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 -169:sc= -1.55! USER MOD Set 1.2: A 217 CYS SG : rot -150:sc= 0.633 USER MOD Set 1.3: A 239 CYS SG : rot -74:sc= -0.258 USER MOD Set 1.4: A 242 CYS SG : rot 97:sc= 0.811 USER MOD Set 2.1: A 199 CYS SG : rot -168:sc= -0.957 USER MOD Set 2.2: A 201 CYS SG : rot 79:sc= 1.36 USER MOD Set 2.3: A 206 TYR OH : rot 175:sc= 0.147 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.718 K(o=0.062,f=0.56) USER MOD Set 2.5: A 226 CYS SG : rot -33:sc= 0.23 USER MOD Single : A 197 THR OG1 : rot 151:sc= 0.0155 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.25) USER MOD Single : A 203 GLN : amide:sc= 0.299 X(o=0.3,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 146:sc= -2.22! (180deg=-3.31!) USER MOD Single : A 218 SER OG : rot -39:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.329 2.638 -8.597 1.00 0.00 N ATOM 149 CA THR A 197 -7.718 1.382 -8.138 1.00 0.00 C ATOM 150 C THR A 197 -6.198 1.345 -8.378 1.00 0.00 C ATOM 151 O THR A 197 -5.718 1.906 -9.360 1.00 0.00 O ATOM 152 CB THR A 197 -8.474 0.143 -8.631 1.00 0.00 C ATOM 153 OG1 THR A 197 -8.000 -0.348 -9.866 1.00 0.00 O ATOM 154 CG2 THR A 197 -10.002 0.285 -8.686 1.00 0.00 C ATOM 0 HA THR A 197 -7.826 1.352 -7.054 1.00 0.00 H new ATOM 0 HB THR A 197 -8.255 -0.587 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 197 -8.154 -1.315 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 197 -10.441 -0.645 -9.047 1.00 0.00 H new ATOM 0 HG22 THR A 197 -10.383 0.503 -7.688 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.268 1.098 -9.362 1.00 0.00 H new ATOM 162 N TYR A 198 -5.418 0.725 -7.467 1.00 0.00 N ATOM 163 CA TYR A 198 -3.958 0.920 -7.494 1.00 0.00 C ATOM 164 C TYR A 198 -3.134 -0.206 -6.863 1.00 0.00 C ATOM 165 O TYR A 198 -2.104 -0.557 -7.438 1.00 0.00 O ATOM 166 CB TYR A 198 -3.585 2.219 -6.765 1.00 0.00 C ATOM 167 CG TYR A 198 -4.415 3.462 -7.060 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.619 3.702 -6.364 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.996 4.368 -8.054 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.400 4.833 -6.651 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.774 5.500 -8.354 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.980 5.738 -7.653 1.00 0.00 C ATOM 173 OH TYR A 198 -6.744 6.826 -7.950 1.00 0.00 O ATOM 0 H TYR A 198 -5.760 0.108 -6.731 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.712 0.945 -8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.637 2.028 -5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.545 2.447 -6.998 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.943 3.008 -5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -3.074 4.192 -8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.317 5.011 -6.109 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.451 6.189 -9.120 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.312 7.345 -8.660 1.00 0.00 H new ATOM 183 N CYS A 199 -3.561 -0.761 -5.712 1.00 0.00 N ATOM 184 CA CYS A 199 -3.044 -1.979 -5.093 1.00 0.00 C ATOM 185 C CYS A 199 -2.691 -3.081 -6.091 1.00 0.00 C ATOM 186 O CYS A 199 -3.115 -3.102 -7.247 1.00 0.00 O ATOM 187 CB CYS A 199 -4.159 -2.575 -4.209 1.00 0.00 C ATOM 188 SG CYS A 199 -5.763 -2.454 -4.947 1.00 0.00 S ATOM 0 H CYS A 199 -4.315 -0.343 -5.167 1.00 0.00 H new ATOM 0 HA CYS A 199 -2.142 -1.687 -4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.935 -3.623 -4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.167 -2.061 -3.248 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.671 -2.734 -4.060 1.00 0.00 H new ATOM 193 N LEU A 200 -2.031 -4.103 -5.548 1.00 0.00 N ATOM 194 CA LEU A 200 -1.818 -5.359 -6.249 1.00 0.00 C ATOM 195 C LEU A 200 -3.140 -6.126 -6.372 1.00 0.00 C ATOM 196 O LEU A 200 -3.176 -7.156 -7.043 1.00 0.00 O ATOM 197 CB LEU A 200 -0.764 -6.224 -5.530 1.00 0.00 C ATOM 198 CG LEU A 200 0.417 -5.447 -4.920 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.337 -6.410 -4.159 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.238 -4.683 -5.972 1.00 0.00 C ATOM 0 H LEU A 200 -1.631 -4.079 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.444 -5.132 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.258 -6.785 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.371 -6.953 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 200 -0.009 -4.708 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.171 -5.854 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.775 -6.895 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.720 -7.166 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.056 -4.155 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.644 -5.387 -6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.597 -3.965 -6.483 1.00 0.00 H new ATOM 212 N CYS A 201 -4.222 -5.629 -5.738 1.00 0.00 N ATOM 213 CA CYS A 201 -5.543 -6.179 -5.867 1.00 0.00 C ATOM 214 C CYS A 201 -6.371 -5.427 -6.919 1.00 0.00 C ATOM 215 O CYS A 201 -7.421 -5.927 -7.319 1.00 0.00 O ATOM 216 CB CYS A 201 -6.186 -6.036 -4.502 1.00 0.00 C ATOM 217 SG CYS A 201 -5.423 -7.117 -3.262 1.00 0.00 S ATOM 0 H CYS A 201 -4.178 -4.821 -5.117 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.496 -7.217 -6.195 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -6.108 -5.000 -4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -7.248 -6.268 -4.578 1.00 0.00 H new ATOM 0 HG CYS A 201 -4.305 -6.592 -2.858 1.00 0.00 H new ATOM 222 N HIS A 202 -5.896 -4.239 -7.335 1.00 0.00 N ATOM 223 CA HIS A 202 -6.554 -3.299 -8.241 1.00 0.00 C ATOM 224 C HIS A 202 -8.032 -3.071 -7.877 1.00 0.00 C ATOM 225 O HIS A 202 -8.915 -3.173 -8.729 1.00 0.00 O ATOM 226 CB HIS A 202 -6.264 -3.649 -9.714 1.00 0.00 C ATOM 227 CG HIS A 202 -6.703 -5.023 -10.160 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.980 -5.405 -10.501 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.907 -6.132 -10.281 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.949 -6.712 -10.810 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.704 -7.204 -10.694 1.00 0.00 N ATOM 0 H HIS A 202 -4.987 -3.895 -7.025 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.113 -2.311 -8.105 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.753 -2.908 -10.347 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.192 -3.557 -9.886 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.845 -6.171 -10.090 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.810 -7.290 -11.111 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.402 -8.162 -10.871 1.00 0.00 H new ATOM 239 N GLN A 203 -8.290 -2.754 -6.593 1.00 0.00 N ATOM 240 CA GLN A 203 -9.614 -2.466 -6.050 1.00 0.00 C ATOM 241 C GLN A 203 -9.434 -1.875 -4.654 1.00 0.00 C ATOM 242 O GLN A 203 -8.573 -2.331 -3.913 1.00 0.00 O ATOM 243 CB GLN A 203 -10.490 -3.737 -5.992 1.00 0.00 C ATOM 244 CG GLN A 203 -9.957 -4.835 -5.055 1.00 0.00 C ATOM 245 CD GLN A 203 -10.651 -6.172 -5.300 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.643 -6.493 -4.653 1.00 0.00 O ATOM 247 NE2 GLN A 203 -10.130 -6.965 -6.236 1.00 0.00 N ATOM 0 H GLN A 203 -7.553 -2.692 -5.890 1.00 0.00 H new ATOM 0 HA GLN A 203 -10.127 -1.757 -6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.493 -3.458 -5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.580 -4.147 -6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.883 -4.950 -5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -10.105 -4.532 -4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.304 -6.667 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.557 -7.870 -6.433 1.00 0.00 H new ATOM 256 N VAL A 204 -10.256 -0.887 -4.298 1.00 0.00 N ATOM 257 CA VAL A 204 -10.285 -0.225 -2.976 1.00 0.00 C ATOM 258 C VAL A 204 -11.710 -0.295 -2.371 1.00 0.00 C ATOM 259 O VAL A 204 -12.597 -0.930 -2.941 1.00 0.00 O ATOM 260 CB VAL A 204 -9.651 1.202 -3.013 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.917 1.545 -1.690 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.642 1.387 -4.162 1.00 0.00 C ATOM 0 H VAL A 204 -10.950 -0.505 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.641 -0.774 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.497 1.872 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.491 2.546 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.624 1.508 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -8.119 0.822 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -8.238 2.399 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.830 0.669 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -9.143 1.225 -5.116 1.00 0.00 H new ATOM 272 N SER A 205 -11.913 0.312 -1.190 1.00 0.00 N ATOM 273 CA SER A 205 -13.102 0.210 -0.327 1.00 0.00 C ATOM 274 C SER A 205 -13.389 -1.217 0.203 1.00 0.00 C ATOM 275 O SER A 205 -14.464 -1.770 -0.033 1.00 0.00 O ATOM 276 CB SER A 205 -14.306 0.895 -0.995 1.00 0.00 C ATOM 277 OG SER A 205 -15.365 1.042 -0.073 1.00 0.00 O ATOM 0 H SER A 205 -11.206 0.926 -0.787 1.00 0.00 H new ATOM 0 HA SER A 205 -12.885 0.759 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 205 -14.010 1.872 