 0.00 H new ATOM 283 N TYR A 206 -12.203 -1.866 0.370 1.00 0.00 N ATOM 284 CA TYR A 206 -12.275 -3.266 0.802 1.00 0.00 C ATOM 285 C TYR A 206 -11.361 -3.464 2.027 1.00 0.00 C ATOM 286 O TYR A 206 -10.139 -3.329 1.936 1.00 0.00 O ATOM 287 CB TYR A 206 -11.919 -4.240 -0.351 1.00 0.00 C ATOM 288 CG TYR A 206 -10.489 -4.269 -0.885 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.766 -3.078 -1.075 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.881 -5.496 -1.236 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.469 -3.103 -1.573 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.573 -5.526 -1.769 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.865 -4.314 -1.944 1.00 0.00 C ATOM 294 OH TYR A 206 -6.620 -4.247 -2.495 1.00 0.00 O ATOM 0 H TYR A 206 -11.355 -1.408 0.704 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.301 -3.499 1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.165 -5.248 -0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.578 -4.012 -1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.225 -2.131 -0.831 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.422 -6.420 -1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -7.919 -2.179 -1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.117 -6.467 -2.041 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.241 -5.149 -2.559 1.00 0.00 H new ATOM 304 N GLY A 207 -11.973 -3.774 3.180 1.00 0.00 N ATOM 305 CA GLY A 207 -11.321 -3.917 4.472 1.00 0.00 C ATOM 306 C GLY A 207 -10.672 -2.605 4.900 1.00 0.00 C ATOM 307 O GLY A 207 -11.357 -1.638 5.233 1.00 0.00 O ATOM 0 H GLY A 207 -12.979 -3.937 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -12.050 -4.228 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.566 -4.701 4.418 1.00 0.00 H new ATOM 311 N GLU A 208 -9.341 -2.614 4.870 1.00 0.00 N ATOM 312 CA GLU A 208 -8.453 -1.559 5.344 1.00 0.00 C ATOM 313 C GLU A 208 -7.284 -1.323 4.369 1.00 0.00 C ATOM 314 O GLU A 208 -7.072 -2.097 3.434 1.00 0.00 O ATOM 315 CB GLU A 208 -8.001 -1.905 6.773 1.00 0.00 C ATOM 316 CG GLU A 208 -6.949 -3.016 6.903 1.00 0.00 C ATOM 317 CD GLU A 208 -7.473 -4.398 6.507 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.075 -5.054 7.383 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.272 -4.775 5.332 1.00 0.00 O ATOM 0 H GLU A 208 -8.824 -3.407 4.491 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.984 -0.608 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.603 -1.001 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.879 -2.196 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.091 -2.768 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.594 -3.052 7.933 1.00 0.00 H new ATOM 326 N MET A 209 -6.539 -0.231 4.590 1.00 0.00 N ATOM 327 CA MET A 209 -5.558 0.301 3.641 1.00 0.00 C ATOM 328 C MET A 209 -4.301 0.835 4.331 1.00 0.00 C ATOM 329 O MET A 209 -4.318 1.170 5.515 1.00 0.00 O ATOM 330 CB MET A 209 -6.206 1.450 2.837 1.00 0.00 C ATOM 331 CG MET A 209 -7.445 1.051 2.024 1.00 0.00 C ATOM 332 SD MET A 209 -9.012 1.143 2.935 1.00 0.00 S ATOM 333 CE MET A 209 -10.080 0.271 1.771 1.00 0.00 C ATOM 0 H MET A 209 -6.604 0.315 5.449 1.00 0.00 H new ATOM 0 HA MET A 209 -5.257 -0.520 2.990 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.484 2.246 3.528 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.461 1.864 2.157 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.511 1.696 1.148 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.311 0.032 1.660 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.945 -0.128 2.300 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.415 0.962 0.997 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.526 -0.548 1.312 1.00 0.00 H new ATOM 343 N ILE A 210 -3.225 0.968 3.541 1.00 0.00 N ATOM 344 CA ILE A 210 -2.011 1.672 3.911 1.00 0.00 C ATOM 345 C ILE A 210 -1.616 2.527 2.698 1.00 0.00 C ATOM 346 O ILE A 210 -2.459 3.211 2.117 1.00 0.00 O ATOM 347 CB ILE A 210 -0.955 0.685 4.494 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.270 1.341 5.177 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.470 -0.447 3.569 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.086 2.352 6.273 1.00 0.00 C ATOM 0 H ILE A 210 -3.185 0.573 2.601 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.133 2.367 4.742 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.573 0.221 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.893 0.558 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.870 1.842 4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.261 -1.060 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.318 -1.066 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.009 -0.018 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.829 2.764 6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.682 3.158 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.658 1.854 7.055 1.00 0.00 H new ATOM 362 N GLY A 211 -0.336 2.519 2.347 1.00 0.00 N ATOM 363 CA GLY A 211 0.271 3.387 1.366 1.00 0.00 C ATOM 364 C GLY A 211 1.693 3.753 1.732 1.00 0.00 C ATOM 365 O GLY A 211 1.968 4.173 2.855 1.00 0.00 O ATOM 0 H GLY A 211 0.333 1.872 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.263 2.896 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.323 4.296 1.269 1.00 0.00 H new ATOM 369 N CYS A 212 2.586 3.584 0.748 1.00 0.00 N ATOM 370 CA CYS A 212 3.996 3.929 0.867 1.00 0.00 C ATOM 371 C CYS A 212 4.103 5.440 1.068 1.00 0.00 C ATOM 372 O CYS A 212 3.626 6.207 0.230 1.00 0.00 O ATOM 373 CB CYS A 212 4.792 3.457 -0.358 1.00 0.00 C ATOM 374 SG CYS A 212 6.523 3.983 -0.189 1.00 0.00 S ATOM 0 H CYS A 212 2.339 3.198 -0.163 1.00 0.00 H new ATOM 0 HA CYS A 212 4.432 3.419 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.737 2.372 -0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.361 3.873 -1.269 1.00 0.00 H new ATOM 0 HG CYS A 212 6.749 4.344 1.039 1.00 0.00 H new ATOM 379 N ASP A 213 4.739 5.842 2.178 1.00 0.00 N ATOM 380 CA ASP A 213 4.947 7.229 2.586 1.00 0.00 C ATOM 381 C ASP A 213 5.851 8.025 1.622 1.00 0.00 C ATOM 382 O ASP A 213 6.061 9.215 1.855 1.00 0.00 O ATOM 383 CB ASP A 213 5.490 7.249 4.026 1.00 0.00 C ATOM 384 CG ASP A 213 4.434 6.818 5.051 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.105 5.611 5.078 1.00 0.00 O ATOM 386 OD2 ASP A 213 3.996 7.700 5.821 1.00 0.00 O ATOM 0 H ASP A 213 5.138 5.177 2.841 1.00 0.00 H new ATOM 0 HA ASP A 213 3.984 7.738 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.353 6.587 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.839 8.253 4.267 1.00 0.00 H new ATOM 391 N ASP A 214 6.390 7.403 0.556 1.00 0.00 N ATOM 392 CA ASP A 214 7.059 8.088 -0.542 1.00 0.00 C ATOM 393 C ASP A 214 6.005 8.875 -1.342 1.00 0.00 C ATOM 394 O ASP A 214 5.124 8.251 -1.940 1.00 0.00 O ATOM 395 CB ASP A 214 7.748 7.028 -1.417 1.00 0.00 C ATOM 396 CG ASP A 214 8.443 7.576 -2.665 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.819 8.768 -2.657 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.588 6.773 -3.614 1.00 0.00 O ATOM 0 H ASP A 214 6.367 6.390 0.442 1.00 0.00 H new ATOM 0 HA ASP A 214 7.811 8.789 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.484 6.500 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.004 6.294 -1.726 1.00 0.00 H new ATOM 403 N PRO A 215 6.078 10.222 -1.391 1.00 0.00 N ATOM 404 CA PRO A 215 5.123 11.045 -2.129 1.00 0.00 C ATOM 405 C PRO A 215 5.388 11.057 -3.644 1.00 0.00 C ATOM 406 O PRO A 215 4.742 11.811 -4.369 1.00 0.00 O ATOM 407 CB PRO A 215 5.258 12.438 -1.511 1.00 0.00 C ATOM 408 CG PRO A 215 6.748 12.504 -1.182 1.00 0.00 C ATOM 409 CD PRO A 215 7.065 11.076 -0.738 1.00 0.00 C ATOM 0 HA PRO A 215 4.110 10.652 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.960 13.222 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.639 