USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 617 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 Single : A 212 SER OG : rot 37:sc= 0.0907 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 THR OG1 : rot -61:sc= 0.173 USER MOD Single : A 232 CYS SG : rot 180:sc= 0 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 SER OG : rot -41:sc= 0.977 USER MOD Single : B 212 SER OG : rot 39:sc= 0.054 USER MOD Single : B 217 TYR OH : rot 180:sc= 0 USER MOD Single : B 219 THR OG1 : rot -69:sc= 0.162 USER MOD Single : B 232 CYS SG : rot 84:sc= 1.28 USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 234 SER OG : rot -38:sc= 0.799 USER MOD Single : C 212 SER OG : rot 180:sc= 0 USER MOD Single : C 217 TYR OH : rot 180:sc= 0 USER MOD Single : C 219 THR OG1 : rot -69:sc= -0.0391 USER MOD Single : C 232 CYS SG : rot 78:sc= 0.274 USER MOD Single : C 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 212 85.368 21.054 0.181 1.00 0.00 N ATOM 72 CA SER A 212 84.585 19.905 0.813 1.00 0.00 C ATOM 73 C SER A 212 84.360 18.745 -0.198 1.00 0.00 C ATOM 74 O SER A 212 84.094 17.624 0.190 1.00 0.00 O ATOM 75 CB SER A 212 83.230 20.470 1.351 1.00 0.00 C ATOM 76 OG SER A 212 83.508 21.447 2.347 1.00 0.00 O ATOM 0 HA SER A 212 85.157 19.483 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 212 82.655 20.912 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 212 82.624 19.666 1.769 1.00 0.00 H new ATOM 0 HG SER A 212 84.310 21.951 2.096 1.00 0.00 H new ATOM 82 N GLY A 213 84.474 19.074 -1.497 1.00 0.00 N ATOM 83 CA GLY A 213 84.312 18.089 -2.630 1.00 0.00 C ATOM 84 C GLY A 213 85.536 17.161 -2.743 1.00 0.00 C ATOM 85 O GLY A 213 85.428 16.059 -3.258 1.00 0.00 O ATOM 0 H GLY A 213 84.680 20.022 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 213 83.414 17.492 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 213 84.174 18.628 -3.567 1.00 0.00 H new ATOM 89 N ILE A 214 86.728 17.657 -2.287 1.00 0.00 N ATOM 90 CA ILE A 214 88.055 16.879 -2.375 1.00 0.00 C ATOM 91 C ILE A 214 87.998 15.542 -1.564 1.00 0.00 C ATOM 92 O ILE A 214 88.371 14.486 -2.060 1.00 0.00 O ATOM 93 CB ILE A 214 89.295 17.850 -1.933 1.00 0.00 C ATOM 94 CG1 ILE A 214 90.639 17.579 -2.801 1.00 0.00 C ATOM 95 CG2 ILE A 214 89.633 17.797 -0.359 1.00 0.00 C ATOM 96 CD1 ILE A 214 91.175 16.127 -2.688 1.00 0.00 C ATOM 0 H ILE A 214 86.821 18.577 -1.857 1.00 0.00 H new ATOM 0 HA ILE A 214 88.226 16.580 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 214 88.940 18.857 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 214 90.435 17.801 -3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 214 91.416 18.270 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 214 90.466 18.467 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 214 88.758 18.109 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 214 89.904 16.779 -0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 214 92.074 16.023 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 214 91.412 15.907 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 214 90.415 15.430 -3.042 1.00 0.00 H new ATOM 108 N ILE A 215 87.538 15.615 -0.283 1.00 0.00 N ATOM 109 CA ILE A 215 87.451 14.393 0.639 1.00 0.00 C ATOM 110 C ILE A 215 86.379 13.391 0.121 1.00 0.00 C ATOM 111 O ILE A 215 86.548 12.194 0.262 1.00 0.00 O ATOM 112 CB ILE A 215 87.229 14.852 2.160 1.00 0.00 C ATOM 113 CG1 ILE A 215 87.206 13.598 3.192 1.00 0.00 C ATOM 114 CG2 ILE A 215 85.900 15.716 2.307 1.00 0.00 C ATOM 115 CD1 ILE A 215 88.511 12.740 3.196 1.00 0.00 C ATOM 0 H ILE A 215 87.221 16.482 0.150 1.00 0.00 H new ATOM 0 HA ILE A 215 88.398 13.853 0.622 1.00 0.00 H new ATOM 0 HB ILE A 215 88.085 15.473 2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 215 87.031 13.976 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 215 86.363 12.954 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 215 85.773 16.014 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 215 85.973 16.605 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 215 85.042 15.121 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 215 88.409 11.925 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 215 88.679 12.329 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 215 89.357 13.367 3.477 1.00 0.00 H new ATOM 127 N ILE A 216 85.270 13.894 -0.490 1.00 0.00 N ATOM 