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.639 0.306 -1.850 1.00 0.00 H new ATOM 0 HG SER A 205 -16.123 1.481 -0.513 1.00 0.00 H new ATOM 283 N TYR A 206 -12.413 -1.814 0.911 1.00 0.00 N ATOM 284 CA TYR A 206 -12.436 -3.178 1.456 1.00 0.00 C ATOM 285 C TYR A 206 -11.328 -3.336 2.519 1.00 0.00 C ATOM 286 O TYR A 206 -10.137 -3.288 2.204 1.00 0.00 O ATOM 287 CB TYR A 206 -12.292 -4.245 0.334 1.00 0.00 C ATOM 288 CG TYR A 206 -10.939 -4.355 -0.365 1.00 0.00 C ATOM 289 CD1 TYR A 206 -10.273 -3.193 -0.785 1.00 0.00 C ATOM 290 CD2 TYR A 206 -10.303 -5.605 -0.548 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.971 -3.254 -1.264 1.00 0.00 C ATOM 292 CE2 TYR A 206 -9.013 -5.678 -1.122 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.332 -4.486 -1.463 1.00 0.00 C ATOM 294 OH TYR A 206 -7.078 -4.460 -2.002 1.00 0.00 O ATOM 0 H TYR A 206 -11.542 -1.330 1.128 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.404 -3.342 1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.529 -5.219 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -13.047 -4.039 -0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.779 -2.240 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.807 -6.511 -0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.443 -2.339 -1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.550 -6.638 -1.299 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.709 -5.368 -2.016 1.00 0.00 H new ATOM 304 N GLY A 207 -11.709 -3.536 3.789 1.00 0.00 N ATOM 305 CA GLY A 207 -10.797 -3.767 4.893 1.00 0.00 C ATOM 306 C GLY A 207 -9.908 -2.570 5.229 1.00 0.00 C ATOM 307 O GLY A 207 -10.034 -1.472 4.689 1.00 0.00 O ATOM 0 H GLY A 207 -12.689 -3.540 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.375 -4.036 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.163 -4.621 4.654 1.00 0.00 H new ATOM 311 N GLU A 208 -9.000 -2.849 6.161 1.00 0.00 N ATOM 312 CA GLU A 208 -7.870 -2.003 6.558 1.00 0.00 C ATOM 313 C GLU A 208 -6.890 -1.769 5.390 1.00 0.00 C ATOM 314 O GLU A 208 -6.766 -2.601 4.490 1.00 0.00 O ATOM 315 CB GLU A 208 -7.185 -2.565 7.821 1.00 0.00 C ATOM 316 CG GLU A 208 -6.985 -4.094 7.838 1.00 0.00 C ATOM 317 CD GLU A 208 -6.244 -4.615 9.075 1.00 0.00 C ATOM 318 OE1 GLU A 208 -6.046 -3.834 10.033 1.00 0.00 O ATOM 319 OE2 GLU A 208 -5.890 -5.814 9.043 1.00 0.00 O ATOM 0 H GLU A 208 -9.032 -3.720 6.691 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.255 -1.017 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.212 -2.087 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.777 -2.283 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -7.960 -4.578 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.431 -4.387 6.946 1.00 0.00 H new ATOM 326 N MET A 209 -6.201 -0.614 5.413 1.00 0.00 N ATOM 327 CA MET A 209 -5.447 -0.069 4.276 1.00 0.00 C ATOM 328 C MET A 209 -4.182 0.661 4.705 1.00 0.00 C ATOM 329 O MET A 209 -4.072 1.106 5.847 1.00 0.00 O ATOM 330 CB MET A 209 -6.344 0.942 3.543 1.00 0.00 C ATOM 331 CG MET A 209 -7.632 0.279 3.069 1.00 0.00 C ATOM 332 SD MET A 209 -8.507 1.140 1.759 1.00 0.00 S ATOM 333 CE MET A 209 -9.560 -0.258 1.333 1.00 0.00 C ATOM 0 H MET A 209 -6.154 -0.022 6.243 1.00 0.00 H new ATOM 0 HA MET A 209 -5.156 -0.907 3.643 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.581 1.773 4.207 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.809 1.358 2.690 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.396 -0.728 2.724 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.302 0.175 3.922 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.539 0.106 1.020 1.00 0.00 H new ATOM 0 HE2 MET A 209 -9.105 -0.821 0.518 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.674 -0.905 2.202 1.00 0.00 H new ATOM 343 N ILE A 210 -3.254 0.826 3.749 1.00 0.00 N ATOM 344 CA ILE A 210 -2.010 1.549 3.958 1.00 0.00 C ATOM 345 C ILE A 210 -1.746 2.413 2.716 1.00 0.00 C ATOM 346 O ILE A 210 -2.660 3.049 2.194 1.00 0.00 O ATOM 347 CB ILE A 210 -0.892 0.575 4.457 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.311 1.255 5.157 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.382 -0.484 3.461 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.051 1.952 6.475 1.00 0.00 C ATOM 0 H ILE A 210 -3.356 0.454 2.805 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.050 2.268 4.776 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.465 0.029 5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.077 0.505 5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.748 1.987 