12.550 -0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.340 12.798 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 215 6.956 13.227 -0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.077 10.793 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.005 10.982 0.346 1.00 0.00 H new ATOM 417 N ASP A 216 6.308 10.205 -4.110 1.00 0.00 N ATOM 418 CA ASP A 216 6.631 9.988 -5.508 1.00 0.00 C ATOM 419 C ASP A 216 6.412 8.508 -5.880 1.00 0.00 C ATOM 420 O ASP A 216 6.717 8.115 -7.006 1.00 0.00 O ATOM 421 CB ASP A 216 8.069 10.477 -5.767 1.00 0.00 C ATOM 422 CG ASP A 216 8.416 10.566 -7.257 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.729 11.339 -7.961 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.375 9.875 -7.665 1.00 0.00 O ATOM 0 H ASP A 216 6.869 9.625 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 216 5.968 10.563 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.200 11.458 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.770 9.801 -5.277 1.00 0.00 H new ATOM 429 N CYS A 217 5.854 7.685 -4.965 1.00 0.00 N ATOM 430 CA CYS A 217 5.436 6.325 -5.287 1.00 0.00 C ATOM 431 C CYS A 217 4.356 6.363 -6.378 1.00 0.00 C ATOM 432 O CYS A 217 3.359 7.074 -6.261 1.00 0.00 O ATOM 433 CB CYS A 217 4.912 5.649 -4.021 1.00 0.00 C ATOM 434 SG CYS A 217 4.596 3.896 -4.343 1.00 0.00 S ATOM 0 H CYS A 217 5.687 7.952 -3.995 1.00 0.00 H new ATOM 0 HA CYS A 217 6.283 5.752 -5.665 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.638 5.754 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.996 6.138 -3.690 1.00 0.00 H new ATOM 0 HG CYS A 217 4.977 3.191 -3.319 1.00 0.00 H new ATOM 440 N SER A 218 4.565 5.556 -7.424 1.00 0.00 N ATOM 441 CA SER A 218 3.722 5.471 -8.622 1.00 0.00 C ATOM 442 C SER A 218 2.393 4.720 -8.379 1.00 0.00 C ATOM 443 O SER A 218 1.647 4.453 -9.318 1.00 0.00 O ATOM 444 CB SER A 218 4.556 4.806 -9.727 1.00 0.00 C ATOM 445 OG SER A 218 3.981 5.018 -11.000 1.00 0.00 O ATOM 0 H SER A 218 5.360 4.917 -7.461 1.00 0.00 H new ATOM 0 HA SER A 218 3.421 6.476 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 218 5.570 5.207 -9.712 1.00 0.00 H new ATOM 0 HB3 SER A 218 4.633 3.736 -9.534 1.00 0.00 H new ATOM 0 HG SER A 218 3.012 4.883 -10.948 1.00 0.00 H new ATOM 451 N ILE A 219 2.110 4.362 -7.118 1.00 0.00 N ATOM 452 CA ILE A 219 1.006 3.505 -6.693 1.00 0.00 C ATOM 453 C ILE A 219 0.299 4.131 -5.474 1.00 0.00 C ATOM 454 O ILE A 219 -0.926 4.087 -5.395 1.00 0.00 O ATOM 455 CB ILE A 219 1.582 2.107 -6.369 1.00 0.00 C ATOM 456 CG1 ILE A 219 2.294 1.397 -7.545 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.508 1.193 -5.770 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.378 0.972 -8.696 1.00 0.00 C ATOM 0 H ILE A 219 2.676 4.681 -6.332 1.00 0.00 H new ATOM 0 HA ILE A 219 0.261 3.406 -7.482 1.00 0.00 H new ATOM 0 HB ILE A 219 2.362 2.300 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 219 3.063 2.062 -7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.803 0.513 -7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.941 0.217 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.127 1.635 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.309 1.077 -6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.970 0.484 -9.471 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.624 0.278 -8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.887 1.851 -9.114 1.00 0.00 H new ATOM 470 N GLU A 220 1.077 4.762 -4.578 1.00 0.00 N ATOM 471 CA GLU A 220 0.666 5.612 -3.452 1.00 0.00 C ATOM 472 C GLU A 220 0.003 4.874 -2.270 1.00 0.00 C ATOM 473 O GLU A 220 0.382 5.130 -1.132 1.00 0.00 O ATOM 474 CB GLU A 220 -0.097 6.858 -3.970 1.00 0.00 C ATOM 475 CG GLU A 220 -1.545 7.064 -3.487 1.00 0.00 C ATOM 476 CD GLU A 220 -1.642 7.535 -2.031 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.003 8.562 -1.713 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.367 