128 CA ILE A 216 84.168 12.996 -1.074 1.00 0.00 C ATOM 129 C ILE A 216 84.731 12.254 -2.338 1.00 0.00 C ATOM 130 O ILE A 216 84.386 11.110 -2.599 1.00 0.00 O ATOM 131 CB ILE A 216 82.860 13.876 -1.431 1.00 0.00 C ATOM 132 CG1 ILE A 216 82.324 14.633 -0.103 1.00 0.00 C ATOM 133 CG2 ILE A 216 81.693 12.963 -2.068 1.00 0.00 C ATOM 134 CD1 ILE A 216 81.163 15.637 -0.376 1.00 0.00 C ATOM 0 H ILE A 216 85.094 14.892 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 216 83.865 12.250 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 216 83.143 14.619 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 216 81.986 13.888 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 216 83.154 15.168 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 216 80.828 13.585 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 216 82.056 12.495 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 216 81.406 12.190 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 216 80.858 16.104 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 216 81.502 16.405 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 216 80.316 15.105 -0.809 1.00 0.00 H new ATOM 146 N TYR A 217 85.544 12.986 -3.136 1.00 0.00 N ATOM 147 CA TYR A 217 86.128 12.480 -4.451 1.00 0.00 C ATOM 148 C TYR A 217 87.101 11.267 -4.304 1.00 0.00 C ATOM 149 O TYR A 217 87.003 10.316 -5.074 1.00 0.00 O ATOM 150 CB TYR A 217 86.839 13.700 -5.172 1.00 0.00 C ATOM 151 CG TYR A 217 87.402 13.318 -6.611 1.00 0.00 C ATOM 152 CD1 TYR A 217 88.812 13.219 -6.873 1.00 0.00 C ATOM 153 CD2 TYR A 217 86.496 13.054 -7.686 1.00 0.00 C ATOM 154 CE1 TYR A 217 89.274 12.873 -8.163 1.00 0.00 C ATOM 155 CE2 TYR A 217 86.989 12.711 -8.968 1.00 0.00 C ATOM 156 CZ TYR A 217 88.366 12.624 -9.196 1.00 0.00 C ATOM 157 OH TYR A 217 88.834 12.288 -10.454 1.00 0.00 O ATOM 0 H TYR A 217 85.826 13.940 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 217 85.305 12.092 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 217 86.130 14.522 -5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 217 87.658 14.058 -4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 217 89.521 13.410 -6.081 1.00 0.00 H new ATOM 0 HD2 TYR A 217 85.431 13.117 -7.519 1.00 0.00 H new ATOM 0 HE1 TYR A 217 90.335 12.801 -8.352 1.00 0.00 H new ATOM 0 HE2 TYR A 217 86.298 12.515 -9.774 1.00 0.00 H new ATOM 0 HH TYR A 217 88.075 12.146 -11.058 1.00 0.00 H new ATOM 167 N VAL A 218 88.087 11.332 -3.369 1.00 0.00 N ATOM 168 CA VAL A 218 89.137 10.219 -3.217 1.00 0.00 C ATOM 169 C VAL A 218 88.498 8.819 -2.921 1.00 0.00 C ATOM 170 O VAL A 218 89.015 7.799 -3.366 1.00 0.00 O ATOM 171 CB VAL A 218 90.231 10.634 -2.113 1.00 0.00 C ATOM 172 CG1 VAL A 218 91.019 11.961 -2.574 1.00 0.00 C ATOM 173 CG2 VAL A 218 89.539 10.875 -0.693 1.00 0.00 C ATOM 0 H VAL A 218 88.199 12.107 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 218 89.644 10.110 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 218 90.944 9.815 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 218 91.755 12.229 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 218 91.525 11.773 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 218 90.311 12.780 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 218 90.297 11.155 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 218 88.804 11.675 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 218 89.043 9.960 -0.370 1.00 0.00 H new ATOM 183 N THR A 219 87.392 8.791 -2.132 1.00 0.00 N ATOM 184 CA THR A 219 86.695 7.489 -1.736 1.00 0.00 C ATOM 185 C THR A 219 86.039 6.774 -2.947 1.00 0.00 C ATOM 186 O THR A 219 86.236 5.580 -3.137 1.00 0.00 O ATOM 187 CB THR A 219 85.571 7.794 -0.649 1.00 0.00 C ATOM 188 OG1 THR A 219 84.517 8.533 -1.266 1.00 0.00 O ATOM 189 CG2 THR A 219 86.116 8.655 0.546 1.00 0.00 C ATOM 0 H THR A 219 86.952 9.629 -1.751 1.00 0.00 H new ATOM 0 HA THR A 219 87.460 6.827 -1.330 1.00 0.00 H new ATOM 0 HB THR A 219 85.227 6.835 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 219 84.870 9.380 -1.611 1.00 0.00 H new ATOM 0 HG21 THR A 219 85.313 8.836 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 219 86.927 8.120 1.040 1.00 0.00 H new ATOM 0 HG23 THR A 219 86.487 9.608 0.168 1.00 0.00 H new ATOM 197 N VAL A 220 85.244 7.525 -3.761 1.00 0.00 N ATOM 198 CA VAL A 220 84.533 6.935 -4.980 1.00 0.00 C ATOM 