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.389 -1.090 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.209 -1.125 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.036 0.012 2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.843 2.404 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.794 2.727 6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.459 1.221 7.173 1.00 0.00 H new ATOM 362 N GLY A 211 -0.493 2.468 2.286 1.00 0.00 N ATOM 363 CA GLY A 211 0.036 3.375 1.290 1.00 0.00 C ATOM 364 C GLY A 211 1.464 3.772 1.594 1.00 0.00 C ATOM 365 O GLY A 211 1.800 4.081 2.736 1.00 0.00 O ATOM 0 H GLY A 211 0.222 1.838 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 211 -0.009 2.903 0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.588 4.268 1.244 1.00 0.00 H new ATOM 369 N CYS A 212 2.292 3.745 0.542 1.00 0.00 N ATOM 370 CA CYS A 212 3.709 4.072 0.663 1.00 0.00 C ATOM 371 C CYS A 212 3.854 5.541 1.055 1.00 0.00 C ATOM 372 O CYS A 212 3.390 6.419 0.327 1.00 0.00 O ATOM 373 CB CYS A 212 4.567 3.724 -0.575 1.00 0.00 C ATOM 374 SG CYS A 212 6.282 3.660 0.032 1.00 0.00 S ATOM 0 H CYS A 212 1.999 3.499 -0.403 1.00 0.00 H new ATOM 0 HA CYS A 212 4.111 3.431 1.447 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.266 2.769 -1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.454 4.476 -1.356 1.00 0.00 H new ATOM 0 HG CYS A 212 7.098 3.599 -0.978 1.00 0.00 H new ATOM 379 N ASP A 213 4.543 5.789 2.181 1.00 0.00 N ATOM 380 CA ASP A 213 4.943 7.120 2.641 1.00 0.00 C ATOM 381 C ASP A 213 5.929 7.824 1.679 1.00 0.00 C ATOM 382 O ASP A 213 6.380 8.933 1.961 1.00 0.00 O ATOM 383 CB ASP A 213 5.501 7.008 4.063 1.00 0.00 C ATOM 384 CG ASP A 213 4.415 6.644 5.082 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.029 5.455 5.124 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.015 7.558 5.835 1.00 0.00 O ATOM 0 H ASP A 213 4.843 5.045 2.811 1.00 0.00 H new ATOM 0 HA ASP A 213 4.060 7.759 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.286 6.252 4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.961 7.954 4.347 1.00 0.00 H new ATOM 391 N ASP A 214 6.259 7.174 0.553 1.00 0.00 N ATOM 392 CA ASP A 214 6.933 7.705 -0.619 1.00 0.00 C ATOM 393 C ASP A 214 6.033 8.796 -1.220 1.00 0.00 C ATOM 394 O ASP A 214 4.956 8.463 -1.718 1.00 0.00 O ATOM 395 CB ASP A 214 7.079 6.483 -1.532 1.00 0.00 C ATOM 396 CG ASP A 214 7.447 6.680 -2.992 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.036 7.724 -3.339 1.00 0.00 O ATOM 398 OD2 ASP A 214 7.086 5.728 -3.732 1.00 0.00 O ATOM 0 H ASP A 214 6.039 6.184 0.440 1.00 0.00 H new ATOM 0 HA ASP A 214 7.904 8.166 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 214 7.834 5.833 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.135 5.939 -1.504 1.00 0.00 H new ATOM 403 N PRO A 215 6.434 10.083 -1.185 1.00 0.00 N ATOM 404 CA PRO A 215 5.614 11.195 -1.668 1.00 0.00 C ATOM 405 C PRO A 215 5.625 11.327 -3.200 1.00 0.00 C ATOM 406 O PRO A 215 5.152 12.326 -3.739 1.00 0.00 O ATOM 407 CB PRO A 215 6.198 12.429 -0.974 1.00 0.00 C ATOM 408 CG PRO A 215 7.687 12.099 -0.918 1.00 0.00 C ATOM 409 CD PRO A 215 7.695 10.591 -0.659 1.00 0.00 C ATOM 0 HA PRO A 215 4.560 11.049 -1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 215 6.005 13.342 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 215 5.776 12.574 0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 215 8.192 12.351 -1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 215 8.193 12.648 -0.123 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.543 10.115 -1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.786 10.379 0.406 1.00 0.00 H new ATOM 417 N ASP A 216 6.145 10.302 -3.887 1.00 0.00 N ATOM 418 CA ASP A 216 6.164 10.163 -5.334 1.00 0.00 C ATOM 419 C ASP A 216 5.626 8.777 -5.732 1.00 0.00 C ATOM 420 O ASP A 216 5.715 8.404 -6.902 1.00 0.00 O ATOM 421 CB ASP A 216 7.597 10.431 -5.828 1.00 0.00 C ATOM 422 CG ASP A 216 7.696 10.575 -7.349 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.024 11.483 -7.885 1.00 0.00 O ATOM 424 OD2 ASP A 216 8.456 9.784 -7.952 1.00 0.00 O ATOM 0 H ASP A 216 6.584 9.511 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 216 5.509 10.890 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 216 7.972 11.341 -5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.244 9.616 -5.504 1.00 0.00 H new ATOM 429 N CYS A 217 5.056 8.009 -4.780 1.00 0.00 N ATOM 430 CA CYS A 217 4.459 6.713 -5.062 1.00 0.00 C ATOM 431 C CYS A 217 3.345 6.819 -6.108 1.00 0.00 C ATOM 432 O CYS A 217 2.317 7.458 -5.893 1.00 0.00 O ATOM 433 CB CYS A 217 3.944 6.108 -3.762 1.00 0.00 C ATOM 434 SG CYS A 217 3.547 4.356 -3.996 1.00 0.00 S ATOM 0 H CYS A 217 5.003 8.281 -3.798 1.00 0.00 H new ATOM 0 HA CYS A 217 5.220 6.058 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 217 4.696 6.216 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.057 6.647 -3.428 1.00 0.00 H new ATOM 0 HG CYS A 217 2.584 4.018 -3.191 1.00 0.00 H new ATOM 440 N SER A 218 3.582 6.133 -7.229 1.00 0.00 N ATOM 441 CA SER A 218 2.700 6.034 -8.395 1.00 0.00 C ATOM 442 C SER A 218 1.488 5.114 -8.144 1.00 0.00 C ATOM 443 O SER A 218 0.628 4.969 -9.011 1.00 0.00 O ATOM 444 CB SER A 218 3.542 5.538 -9.579 1.00 0.00 C ATOM 445 OG SER A 218 2.860 5.702 -10.804 1.00 0.00 O ATOM 0 H SER A 218 4.444 5.602 -7.354 1.00 0.00 H new ATOM 0 HA SER A 218 2.280 7.016 -8.611 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.485 6.084 -9.610 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.788 4.486 -9.436 1.00 0.00 H new ATOM 0 HG SER A 218 1.910 5.495 -10.680 1.00 0.00 H new ATOM 451 N ILE A 219 1.422 4.503 -6.953 1.00 0.00 N ATOM 452 CA ILE A 219 0.395 3.558 -6.529 1.00 0.00 C ATOM 453 C ILE A 219 -0.361 4.145 -5.324 1.00 0.00 C ATOM 454 O ILE A 219 -1.580 4.017 -5.242 1.00 0.00 O ATOM 455 CB ILE A 219 1.087 2.214 -6.210 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.877 1.597 -7.389 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.074 1.208 -5.662 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.022 1.154 -8.581 1.00 0.00 C ATOM 0 H ILE A 219 2.121 4.667 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.344 3.380 -7.310 1.00 0.00 H new ATOM 0 HB ILE A 219 1.834 2.446 -5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 219 2.609 2.326 -7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.435 0.736 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.578 0.267 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.373 1.602 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.707 1.037 -6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.666 0.735 -9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.307 0.398 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.484 2.013 -8.982 1.00 0.00 H new ATOM 470 N GLU A 220 0.365 4.845 -4.439 1.00 0.00 N ATOM 471 CA GLU A 220 -0.113 5.691 -3.337 1.00 0.00 C ATOM 472 C GLU A 220 -0.725 4.939 -2.144 1.00 0.00 C ATOM 473 O GLU A 220 -0.589 5.402 -1.014 1.00 0.00 O ATOM 474 CB GLU A 220 -0.974 6.854 -3.895 1.00 0.00 C ATOM 475 CG GLU A 220 -2.457 6.914 -3.480 1.00 0.00 C ATOM 476 CD GLU A 220 -2.693 7.443 -2.060 1.00 0.00 C ATOM 477 OE1 GLU A 220 -2.077 8.475 -1.712 1.00 0.00 O ATOM 478 OE2 GLU A 220 -3.509 6.821 -1.346 1.00 0.00 O ATOM 0 H GLU A 220 1.384 4.832 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 220 0.767 6.133 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 220 -0.505 7.791 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.932 6.809 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.994 7.548 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.885 5.915 -3.559 1.00 0.00 H new ATOM 485 N TRP A 221 -1.339 3.773 -2.376 1.00 0.00 N ATOM 486 CA TRP A 221 -2.070 2.976 -1.399 1.00 0.00 C ATOM 487 C TRP A 221 -1.850 1.491 -1.701 1.00 0.00 C ATOM 488 O TRP A 221 -1.698 1.086 -2.854 1.00 0.00 O ATOM 489 CB TRP A 221 -3.549 3.368 -1.401 1.00 0.00 C ATOM 490 CG TRP A 221 -4.451 2.351 -1.973 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.798 2.247 -3.264 1.00 0.00 C ATOM 492 CD2 TRP A 221 -5.007 1.203 -1.293 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.500 1.076 -3.449 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.651 0.385 -2.261 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.962 0.751 0.040 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -6.250 -0.832 -1.912 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.595 -0.450 0.398 1.00 0.00 C ATOM 498 CH2 TRP A 221 -6.225 -1.246 -0.569 1.00 0.00 C ATOM 0 H TRP A 221 -1.336 3.342 -3.301 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.698 3.169 -0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.858 3.575 -0.376 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.665 4.295 -1.962 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.565 2.966 -4.035 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.862 0.759 -4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.440 1.329 0.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.725 -1.444 -2.