6.872 -1.257 1.00 0.00 O ATOM 0 H GLU A 220 2.093 4.683 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 220 1.579 5.971 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.478 7.742 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.110 6.814 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.034 7.795 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.093 6.128 -3.595 1.00 0.00 H new ATOM 485 N TRP A 221 -0.916 3.933 -2.527 1.00 0.00 N ATOM 486 CA TRP A 221 -1.668 3.159 -1.539 1.00 0.00 C ATOM 487 C TRP A 221 -1.467 1.669 -1.833 1.00 0.00 C ATOM 488 O TRP A 221 -1.319 1.254 -2.982 1.00 0.00 O ATOM 489 CB TRP A 221 -3.145 3.568 -1.521 1.00 0.00 C ATOM 490 CG TRP A 221 -4.037 2.604 -2.185 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.347 2.601 -3.488 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.583 1.392 -1.616 1.00 0.00 C ATOM 493 NE1 TRP A 221 -4.996 1.426 -3.788 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.138 0.622 -2.672 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.566 0.837 -0.323 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.644 -0.664 -2.453 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.115 -0.433 -0.091 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.614 -1.196 -1.152 1.00 0.00 C ATOM 0 H TRP A 221 -1.166 3.680 -3.483 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.295 3.366 -0.536 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.465 3.692 -0.487 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.249 4.539 -2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.124 3.392 -4.189 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.331 1.178 -4.719 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.128 1.391 0.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.052 -1.239 -3.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.153 -0.825 0.915 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -5.977 -2.197 -0.971 1.00 0.00 H new ATOM 509 N PHE A 222 -1.495 0.862 -0.773 1.00 0.00 N ATOM 510 CA PHE A 222 -1.231 -0.570 -0.828 1.00 0.00 C ATOM 511 C PHE A 222 -2.066 -1.263 0.235 1.00 0.00 C ATOM 512 O PHE A 222 -2.429 -0.664 1.244 1.00 0.00 O ATOM 513 CB PHE A 222 0.248 -0.854 -0.537 1.00 0.00 C ATOM 514 CG PHE A 222 1.195 -0.431 -1.635 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.604 0.911 -1.724 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.635 -1.369 -2.588 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.422 1.331 -2.777 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.485 -0.958 -3.626 1.00 0.00 C ATOM 519 CZ PHE A 222 2.880 0.388 -3.711 1.00 0.00 C ATOM 0 H PHE A 222 -1.707 1.196 0.167 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.482 -0.936 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.529 -0.343 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.372 -1.922 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.285 1.621 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.320 -2.400 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.699 2.371 -2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.834 -1.673 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.543 0.701 -4.504 1.00 0.00 H new ATOM 529 N HIS A 223 -2.359 -2.540 0.000 1.00 0.00 N ATOM 530 CA HIS A 223 -3.230 -3.316 0.859 1.00 0.00 C ATOM 531 C HIS A 223 -2.443 -3.897 2.036 1.00 0.00 C ATOM 532 O HIS A 223 -1.295 -4.316 1.896 1.00 0.00 O ATOM 533 CB HIS A 223 -3.912 -4.384 -0.006 1.00 0.00 C ATOM 534 CG HIS A 223 -5.200 -4.947 0.534 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.620 -6.264 0.345 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.184 -4.249 1.174 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.829 -6.335 0.929 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.195 -5.140 1.427 1.00 0.00 N ATOM 0 H HIS A 223 -1.994 -3.062 -0.797 