199 C VAL A 220 85.558 6.635 -6.098 1.00 0.00 C ATOM 200 O VAL A 220 85.391 5.692 -6.862 1.00 0.00 O ATOM 201 CB VAL A 220 83.352 7.912 -5.449 1.00 0.00 C ATOM 202 CG1 VAL A 220 83.909 9.355 -5.825 1.00 0.00 C ATOM 203 CG2 VAL A 220 82.509 7.287 -6.666 1.00 0.00 C ATOM 0 H VAL A 220 85.069 8.520 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 220 84.069 5.984 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 220 82.674 8.023 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 220 83.083 9.993 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 220 84.397 9.795 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 220 84.629 9.266 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 220 81.718 7.980 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 220 83.169 7.116 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 220 82.067 6.341 -6.354 1.00 0.00 H new ATOM 213 N ALA A 221 86.625 7.480 -6.182 1.00 0.00 N ATOM 214 CA ALA A 221 87.716 7.332 -7.234 1.00 0.00 C ATOM 215 C ALA A 221 88.491 5.991 -7.058 1.00 0.00 C ATOM 216 O ALA A 221 88.954 5.406 -8.027 1.00 0.00 O ATOM 217 CB ALA A 221 88.692 8.563 -7.162 1.00 0.00 C ATOM 0 H ALA A 221 86.767 8.267 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 221 87.250 7.309 -8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 221 89.471 8.454 -7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 221 88.134 9.481 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 221 89.148 8.609 -6.173 1.00 0.00 H new ATOM 223 N ALA A 222 88.661 5.549 -5.786 1.00 0.00 N ATOM 224 CA ALA A 222 89.422 4.274 -5.452 1.00 0.00 C ATOM 225 C ALA A 222 88.679 3.002 -5.957 1.00 0.00 C ATOM 226 O ALA A 222 89.310 2.036 -6.372 1.00 0.00 O ATOM 227 CB ALA A 222 89.633 4.222 -3.891 1.00 0.00 C ATOM 0 H ALA A 222 88.293 6.036 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 222 90.385 4.288 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 222 90.177 3.315 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 222 90.204 5.094 -3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 222 88.664 4.221 -3.393 1.00 0.00 H new ATOM 233 N VAL A 223 87.327 3.015 -5.863 1.00 0.00 N ATOM 234 CA VAL A 223 86.449 1.834 -6.271 1.00 0.00 C ATOM 235 C VAL A 223 86.447 1.639 -7.816 1.00 0.00 C ATOM 236 O VAL A 223 86.543 0.511 -8.287 1.00 0.00 O ATOM 237 CB VAL A 223 84.968 2.048 -5.687 1.00 0.00 C ATOM 238 CG1 VAL A 223 83.996 0.811 -6.028 1.00 0.00 C ATOM 239 CG2 VAL A 223 85.025 2.272 -4.096 1.00 0.00 C ATOM 0 H VAL A 223 86.800 3.815 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 223 86.858 0.917 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 223 84.557 2.935 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 223 83.006 1.001 -5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 223 83.920 0.695 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 223 84.403 -0.102 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 223 84.015 2.416 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 223 85.472 1.399 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 223 85.626 3.154 -3.874 1.00 0.00 H new ATOM 249 N VAL A 224 86.296 2.741 -8.612 1.00 0.00 N ATOM 250 CA VAL A 224 86.256 2.623 -10.139 1.00 0.00 C ATOM 251 C VAL A 224 87.639 2.183 -10.690 1.00 0.00 C ATOM 252 O VAL A 224 87.722 1.526 -11.711 1.00 0.00 O ATOM 253 CB VAL A 224 85.715 3.977 -10.827 1.00 0.00 C ATOM 254 CG1 VAL A 224 84.322 4.409 -10.157 1.00 0.00 C ATOM 255 CG2 VAL A 224 86.770 5.174 -10.718 1.00 0.00 C ATOM 0 H VAL A 224 86.202 3.693 -8.258 1.00 0.00 H new ATOM 0 HA VAL A 224 85.541 1.844 -10.403 1.00 0.00 H new ATOM 0 HB VAL A 224 85.567 3.770 -11.887 1.00 0.00 H new ATOM 0 HG11 VAL A 224 83.961 5.325 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 224 83.588 3.615 -10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 224 84.469 4.581 -9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 224 86.361 6.064 -11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 224 86.973 5.386 -9.668 1.00 0.00 H new ATOM 0 HG23 VAL A 224 87.697 4.889 -11.216 1.00 0.00 H new ATOM 265 N LEU A 225 88.725 2.622 -9.996 1.00 0.00 N ATOM 266 CA LEU A 225 90.159 2.342 -10.427 1.00 0.00 C ATOM 267 C LEU A 225 90.502 0.817 -10.455 1.00 0.00 C ATOM 268 O LEU A 225 91.112 0.343 -11.411 1.00 0.00 O ATOM 269 CB LEU A 225 91.116 3.127 -9.427 