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.597 -0.765 1.431 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.691 -2.177 -0.282 1.00 0.00 H new ATOM 509 N PHE A 222 -1.891 0.671 -0.652 1.00 0.00 N ATOM 510 CA PHE A 222 -1.717 -0.774 -0.740 1.00 0.00 C ATOM 511 C PHE A 222 -2.559 -1.395 0.351 1.00 0.00 C ATOM 512 O PHE A 222 -2.745 -0.819 1.421 1.00 0.00 O ATOM 513 CB PHE A 222 -0.255 -1.194 -0.524 1.00 0.00 C ATOM 514 CG PHE A 222 0.705 -0.673 -1.565 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.202 0.636 -1.443 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.078 -1.471 -2.662 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.013 1.179 -2.444 1.00 0.00 C ATOM 518 CE2 PHE A 222 1.930 -0.944 -3.646 1.00 0.00 C ATOM 519 CZ PHE A 222 2.378 0.385 -3.540 1.00 0.00 C ATOM 0 H PHE A 222 -2.049 1.001 0.300 1.00 0.00 H new ATOM 0 HA PHE A 222 -2.014 -1.105 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.069 -0.846 0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -0.201 -2.283 -0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.956 1.225 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.711 -2.483 -2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.355 2.201 -2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.240 -1.556 -4.480 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.010 0.798 -4.312 1.00 0.00 H new ATOM 529 N HIS A 223 -3.061 -2.589 0.070 1.00 0.00 N ATOM 530 CA HIS A 223 -3.835 -3.341 1.033 1.00 0.00 C ATOM 531 C HIS A 223 -2.932 -3.870 2.146 1.00 0.00 C ATOM 532 O HIS A 223 -1.761 -4.172 1.931 1.00 0.00 O ATOM 533 CB HIS A 223 -4.530 -4.449 0.251 1.00 0.00 C ATOM 534 CG HIS A 223 -5.690 -5.134 0.901 1.00 0.00 C ATOM 535 ND1 HIS A 223 -6.062 -6.438 0.590 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.606 -4.582 1.752 1.00 0.00 C ATOM 537 CE1 HIS A 223 -7.168 -6.665 1.318 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.522 -5.570 2.015 1.00 0.00 N ATOM 0 H HIS A 223 -2.941 -3.057 -0.828 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.581 -2.725 1.535 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.875 -4.028 -0.693 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.785 -5.207 0.009 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.609 -3.574 2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.703 -7.603 1.341 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.330 -5.488 2.632 1.00 0.00 H new ATOM 546 N PHE A 224 -3.518 -4.016 3.333 1.00 0.00 N ATOM 547 CA PHE A 224 -2.933 -4.721 4.475 1.00 0.00 C ATOM 548 C PHE A 224 -2.627 -6.205 4.193 1.00 0.00 C ATOM 549 O PHE A 224 -2.018 -6.855 5.037 1.00 0.00 O ATOM 550 CB PHE A 224 -3.861 -4.582 5.692 1.00 0.00 C ATOM 551 CG PHE A 224 -3.378 -3.612 6.752 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.124 -2.267 6.425 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.212 -4.047 8.081 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.738 -1.361 7.428 1.00 0.00 C ATOM 555 CE2 PHE A 224 -2.851 -3.134 9.085 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.623 -1.788 8.758 1.00 0.00 C ATOM 0 H PHE A 224 -4.443 -3.635 3.534 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.970 -4.253 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.844 -4.261 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.988 -5.564 6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.226 -1.931 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.363 -5.087 8.329 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.529 -0.332 7.173 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -2.749 -3.467 10.107 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.359 -1.082 9.531 1.00 0.00 H new ATOM 566 N ALA A 225 -2.992 -6.734 3.015 1.00 0.00 N ATOM 567 CA ALA A 225 -2.604 -8.052 2.543 1.00 0.00 C ATOM 568 C ALA A 225 -1.831 -7.997 1.214 1.00 0.00 C ATOM 569 O ALA A 225 -1.363 -9.036 0.754 1.00 0.00 O ATOM 570 CB ALA A 225 -3.840 -8.955 2.469 1.00 0.00 C ATOM 0 H ALA A 225 -3.583 -6.233 2.352 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.906 -8.484 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.548 -9.944 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.287 -9.042 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.566 -8.523 1.780 1.00 0.00 H new ATOM 576 N CYS A 226 -1.644 -6.802 0.619 1.00 0.00 N ATOM 577 CA CYS A 226 -0.706 -6.595 -0.485 1.00 0.00 C ATOM 578 C CYS A 226 0.760 -6.619 0.002 1.00 0.00 C ATOM 579 O CYS A 226 1.677 -6.556 -0.816 1.00 0.00 O ATOM 580 CB CYS A 226 -1.024 -5.279 -1.181 1.00 0.00 C ATOM 581 SG CYS