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.004 -2.693 1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.110 -3.956 -0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.212 -5.207 -0.152 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.169 -3.200 1.431 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.427 -7.232 0.990 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.070 -4.933 1.908 1.00 0.00 H new ATOM 546 N PHE A 224 -3.118 -3.948 3.187 1.00 0.00 N ATOM 547 CA PHE A 224 -2.721 -4.632 4.422 1.00 0.00 C ATOM 548 C PHE A 224 -2.453 -6.136 4.257 1.00 0.00 C ATOM 549 O PHE A 224 -1.969 -6.758 5.199 1.00 0.00 O ATOM 550 CB PHE A 224 -3.832 -4.426 5.468 1.00 0.00 C ATOM 551 CG PHE A 224 -3.524 -3.468 6.604 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.093 -2.153 6.343 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.788 -3.862 7.931 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.928 -1.242 7.403 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.646 -2.945 8.984 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.213 -1.634 8.721 1.00 0.00 C ATOM 0 H PHE A 224 -4.019 -3.480 3.288 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.774 -4.193 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.724 -4.069 4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.080 -5.396 5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -2.889 -1.843 5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -4.101 -4.875 8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.581 -0.239 7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.870 -3.247 9.997 1.00 0.00 H new ATOM 0 HZ PHE A 224 -3.100 -0.929 9.531 1.00 0.00 H new ATOM 566 N ALA A 225 -2.736 -6.713 3.080 1.00 0.00 N ATOM 567 CA ALA A 225 -2.421 -8.086 2.732 1.00 0.00 C ATOM 568 C ALA A 225 -1.546 -8.179 1.474 1.00 0.00 C ATOM 569 O ALA A 225 -1.035 -9.260 1.188 1.00 0.00 O ATOM 570 CB ALA A 225 -3.720 -8.886 2.594 1.00 0.00 C ATOM 0 H ALA A 225 -3.206 -6.211 2.327 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.827 -8.522 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.486 -9.918 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.262 -8.865 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.338 -8.445 1.812 1.00 0.00 H new ATOM 576 N CYS A 226 -1.310 -7.063 0.756 1.00 0.00 N ATOM 577 CA CYS A 226 -0.309 -6.995 -0.307 1.00 0.00 C ATOM 578 C CYS A 226 1.130 -6.866 0.227 1.00 0.00 C ATOM 579 O CYS A 226 2.079 -6.878 -0.557 1.00 0.00 O ATOM 580 CB CYS A 226 -0.667 -5.862 -1.243 1.00 0.00 C ATOM 581 SG CYS A 226 -1.919 -6.453 -2.414 1.00 0.00 S ATOM 0 H CYS A 226 -1.812 -6.188 0.903 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.324 -7.938 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.049 -5.011 -0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.219 -5.519 -1.777 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.101 -6.322 -1.889 1.00 0.00 H new ATOM 587 N VAL A 227 1.279 -6.786 1.556 1.00 0.00 N ATOM 588 CA VAL A 227 2.540 -6.877 2.298 1.00 0.00 C ATOM 589 C VAL A 227 2.434 -7.903 3.448 1.00 0.00 C ATOM 590 O VAL A 227 3.426 -8.202 4.112 1.00 0.00 O ATOM 591 CB VAL A 227 2.964 -5.467 2.758 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.938 -4.860 3.726 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.375 -5.447 3.376 1.00 0.00 C ATOM 0 H VAL A 227 0.479 -6.649 2.174 1.00 0.00 H new ATOM 0 HA VAL A 227 3.331 -7.254 1.649 1.00 0.00 H new ATOM 0 HB VAL A 227 2.997 -4.848 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.268 -3.867 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.970 -4.785 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.847 -5.497 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.624 -4.431 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.401 -6.105 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.100 -5.791 2.638 1.00 0.00 H new ATOM 603 