1.00 0.00 C ATOM 270 CG LEU A 225 92.702 3.018 -9.758 1.00 0.00 C ATOM 271 CD1 LEU A 225 93.066 3.617 -11.181 1.00 0.00 C ATOM 272 CD2 LEU A 225 93.561 3.731 -8.613 1.00 0.00 C ATOM 0 H LEU A 225 88.655 3.170 -9.138 1.00 0.00 H new ATOM 0 HA LEU A 225 90.297 2.684 -11.453 1.00 0.00 H new ATOM 0 HB2 LEU A 225 90.832 4.179 -9.429 1.00 0.00 H new ATOM 0 HB3 LEU A 225 90.945 2.753 -8.418 1.00 0.00 H new ATOM 0 HG LEU A 225 92.952 1.957 -9.785 1.00 0.00 H new ATOM 0 HD11 LEU A 225 94.138 3.520 -11.353 1.00 0.00 H new ATOM 0 HD12 LEU A 225 92.523 3.073 -11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 225 92.787 4.670 -11.214 1.00 0.00 H new ATOM 0 HD21 LEU A 225 94.622 3.649 -8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 225 93.283 4.783 -8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 225 93.364 3.247 -7.656 1.00 0.00 H new ATOM 284 N ILE A 226 90.153 0.071 -9.370 1.00 0.00 N ATOM 285 CA ILE A 226 90.494 -1.419 -9.261 1.00 0.00 C ATOM 286 C ILE A 226 89.654 -2.319 -10.238 1.00 0.00 C ATOM 287 O ILE A 226 90.211 -3.208 -10.853 1.00 0.00 O ATOM 288 CB ILE A 226 90.405 -1.886 -7.727 1.00 0.00 C ATOM 289 CG1 ILE A 226 90.913 -3.418 -7.538 1.00 0.00 C ATOM 290 CG2 ILE A 226 88.937 -1.692 -7.160 1.00 0.00 C ATOM 291 CD1 ILE A 226 91.046 -3.843 -6.044 1.00 0.00 C ATOM 0 H ILE A 226 89.648 0.444 -8.566 1.00 0.00 H new ATOM 0 HA ILE A 226 91.523 -1.557 -9.593 1.00 0.00 H new ATOM 0 HB ILE A 226 91.075 -1.250 -7.149 1.00 0.00 H new ATOM 0 HG12 ILE A 226 90.215 -4.089 -8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 226 91.878 -3.537 -8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 226 88.903 -2.015 -6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 226 88.659 -0.640 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 226 88.238 -2.287 -7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 226 91.389 -4.876 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 226 91.765 -3.195 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 226 90.077 -3.756 -5.553 1.00 0.00 H new ATOM 303 N VAL A 227 88.309 -2.104 -10.356 1.00 0.00 N ATOM 304 CA VAL A 227 87.403 -2.953 -11.282 1.00 0.00 C ATOM 305 C VAL A 227 87.728 -2.738 -12.795 1.00 0.00 C ATOM 306 O VAL A 227 87.557 -3.641 -13.605 1.00 0.00 O ATOM 307 CB VAL A 227 85.842 -2.677 -10.980 1.00 0.00 C ATOM 308 CG1 VAL A 227 85.468 -3.071 -9.472 1.00 0.00 C ATOM 309 CG2 VAL A 227 85.481 -1.145 -11.252 1.00 0.00 C ATOM 0 H VAL A 227 87.810 -1.375 -9.846 1.00 0.00 H new ATOM 0 HA VAL A 227 87.616 -3.998 -11.058 1.00 0.00 H new ATOM 0 HB VAL A 227 85.256 -3.303 -11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 227 84.410 -2.875 -9.296 1.00 0.00 H new ATOM 0 HG12 VAL A 227 85.672 -4.130 -9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 227 86.067 -2.477 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 227 84.424 -0.978 -11.043 1.00 0.00 H new ATOM 0 HG22 VAL A 227 86.084 -0.509 -10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 227 85.688 -0.902 -12.294 1.00 0.00 H new ATOM 319 N ALA A 228 88.073 -1.480 -13.157 1.00 0.00 N ATOM 320 CA ALA A 228 88.291 -1.048 -14.604 1.00 0.00 C ATOM 321 C ALA A 228 89.395 -1.855 -15.355 1.00 0.00 C ATOM 322 O ALA A 228 89.317 -1.988 -16.573 1.00 0.00 O ATOM 323 CB ALA A 228 88.628 0.493 -14.627 1.00 0.00 C ATOM 0 H ALA A 228 88.212 -0.727 -12.483 1.00 0.00 H new ATOM 0 HA ALA A 228 87.366 -1.258 -15.142 1.00 0.00 H new ATOM 0 HB1 ALA A 228 88.786 0.815 -15.656 1.00 0.00 H new ATOM 0 HB2 ALA A 228 87.799 1.053 -14.195 1.00 0.00 H new ATOM 0 HB3 ALA A 228 89.532 0.676 -14.046 1.00 0.00 H new ATOM 329 N VAL A 229 90.444 -2.340 -14.646 1.00 0.00 N ATOM 330 CA VAL A 229 91.591 -3.104 -15.322 1.00 0.00 C ATOM 331 C VAL A 229 91.129 -4.507 -15.820 1.00 0.00 C ATOM 332 O VAL A 229 91.578 -4.967 -16.860 1.00 0.00 O ATOM 333 CB VAL A 229 92.890 -3.193 -14.364 1.00 0.00 C ATOM 334 CG1 VAL A 229 93.219 -1.746 -13.758 1.00 0.00 C ATOM 335 CG2 VAL A 229 92.716 -4.266 -13.182 1.00 0.00 C ATOM 0 H VAL A 229 90.545 -2.235 -13.636 1.00 0.00 H new ATOM 0 HA VAL A 229 91.888 -2.538 -16.205 1.00 0.00 H new ATOM 0 HB VAL A 229 93.723 -3.534 -14.979 1.00 0.00 H new ATOM 0 HG11 VAL A 229 94.095 -1.812 -13.113 1.00 0.00 H new ATOM 0 HG12 VAL A 229 93.419 -1.048 -14.571 1.00 0.00 H new ATOM 0 HG13 VAL A 229 92.367 -1.393 -13.177 1.00 0.00 H new