A 226 -2.414 -5.449 -2.335 1.00 0.00 S ATOM 0 H CYS A 226 -2.143 -5.957 0.896 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.821 -7.415 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.261 -4.521 -0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -0.143 -4.931 -1.721 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.402 -6.640 -2.857 1.00 0.00 H new ATOM 587 N VAL A 227 0.969 -6.713 1.324 1.00 0.00 N ATOM 588 CA VAL A 227 2.261 -6.761 2.010 1.00 0.00 C ATOM 589 C VAL A 227 2.270 -7.784 3.164 1.00 0.00 C ATOM 590 O VAL A 227 3.328 -8.103 3.705 1.00 0.00 O ATOM 591 CB VAL A 227 2.637 -5.331 2.458 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.516 -4.681 3.290 1.00 0.00 C ATOM 593 CG2 VAL A 227 3.980 -5.255 3.204 1.00 0.00 C ATOM 0 H VAL A 227 0.189 -6.760 1.980 1.00 0.00 H new ATOM 0 HA VAL A 227 3.027 -7.118 1.321 1.00 0.00 H new ATOM 0 HB VAL A 227 2.760 -4.762 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 227 1.818 -3.677 3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.606 -4.625 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.329 -5.281 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.180 -4.222 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 227 3.935 -5.876 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 227 4.778 -5.613 2.554 1.00 0.00 H new ATOM 603 N GLY A 228 1.100 -8.330 3.512 1.00 0.00 N ATOM 604 CA GLY A 228 0.927 -9.283 4.603 1.00 0.00 C ATOM 605 C GLY A 228 1.063 -8.638 5.987 1.00 0.00 C ATOM 606 O GLY A 228 1.636 -9.256 6.883 1.00 0.00 O ATOM 0 H GLY A 228 0.229 -8.113 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.055 -9.748 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.666 -10.078 4.504 1.00 0.00 H new ATOM 610 N LEU A 229 0.572 -7.399 6.152 1.00 0.00 N ATOM 611 CA LEU A 229 0.544 -6.703 7.443 1.00 0.00 C ATOM 612 C LEU A 229 -0.446 -7.395 8.388 1.00 0.00 C ATOM 613 O LEU A 229 -1.658 -7.326 8.186 1.00 0.00 O ATOM 614 CB LEU A 229 0.155 -5.221 7.274 1.00 0.00 C ATOM 615 CG LEU A 229 1.306 -4.287 6.851 1.00 0.00 C ATOM 616 CD1 LEU A 229 0.718 -2.927 6.444 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.349 -4.083 7.958 1.00 0.00 C ATOM 0 H LEU A 229 0.181 -6.851 5.386 1.00 0.00 H new ATOM 0 HA LEU A 229 1.546 -6.744 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.640 -5.152 6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.258 -4.860 8.216 1.00 0.00 H new ATOM 0 HG LEU A 229 1.821 -4.759 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.524 -2.258 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.029 -3.063 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.184 -2.494 7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.134 -3.416 7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.870 -3.643 8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.785 -5.045 8.229 1.00 0.00 H new ATOM 746 N TRP A 237 6.039 3.710 6.384 1.00 0.00 N ATOM 747 CA TRP A 237 5.926 2.390 5.771 1.00 0.00 C ATOM 748 C TRP A 237 6.351 2.478 4.295 1.00 0.00 C ATOM 749 O TRP A 237 6.279 3.545 3.681 1.00 0.00 O ATOM 750 CB TRP A 237 4.495 1.863 5.946 1.00 0.00 C ATOM 751 CG TRP A 237 4.171 0.553 5.281 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.272 -0.680 5.825 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.721 0.329 3.912 1.00 0.00 C ATOM 754 NE1 TRP A 237 3.918 -1.638 4.895 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.576 -1.069 3.685 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.470 1.183 2.824 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.187 -1.581 2.435 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.118 0.681 1.558 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.947 -0.700 1.373 1.00 0.00 C ATOM 0 HA TRP A 237 6.592 1.679 6.260 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.298 1.761 7.013 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.806 2.617 5.566 1.00 0.00 H new ATOM 0 HD1 TRP A 237 4.584 -0.886 6.838 1.00 0.00 H new ATOM 0 HE1 TRP A 237 3.910 -2.641 5.080 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.549 2.251 2.