N GLY A 228 1.235 -8.461 3.666 1.00 0.00 N ATOM 604 CA GLY A 228 0.925 -9.375 4.761 1.00 0.00 C ATOM 605 C GLY A 228 1.026 -8.709 6.138 1.00 0.00 C ATOM 606 O GLY A 228 1.485 -9.352 7.081 1.00 0.00 O ATOM 0 H GLY A 228 0.433 -8.279 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.083 -9.768 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.606 -10.225 4.723 1.00 0.00 H new ATOM 610 N LEU A 229 0.654 -7.423 6.240 1.00 0.00 N ATOM 611 CA LEU A 229 0.767 -6.637 7.468 1.00 0.00 C ATOM 612 C LEU A 229 -0.179 -7.159 8.552 1.00 0.00 C ATOM 613 O LEU A 229 0.276 -7.448 9.658 1.00 0.00 O ATOM 614 CB LEU A 229 0.468 -5.144 7.190 1.00 0.00 C ATOM 615 CG LEU A 229 1.714 -4.236 7.199 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.309 -2.833 6.723 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.380 -4.133 8.582 1.00 0.00 C ATOM 0 H LEU A 229 0.262 -6.898 5.459 1.00 0.00 H new ATOM 0 HA LEU A 229 1.792 -6.736 7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.023 -5.058 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.237 -4.781 7.938 1.00 0.00 H new ATOM 0 HG LEU A 229 2.447 -4.685 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.183 -2.182 6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.905 -2.894 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.551 -2.426 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.250 -3.480 8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.669 -3.722 9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.693 -5.124 8.910 1.00 0.00 H new ATOM 746 N TRP A 237 6.150 3.998 6.419 1.00 0.00 N ATOM 747 CA TRP A 237 6.127 2.677 5.788 1.00 0.00 C ATOM 748 C TRP A 237 6.573 2.781 4.318 1.00 0.00 C ATOM 749 O TRP A 237 6.569 3.860 3.722 1.00 0.00 O ATOM 750 CB TRP A 237 4.719 2.080 5.939 1.00 0.00 C ATOM 751 CG TRP A 237 4.495 0.705 5.369 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.806 -0.471 5.961 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.938 0.341 4.071 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.481 -1.522 5.124 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.950 -1.078 3.931 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.469 1.085 2.971 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.512 -1.716 2.758 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.040 0.458 1.785 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.034 -0.942 1.690 1.00 0.00 C ATOM 0 HA TRP A 237 6.832 2.006 6.279 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.476 2.050 7.001 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.010 2.761 5.469 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.244 -0.574 6.943 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.617 -2.505 5.360 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.438 2.162 3.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.543 -2.793 2.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.715 1.056 0.947 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.662 -1.422 0.797 1.00 0.00 H new ATOM 770 N PHE A 238 6.936 1.635 3.728 1.00 0.00 N ATOM 771 CA PHE A 238 7.383 1.503 2.346 1.00 0.00 C ATOM 772 C PHE A 238 6.761 0.231 1.756 1.00 0.00 C ATOM 773 O PHE A 238 6.748 -0.809 2.417 1.00 0.00 O ATOM 774 CB PHE A 238 8.911 1.358 2.294 1.00 0.00 C ATOM 775 CG PHE A 238 9.760 2.495 2.829 1.00 0.00 C ATOM 776 CD1 PHE A 238 10.035 2.578 4.209 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.370 3.406 1.946 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.919 3.555 4.696 1.00 0.00 C ATOM 779 CE2 PHE A 238 11.257 4.381 2.434 1.00 0.00 C ATOM 780 CZ PHE A 238 11.545 4.444 3.807 1.00 0.00 C ATOM 0 H PHE A 238 6.924 0.744 4.224 1.00 0.00 H new ATOM 0 HA PHE A 238 7.083 2.388 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.178 0.456 2.845 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.194 1.192 1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.565 