ATOM 0 HG21 VAL A 229 93.618 -4.283 -12.571 1.00 0.00 H new ATOM 0 HG22 VAL A 229 91.863 -3.990 -12.562 1.00 0.00 H new ATOM 0 HG23 VAL A 229 92.549 -5.255 -13.610 1.00 0.00 H new ATOM 345 N PHE A 230 90.257 -5.209 -15.026 1.00 0.00 N ATOM 346 CA PHE A 230 89.789 -6.620 -15.398 1.00 0.00 C ATOM 347 C PHE A 230 88.932 -6.636 -16.707 1.00 0.00 C ATOM 348 O PHE A 230 89.125 -7.506 -17.554 1.00 0.00 O ATOM 349 CB PHE A 230 88.983 -7.236 -14.185 1.00 0.00 C ATOM 350 CG PHE A 230 89.929 -7.390 -12.915 1.00 0.00 C ATOM 351 CD1 PHE A 230 90.669 -8.602 -12.690 1.00 0.00 C ATOM 352 CD2 PHE A 230 90.081 -6.323 -11.977 1.00 0.00 C ATOM 353 CE1 PHE A 230 91.517 -8.726 -11.565 1.00 0.00 C ATOM 354 CE2 PHE A 230 90.933 -6.462 -10.856 1.00 0.00 C ATOM 355 CZ PHE A 230 91.648 -7.661 -10.650 1.00 0.00 C ATOM 0 H PHE A 230 89.867 -4.852 -14.154 1.00 0.00 H new ATOM 0 HA PHE A 230 90.669 -7.230 -15.601 1.00 0.00 H new ATOM 0 HB2 PHE A 230 88.135 -6.596 -13.940 1.00 0.00 H new ATOM 0 HB3 PHE A 230 88.578 -8.208 -14.465 1.00 0.00 H new ATOM 0 HD1 PHE A 230 90.577 -9.423 -13.385 1.00 0.00 H new ATOM 0 HD2 PHE A 230 89.540 -5.400 -12.125 1.00 0.00 H new ATOM 0 HE1 PHE A 230 92.067 -9.642 -11.406 1.00 0.00 H new ATOM 0 HE2 PHE A 230 91.037 -5.647 -10.155 1.00 0.00 H new ATOM 0 HZ PHE A 230 92.295 -7.763 -9.792 1.00 0.00 H new ATOM 365 N VAL A 231 87.992 -5.663 -16.868 1.00 0.00 N ATOM 366 CA VAL A 231 87.107 -5.573 -18.119 1.00 0.00 C ATOM 367 C VAL A 231 87.966 -5.159 -19.352 1.00 0.00 C ATOM 368 O VAL A 231 87.682 -5.550 -20.472 1.00 0.00 O ATOM 369 CB VAL A 231 85.876 -4.572 -17.855 1.00 0.00 C ATOM 370 CG1 VAL A 231 84.930 -5.149 -16.689 1.00 0.00 C ATOM 371 CG2 VAL A 231 86.410 -3.123 -17.460 1.00 0.00 C ATOM 0 H VAL A 231 87.811 -4.934 -16.178 1.00 0.00 H new ATOM 0 HA VAL A 231 86.680 -6.551 -18.341 1.00 0.00 H new ATOM 0 HB VAL A 231 85.294 -4.490 -18.773 1.00 0.00 H new ATOM 0 HG11 VAL A 231 84.101 -4.462 -16.520 1.00 0.00 H new ATOM 0 HG12 VAL A 231 84.540 -6.123 -16.985 1.00 0.00 H new ATOM 0 HG13 VAL A 231 85.507 -5.254 -15.770 1.00 0.00 H new ATOM 0 HG21 VAL A 231 85.564 -2.459 -17.285 1.00 0.00 H new ATOM 0 HG22 VAL A 231 87.011 -3.191 -16.553 1.00 0.00 H new ATOM 0 HG23 VAL A 231 87.021 -2.727 -18.271 1.00 0.00 H new ATOM 381 N CYS A 232 89.027 -4.341 -19.103 1.00 0.00 N ATOM 382 CA CYS A 232 89.967 -3.832 -20.193 1.00 0.00 C ATOM 383 C CYS A 232 90.784 -5.009 -20.811 1.00 0.00 C ATOM 384 O CYS A 232 90.923 -5.115 -22.024 1.00 0.00 O ATOM 385 CB CYS A 232 90.925 -2.749 -19.568 1.00 0.00 C ATOM 386 SG CYS A 232 91.977 -1.973 -20.840 1.00 0.00 S ATOM 0 H CYS A 232 89.268 -4.011 -18.169 1.00 0.00 H new ATOM 0 HA CYS A 232 89.386 -3.381 -20.998 1.00 0.00 H new ATOM 0 HB2 CYS A 232 90.333 -1.983 -19.068 1.00 0.00 H new ATOM 0 HB3 CYS A 232 91.554 -3.213 -18.808 1.00 0.00 H new ATOM 0 HG CYS A 232 92.748 -1.087 -20.284 1.00 0.00 H new ATOM 392 N LYS A 233 91.335 -5.874 -19.922 1.00 0.00 N ATOM 393 CA LYS A 233 92.179 -7.078 -20.323 1.00 0.00 C ATOM 394 C LYS A 233 91.308 -8.161 -21.022 1.00 0.00 C ATOM 395 O LYS A 233 91.772 -8.847 -21.922 1.00 0.00 O ATOM 396 CB LYS A 233 92.898 -7.658 -19.022 1.00 0.00 C ATOM 397 CG LYS A 233 94.050 -6.681 -18.475 1.00 0.00 C ATOM 398 CD LYS A 233 94.718 -7.241 -17.132 1.00 0.00 C ATOM 399 CE LYS A 233 95.852 -6.290 -16.586 1.00 0.00 C ATOM 400 NZ LYS A 233 96.414 -6.875 -15.335 1.00 0.00 N ATOM 0 H LYS A 233 91.221 -5.777 -18.913 1.00 0.00 H new ATOM 0 HA LYS A 233 92.937 -6.770 -21.043 1.00 0.00 H new ATOM 0 HB2 LYS A 233 92.156 -7.815 -18.239 1.00 0.00 H new ATOM 0 HB3 LYS A 233 93.330 -8.632 -19.252 1.00 0.00 H new ATOM 0 HG2 LYS A 233 94.817 -6.561 -19.240 1.00 0.00 H new ATOM 0 HG3 LYS A 233 93.630 -5.693 -18.287 1.00 0.00 H new ATOM 0 HD2 LYS A 233 93.949 -7.361 -16.369 1.00 0.00 H new ATOM 0 HD3 LYS A 233 95.136 -8.230 -17.322 1.00 0.00 H new ATOM 0 HE2 LYS A 233 96.637 -6.173 -17.333 1.00 0.00 H new ATOM 0 HE3 LYS A 233 95.448 -5.297 -16.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 97.163 -6.254 -14.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 95.660 -6.965 -14.