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.074 -2.646 2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.979 1.358 0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.631 -1.082 0.414 1.00 0.00 H new ATOM 770 N PHE A 238 6.768 1.341 3.721 1.00 0.00 N ATOM 771 CA PHE A 238 7.276 1.257 2.359 1.00 0.00 C ATOM 772 C PHE A 238 6.626 0.083 1.621 1.00 0.00 C ATOM 773 O PHE A 238 6.547 -1.020 2.164 1.00 0.00 O ATOM 774 CB PHE A 238 8.801 1.082 2.385 1.00 0.00 C ATOM 775 CG PHE A 238 9.573 2.249 2.974 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.642 3.473 2.281 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.242 2.108 4.205 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.394 4.540 2.803 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.992 3.176 4.728 1.00 0.00 C ATOM 780 CZ PHE A 238 11.077 4.389 4.023 1.00 0.00 C ATOM 0 H PHE A 238 6.759 0.443 4.204 1.00 0.00 H new ATOM 0 HA PHE A 238 7.030 2.179 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.038 0.184 2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.149 0.913 1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.116 3.592 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 238 10.179 1.177 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.447 5.476 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.503 3.064 5.673 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.666 5.204 4.418 1.00 0.00 H new ATOM 790 N CYS A 239 6.208 0.308 0.365 1.00 0.00 N ATOM 791 CA CYS A 239 5.754 -0.739 -0.537 1.00 0.00 C ATOM 792 C CYS A 239 6.895 -1.707 -0.902 1.00 0.00 C ATOM 793 O CYS A 239 8.063 -1.359 -0.709 1.00 0.00 O ATOM 794 CB CYS A 239 5.091 -0.052 -1.741 1.00 0.00 C ATOM 795 SG CYS A 239 6.205 0.976 -2.737 1.00 0.00 S ATOM 0 H CYS A 239 6.179 1.240 -0.049 1.00 0.00 H new ATOM 0 HA CYS A 239 5.013 -1.381 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.654 -0.817 -2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.271 0.569 -1.381 1.00 0.00 H new ATOM 0 HG CYS A 239 6.468 2.076 -2.097 1.00 0.00 H new ATOM 801 N PRO A 240 6.593 -2.912 -1.436 1.00 0.00 N ATOM 802 CA PRO A 240 7.590 -3.917 -1.829 1.00 0.00 C ATOM 803 C PRO A 240 8.378 -3.539 -3.106 1.00 0.00 C ATOM 804 O PRO A 240 8.833 -4.413 -3.843 1.00 0.00 O ATOM 805 CB PRO A 240 6.800 -5.230 -1.953 1.00 0.00 C ATOM 806 CG PRO A 240 5.411 -4.765 -2.374 1.00 0.00 C ATOM 807 CD PRO A 240 5.250 -3.466 -1.591 1.00 0.00 C ATOM 0 HA PRO A 240 8.384 -4.003 -1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.242 -5.897 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.773 -5.774 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.346 -4.602 -3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.643 -5.494 -2.115 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.601 -2.770 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.791 -3.652 -0.620 1.00 0.00 H new ATOM 815 N ARG A 241 8.544 -2.233 -3.360 1.00 0.00 N ATOM 816 CA ARG A 241 9.294 -1.648 -4.468 1.00 0.00 C ATOM 817 C ARG A 241 10.185 -0.514 -3.938 1.00 0.00 C ATOM 818 O ARG A 241 11.312 -0.348 -4.399 1.00 0.00 O ATOM 819 CB ARG A 241 8.328 -1.126 -5.549 1.00 0.00 C ATOM 820 CG ARG A 241 7.297 -2.167 -6.021 1.00 0.00 C ATOM 821 CD ARG A 241 6.418 -1.603 -7.144 1.00 0.00 C ATOM 822 NE ARG A 241 5.282 -2.491 -7.446 1.00 0.00 N ATOM 823 CZ ARG A 241 5.319 -3.607 -8.189 1.00 0.00 C ATOM 824 NH1 ARG A 241 6.447 -4.042 -8.757 1.00 0.00 N ATOM 825 NH2 ARG A 241 4.198 -4.307 -8.370 1.00 0.00 N ATOM 0 H ARG A 241 8.132 -1.519 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 241 9.927 -2.411 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.799 -0.256 -5.160 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.908 -0.788 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 241 7.813 -3.061 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.671 -2.470 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 241 6.045 -0.620 -6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 241 7.020 -1.464 -8.042 1.00 0.00 H new ATOM 0 HE ARG A 241 4.378 -2.231 -7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 241 7.315 -3.521 -8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.440 -4.895 -9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 241 3.326 -3.992 -7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 241 4.213 -5.157 -8.933 1.00 0.00 H new ATOM 839 N CYS A 242 9.698 0.218 -2.928 1.00 0.00 N ATOM 840 CA CYS A 242 10.426 1.182 -2.132 1.00 0.00 C ATOM 841 C CYS A 242 11.368 0.507 -1.127 1.00 0.00 C ATOM 842 O CYS A 242 12.444 1.038 -0.851 1.00 0.00 O ATOM 843 CB CYS A 242 9.360 1.976 -1.388 1.00 0.00 C ATOM 844 SG CYS A 242 8.911 3.434 -2.356 1.00 0.00 S ATOM 0 H CYS A 242 8.724 0.139 -2.637 1.00 0.00 H new ATOM 0 HA CYS A 242 11.055 1.807 -2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.481 1.354 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.732 2.277 -0.409 1.00 0.00 H new ATOM 0 HG CYS A 242 7.839 3.183 -3.047 1.00 0.00 H new