1.888 4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 238 10.155 3.355 0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 238 11.118 3.623 5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.717 5.082 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 238 12.247 5.175 4.179 1.00 0.00 H new ATOM 790 N CYS A 239 6.304 0.288 0.496 1.00 0.00 N ATOM 791 CA CYS A 239 5.836 -0.883 -0.236 1.00 0.00 C ATOM 792 C CYS A 239 6.985 -1.856 -0.558 1.00 0.00 C ATOM 793 O CYS A 239 8.149 -1.462 -0.452 1.00 0.00 O ATOM 794 CB CYS A 239 5.072 -0.378 -1.460 1.00 0.00 C ATOM 795 SG CYS A 239 6.151 0.210 -2.790 1.00 0.00 S ATOM 0 H CYS A 239 6.251 1.154 -0.040 1.00 0.00 H new ATOM 0 HA CYS A 239 5.158 -1.483 0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.441 -1.181 -1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.408 0.431 -1.156 1.00 0.00 H new ATOM 0 HG CYS A 239 6.653 1.364 -2.463 1.00 0.00 H new ATOM 801 N PRO A 240 6.693 -3.110 -0.970 1.00 0.00 N ATOM 802 CA PRO A 240 7.697 -4.128 -1.297 1.00 0.00 C ATOM 803 C PRO A 240 8.423 -3.866 -2.637 1.00 0.00 C ATOM 804 O PRO A 240 8.833 -4.808 -3.313 1.00 0.00 O ATOM 805 CB PRO A 240 6.942 -5.469 -1.242 1.00 0.00 C ATOM 806 CG PRO A 240 5.526 -5.087 -1.647 1.00 0.00 C ATOM 807 CD PRO A 240 5.363 -3.709 -1.012 1.00 0.00 C ATOM 0 HA PRO A 240 8.523 -4.119 -0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.372 -6.202 -1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.971 -5.907 -0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.409 -5.051 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.790 -5.797 -1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.678 -3.092 -1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.943 -3.791 -0.009 1.00 0.00 H new ATOM 815 N ARG A 241 8.600 -2.587 -3.011 1.00 0.00 N ATOM 816 CA ARG A 241 9.437 -2.135 -4.123 1.00 0.00 C ATOM 817 C ARG A 241 10.255 -0.914 -3.694 1.00 0.00 C ATOM 818 O ARG A 241 11.428 -0.806 -4.041 1.00 0.00 O ATOM 819 CB ARG A 241 8.583 -1.782 -5.353 1.00 0.00 C ATOM 820 CG ARG A 241 7.926 -3.001 -6.014 1.00 0.00 C ATOM 821 CD ARG A 241 7.171 -2.566 -7.274 1.00 0.00 C ATOM 822 NE ARG A 241 6.581 -3.716 -7.976 1.00 0.00 N ATOM 823 CZ ARG A 241 5.873 -3.645 -9.114 1.00 0.00 C ATOM 824 NH1 ARG A 241 5.617 -2.477 -9.711 1.00 0.00 N ATOM 825 NH2 ARG A 241 5.416 -4.767 -9.670 1.00 0.00 N ATOM 0 H ARG A 241 8.144 -1.815 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 241 10.109 -2.949 -4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.806 -1.078 -5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 241 9.210 -1.275 -6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.685 -3.740 -6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 241 7.240 -3.479 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 241 6.384 -1.862 -7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 241 7.852 -2.041 -7.944 1.00 0.00 H new ATOM 0 HE ARG A 241 6.721 -4.639 -7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.963 -1.609 -9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 241 5.076 -2.454 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 241 5.605 -5.668 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 241 4.877 -4.725 -10.535 1.00 0.00 H new ATOM 839 N CYS A 242 9.645 -0.030 -2.893 1.00 0.00 N ATOM 840 CA CYS A 242 10.248 1.118 -2.265 1.00 0.00 C ATOM 841 C CYS A 242 11.197 0.737 -1.118 1.00 0.00 C ATOM 842 O CYS A 242 12.131 1.484 -0.834 1.00 0.00 O ATOM 843 CB CYS A 242 9.063 1.914 -1.734 1.00 0.00 C ATOM 844 SG CYS A 242 8.296 2.918 -3.043 1.00 0.00 S ATOM 0 H CYS A 242 8.655 -0.117 -2.662 1.00 0.00 H new ATOM 0 HA CYS A 242 10.866 1.675 -2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.323 1.232 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.393 2.563 -0.922 1.00 0.00 H new ATOM 0 HG CYS A 242 7.374 3.675 -2.526 1.00 0.00 H new