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 96.812 -7.814 -15.539 1.00 0.00 H new ATOM 414 N SER A 234 90.040 -8.312 -20.576 1.00 0.00 N ATOM 415 CA SER A 234 89.078 -9.349 -21.153 1.00 0.00 C ATOM 416 C SER A 234 88.750 -9.061 -22.646 1.00 0.00 C ATOM 417 O SER A 234 88.555 -9.981 -23.428 1.00 0.00 O ATOM 418 CB SER A 234 87.763 -9.361 -20.298 1.00 0.00 C ATOM 419 OG SER A 234 87.067 -8.131 -20.474 1.00 0.00 O ATOM 0 H SER A 234 89.638 -7.748 -19.827 1.00 0.00 H new ATOM 0 HA SER A 234 89.557 -10.327 -21.111 1.00 0.00 H new ATOM 0 HB2 SER A 234 87.129 -10.195 -20.599 1.00 0.00 H new ATOM 0 HB3 SER A 234 88.003 -9.507 -19.245 1.00 0.00 H new ATOM 0 HG SER A 234 87.709 -7.391 -20.487 1.00 0.00 H new ATOM 425 N LEU A 235 88.675 -7.754 -23.002 1.00 0.00 N ATOM 426 CA LEU A 235 88.342 -7.269 -24.414 1.00 0.00 C ATOM 427 C LEU A 235 89.630 -7.133 -25.288 1.00 0.00 C ATOM 428 O LEU A 235 89.528 -7.096 -26.508 1.00 0.00 O ATOM 429 CB LEU A 235 87.577 -5.878 -24.294 1.00 0.00 C ATOM 430 CG LEU A 235 86.175 -5.978 -23.480 1.00 0.00 C ATOM 431 CD1 LEU A 235 85.596 -4.528 -23.166 1.00 0.00 C ATOM 432 CD2 LEU A 235 85.085 -6.852 -24.253 1.00 0.00 C ATOM 0 H LEU A 235 88.838 -6.993 -22.343 1.00 0.00 H new ATOM 0 HA LEU A 235 87.705 -8.000 -24.912 1.00 0.00 H new ATOM 0 HB2 LEU A 235 88.226 -5.157 -23.797 1.00 0.00 H new ATOM 0 HB3 LEU A 235 87.380 -5.493 -25.295 1.00 0.00 H new ATOM 0 HG LEU A 235 86.393 -6.485 -22.540 1.00 0.00 H new ATOM 0 HD11 LEU A 235 84.657 -4.621 -22.620 1.00 0.00 H new ATOM 0 HD12 LEU A 235 86.313 -3.973 -22.561 1.00 0.00 H new ATOM 0 HD13 LEU A 235 85.421 -3.996 -24.101 1.00 0.00 H new ATOM 0 HD21 LEU A 235 84.166 -6.888 -23.668 1.00 0.00 H new ATOM 0 HD22 LEU A 235 84.879 -6.401 -25.224 1.00 0.00 H new ATOM 0 HD23 LEU A 235 85.464 -7.864 -24.396 1.00 0.00 H new ATOM 444 N LEU A 236 90.832 -7.032 -24.649 1.00 0.00 N ATOM 445 CA LEU A 236 92.160 -6.867 -25.401 1.00 0.00 C ATOM 446 C LEU A 236 92.660 -8.244 -25.920 1.00 0.00 C ATOM 447 O LEU A 236 93.356 -8.306 -26.923 1.00 0.00 O ATOM 448 CB LEU A 236 93.207 -6.209 -24.413 1.00 0.00 C ATOM 449 CG LEU A 236 94.668 -5.908 -25.054 1.00 0.00 C ATOM 450 CD1 LEU A 236 94.597 -4.904 -26.283 1.00 0.00 C ATOM 451 CD2 LEU A 236 95.661 -5.350 -23.931 1.00 0.00 C ATOM 0 H LEU A 236 90.932 -7.059 -23.634 1.00 0.00 H new ATOM 0 HA LEU A 236 92.028 -6.223 -26.271 1.00 0.00 H new ATOM 0 HB2 LEU A 236 92.792 -5.273 -24.040 1.00 0.00 H new ATOM 0 HB3 LEU A 236 93.334 -6.867 -23.553 1.00 0.00 H new ATOM 0 HG LEU A 236 95.053 -6.853 -25.438 1.00 0.00 H new ATOM 0 HD11 LEU A 236 95.600 -4.737 -26.675 1.00 0.00 H new ATOM 0 HD12 LEU A 236 93.969 -5.330 -27.065 1.00 0.00 H new ATOM 0 HD13 LEU A 236 94.173 -3.955 -25.954 1.00 0.00 H new ATOM 0 HD21 LEU A 236 96.637 -5.152 -24.374 1.00 0.00 H new ATOM 0 HD22 LEU A 236 95.258 -4.427 -23.515 1.00 0.00 H new ATOM 0 HD23 LEU A 236 95.766 -6.090 -23.138 1.00 0.00 H new ATOM 652 N SER B 212 73.715 8.512 5.244 1.00 0.00 N ATOM 653 CA SER B 212 74.693 8.754 6.393 1.00 0.00 C ATOM 654 C SER B 212 75.466 7.462 6.745 1.00 0.00 C ATOM 655 O SER B 212 76.611 7.522 7.124 1.00 0.00 O ATOM 656 CB SER B 212 73.938 9.309 7.643 1.00 0.00 C ATOM 657 OG SER B 212 73.333 10.550 7.299 1.00 0.00 O ATOM 0 HA SER B 212 75.420 9.499 6.071 1.00 0.00 H new ATOM 0 HB2 SER B 212 73.180 8.598 7.973 1.00 0.00 H new ATOM 0 HB3 SER B 212 74.631 9.444 8.473 1.00 0.00 H new ATOM 0 HG SER B 212 72.982 10.501 6.385 1.00 0.00 H new ATOM 663 N GLY B 213 74.785 6.312 6.621 1.00 0.00 N ATOM 664 CA GLY B 213 75.389 4.946 6.901 1.00 0.00 C ATOM 665 C GLY B 213 76.322 4.509 5.760 1.00 0.00 C ATOM 666 O GLY B 213 77.358 3.897 5.978 1.00 0.00 O ATOM 0 H GLY B 213 73.809 6.273 6.328 1.00 0.00 H new ATOM 0 HA2 GLY B 213 75.945 4.976 7.838 1.00 0.00 H new ATOM 0 HA3 GLY B 213 74.593 4.212 7.026 1.00 0.00 H new ATOM 670 N ILE B 214 75.868 4.791 4.516 1.00 0.00 N ATOM 671 CA ILE B 214 76.579 4.394 3.229 1.00 0.00 C ATOM 672 C ILE B 214 77.978 5.075 3.098 1.00 0.00 C ATOM 673 O ILE B 214 78.949 4.406 2.755 1.00 0.00 O ATOM 674 CB ILE B 214 75.597 4.690 1.989 1.00 0.00 C ATOM 675 CG1 ILE B 214 74.192 3.892 2.207 1.00 0.00 C ATOM 676 CG2 ILE B 214 76.269 4.289 0.585 1.00 0.00 C ATOM 677 CD1 ILE B 214 73.145 4.128 1.085 1.00 0.00 C ATOM 0 H ILE B 214 74.999 5.300 4.352 1.00 0.00 H new ATOM 0 HA ILE B 214 76.799 3.326 3.240 1.00 0.00 H new ATOM 0 HB ILE B 214 75.403 5.762 1.953 1.00 0.00 H new ATOM 0 HG12 ILE B 214 74.400 2.824 2.275 1.00 0.00 H new ATOM 0 HG13 ILE B 214 73.760 4.194 3.161 1.00 0.00 H new ATOM 0 HG21 ILE B 214 75.573 4.505 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE B 214 77.183 4.865 0.442 1.00 0.00 H new ATOM 0 HG23 ILE B 214 76.507 3.225 0.586 1.00 0.00 H new ATOM 0 HD11 ILE B 214 72.240 3.562 1.307 1.00 0.00 H new ATOM 0 HD12 ILE B 214 72.904 5.190 1.030 1.00 0.00 H new ATOM 0 HD13 ILE B 214 73.555 3.799 0.130 1.00 0.00 H new ATOM 689 N ILE B 215 78.083 6.409 3.375 1.00 0.00 N ATOM 690 CA ILE B 215 79.424 7.166 3.280 1.00 0.00 C ATOM 691 C ILE B 215 80.499 6.468 4.178 1.00 0.00 C ATOM 692 O ILE B 215 81.673 6.474 3.852 1.00 0.00 O ATOM 693 CB ILE B 215 79.237 8.727 3.602 1.00 0.00 C ATOM 694 CG1 ILE B 215 80.636 9.551 3.560 1.00 0.00 C ATOM 695 CG2 ILE B 215 78.520 8.923 5.004 1.00 0.00 C ATOM 696 CD1 ILE B 215 81.390 9.456 2.200 1.00 0.00 C ATOM 0 H ILE B 215 77.295 6.991 3.660 1.00 0.00 H new ATOM 0 HA ILE B 215 79.791 7.122 2.254 1.00 0.00 H new ATOM 0 HB ILE B 215 78.606 9.137 2.814 1.00 0.00 H new ATOM 0 HG12 ILE B 215 80.434 10.600 3.779 1.00 0.00 H new ATOM 0 HG13 ILE B 215 81.288 9.180 4.351 1.00 0.00 H new ATOM 0 HG21 ILE B 215 78.401 9.987 5.206 1.00 0.00 H new ATOM 0 HG22 ILE B 215 77.540 8.446 4.981 1.00 0.00 H new ATOM 0 HG23 ILE B 215 79.126 8.470 5.789 1.00 0.00 H new ATOM 0 HD11 ILE B 215 82.313 10.033 2.255 1.00 0.00 H new ATOM 0 HD12 ILE B 215 81.626 8.413 1.987 1.00 0.00 H new ATOM 0 HD13 ILE B 215 80.759 9.855 1.406 1.00 0.00 H new ATOM 708 N ILE B 216 80.067 5.875 5.330 1.00 0.00 N ATOM 709 CA ILE B 216 81.014 5.136 6.286 1.00 0.00 C ATOM 710 C ILE B 216 81.511 3.815 5.595 1.00 0.00 C ATOM 711 O ILE B 216 82.676 3.453 5.660 1.00 0.00 O ATOM 712 CB ILE B 216 80.263 4.771 7.669 1.00 0.00 C ATOM 713 CG1 ILE B 216 79.385 6.004 8.224 1.00 0.00 C ATOM 714 CG2 ILE B 216 81.295 4.262 8.785 1.00 0.00 C ATOM 715 CD1 ILE B 216 80.185 7.281 8.570 1.00 0.00 C ATOM 0 H ILE B 216 79.093 5.881 5.634 1.00 0.00 H new ATOM 0 HA ILE B 216 81.861 5.783 6.514 1.00 0.00 H new ATOM 0 HB ILE B 216 79.578 3.953 7.445 1.00 0.00 H new ATOM 0 HG12 ILE B 216 78.632 6.258 7.478 1.00 0.00 H new ATOM 0 HG13 ILE B 216 78.852 5.676 9.116 1.00 0.00 H new ATOM 0 HG21 ILE B 216 80.753 4.026 9.701 1.00 0.00 H new ATOM 0 HG22 ILE B 216 81.808 3.369 8.426 1.00 0.00 H new ATOM 0 HG23 ILE B 216 82.027 5.044 8.988 1.00 0.00 H new ATOM 0 HD11 ILE B 216 79.503 8.050 8.934 1.00 0.00 H new ATOM 0 HD12 ILE B 216 80.920 7.052 9.342 1.00 0.00 H new ATOM 0 HD13 ILE B 216 80.697 7.643 7.678 1.00 0.00 H new ATOM 727 N TYR B 217 80.529 3.089 5.008 1.00 0.00 N ATOM 728 CA TYR B 217 80.725 1.727 4.346 1.00 0.00 C ATOM 729 C TYR B 217 81.592 1.726 3.036 1.00 0.00 C ATOM 730 O TYR B 217 82.357 0.788 2.824 1.00 0.00 O ATOM 731 CB TYR B 217 79.279 1.115 4.044 1.00 0.00 C ATOM 732 CG TYR B 217 78.245 1.117 5.263 1.00 0.00 C ATOM 733 CD1 TYR B 217 78.633 1.253 6.647 1.00 0.00 C ATOM 734 CD2 TYR B 217 76.835 0.942 4.988 1.00 0.00 C ATOM 735 CE1 TYR B 217 77.655 1.222 7.673 1.00 0.00 C ATOM 736 CE2 TYR B 217 75.891 0.922 6.040 1.00 0.00 C ATOM 737 CZ TYR B 217 76.303 1.061 7.365 1.00 0.00 C ATOM 738 OH TYR B 217 75.365 1.034 8.383 1.00 0.00 O ATOM 0 H TYR B 217 79.563 3.413 4.967 1.00 0.00 H new ATOM 0 HA TYR B 217 81.298 1.121 5.048 1.00 0.00 H new ATOM 0 HB2 TYR B 217 78.837 1.672 3.218 1.00 0.00 H new ATOM 0 HB3 TYR B 217 79.406 0.087 3.704 1.00 0.00 H new ATOM 0 HD1 TYR B 217 79.675 1.379 6.902 1.00 0.00 H new ATOM 0 HD2 TYR B 217 76.500 0.825 3.968 1.00 0.00 H new ATOM 0 HE1 TYR B 217 77.959 1.324 8.704 1.00 0.00 H new ATOM 0 HE2 TYR B 217 74.842 0.798 5.816 1.00 0.00 H new ATOM 0 HH TYR B 217 74.470 0.916 8.001 1.00 0.00 H new ATOM 748 N VAL B 218 81.409 2.723 2.118 1.00 0.00 N ATOM 749 CA VAL B 218 82.149 2.729 0.764 1.00 0.00 C ATOM 750 C VAL B 218 83.700 2.703 0.951 1.00 0.00 C ATOM 751 O VAL B 218 84.413 2.055 0.193 1.00 0.00 O ATOM 752 CB VAL B 218 81.656 3.974 -0.121 1.00 0.00 C ATOM 753 CG1 VAL B 218 82.012 5.359 0.579 1.00 0.00 C ATOM 754 CG2 VAL B 218 82.251 3.920 -1.613 1.00 0.00 C ATOM 0 H VAL B 218 80.784 3.517 2.259 1.00 0.00 H new ATOM 0 HA VAL B 218 81.900 1.815 0.225 1.00 0.00 H new ATOM 0 HB VAL B 218 80.571 3.901 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL B 218 81.665 6.182 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL B 218 81.524 5.411 1.552 1.00 0.00 H new ATOM 0 HG13 VAL B 218 83.091 5.433 0.710 1.00 0.00 H new ATOM 0 HG21 VAL B 218 81.893 4.780 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL B 218 83.340 3.941 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL B 218 81.924 3.003 -2.102 1.00 0.00 H new ATOM 764 N THR B 219 84.189 3.435 1.979 1.00 0.00 N ATOM 765 CA THR B 219 85.674 3.533 2.317 1.00 0.00 C ATOM 766 C THR B 219 86.237 2.155 2.741 1.00 0.00 C ATOM 767 O THR B 219 87.286 1.726 2.272 1.00 0.00 O ATOM 768 CB THR B 219 85.879 4.575 3.501 1.00 0.00 C ATOM 769 OG1 THR B 219 85.299 4.040 4.694 1.00 0.00 O ATOM 770 CG2 THR B 219 85.186 5.955 3.203 1.00 0.00 C ATOM 0 H THR B 219 83.594 3.977 2.605 1.00 0.00 H new ATOM 0 HA THR B 219 86.210 3.867 1.428 1.00 0.00 H new ATOM 0 HB THR B 219 86.951 4.742 3.611 1.00 0.00 H new ATOM 0 HG1 THR B 219 84.323 4.026 4.605 1.00 0.00 H new ATOM 0 HG21 THR B 219 85.353 6.634 4.039 1.00 0.00 H new ATOM 0 HG22 THR B 219 85.609 6.386 2.296 1.00 0.00 H new ATOM 0 HG23 THR B 219 84.115 5.803 3.068 1.00 0.00 H new ATOM 778 N VAL B 220 85.499 1.484 3.659 1.00 0.00 N ATOM 779 CA VAL B 220 85.887 0.124 4.209 1.00 0.00 C ATOM 780 C VAL B 220 85.751 -0.937 3.082 1.00 0.00 C ATOM 781 O VAL B 220 86.637 -1.751 2.886 1.00 0.00 O ATOM 782 CB VAL B 220 84.962 -0.217 5.480 1.00 0.00 C ATOM 783 CG1 VAL B 220 85.350 -1.631 6.139 1.00 0.00 C ATOM 784 CG2 VAL B 220 85.084 0.951 6.579 1.00 0.00 C ATOM 0 H VAL B 220 84.628 1.847 4.046 1.00 0.00 H new ATOM 0 HA VAL B 220 86.924 0.122 4.545 1.00 0.00 H new ATOM 0 HB VAL B 220 83.932 -0.285 5.130 1.00 0.00 H new ATOM 0 HG11 VAL B 220 84.702 -1.824 6.994 1.00 0.00 H new ATOM 0 HG12 VAL B 220 85.223 -2.423 5.401 1.00 0.00 H new ATOM 0 HG13 VAL B 220 86.389 -1.606 6.469 1.00 0.00 H new ATOM 0 HG21 VAL B 220 84.454 0.712 7.436 1.00 0.00 H new ATOM 0 HG22 VAL B 220 86.121 1.038 6.904 1.00 0.00 H new ATOM 0 HG23 VAL B 220 84.760 1.896 6.143 1.00 0.00 H new ATOM 794 N ALA B 221 84.614 -0.884 2.340 1.00 0.00 N ATOM 795 CA ALA B 221 84.311 -1.849 1.201 1.00 0.00 C ATOM 796 C ALA B 221 85.477 -1.906 0.167 1.00 0.00 C ATOM 797 O ALA B 221 85.730 -2.944 -0.416 1.00 0.00 O ATOM 798 CB ALA B 221 82.966 -1.419 0.506 1.00 0.00 C ATOM 0 H ALA B 221 83.881 -0.192 2.494 1.00 0.00 H new ATOM 0 HA ALA B 221 84.205 -2.853 1.613 1.00 0.00 H new ATOM 0 HB1 ALA B 221 82.743 -2.106 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA B 221 82.155 -1.446 1.234 1.00 0.00 H new ATOM 0 HB3 ALA B 221 83.067 -0.408 0.112 1.00 0.00 H new ATOM 804 N ALA B 222 86.160 -0.748 -0.055 1.00 0.00 N ATOM 805 CA ALA B 222 87.311 -0.651 -1.050 1.00 0.00 C ATOM 806 C ALA B 222 88.498 -1.577 -0.639 1.00 0.00 C ATOM 807 O ALA B 222 89.109 -2.229 -1.479 1.00 0.00 O ATOM 808 CB ALA B 222 87.764 0.853 -1.146 1.00 0.00 C ATOM 0 H ALA B 222 85.952 0.128 0.424 1.00 0.00 H new ATOM 0 HA ALA B 222 86.975 -0.993 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA B 222 88.588 0.940 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA B 222 86.927 1.464 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA B 222 88.091 1.198 -0.165 1.00 0.00 H new ATOM 814 N VAL B 223 88.801 -1.605 0.681 1.00 0.00 N ATOM 815 CA VAL B 223 89.927 -2.449 1.270 1.00 0.00 C ATOM 816 C VAL B 223 89.544 -3.961 1.196 1.00 0.00 C ATOM 817 O VAL B 223 90.387 -4.805 0.925 1.00 0.00 O ATOM 818 CB VAL B 223 90.214 -1.954 2.770 1.00 0.00 C ATOM 819 CG1 VAL B 223 91.420 -2.767 3.452 1.00 0.00 C ATOM 820 CG2 VAL B 223 90.540 -0.376 2.782 1.00 0.00 C ATOM 0 H VAL B 223 88.294 -1.060 1.378 1.00 0.00 H new ATOM 0 HA VAL B 223 90.847 -2.327 0.698 1.00 0.00 H new ATOM 0 HB VAL B 223 89.314 -2.146 3.354 1.00 0.00 H new ATOM 0 HG11 VAL B 223 91.579 -2.399 4.466 1.00 0.00 H new ATOM 0 HG12 VAL B 223 91.171 -3.828 3.486 1.00 0.00 H new ATOM 0 HG13 VAL B 223 92.330 -2.627 2.868 1.00 0.00 H new ATOM 0 HG21 VAL B 223 90.733 -0.052 3.805 1.00 0.00 H new ATOM 0 HG22 VAL B 223 91.419 -0.181 2.168 1.00 0.00 H new ATOM 0 HG23 VAL B 223 89.689 0.174 2.382 1.00 0.00 H new ATOM 830 N VAL B 224 88.246 -4.274 1.454 1.00 0.00 N ATOM 831 CA VAL B 224 87.699 -5.703 1.434 1.00 0.00 C ATOM 832 C VAL B 224 87.925 -6.371 0.038 1.00 0.00 C ATOM 833 O VAL B 224 88.147 -7.570 -0.026 1.00 0.00 O ATOM 834 CB VAL B 224 86.154 -5.668 1.872 1.00 0.00 C ATOM 835 CG1 VAL B 224 85.419 -7.086 1.724 1.00 0.00 C ATOM 836 CG2 VAL B 224 86.020 -5.148 3.391 1.00 0.00 C ATOM 0 H VAL B 224 87.541 -3.572 1.681 1.00 0.00 H new ATOM 0 HA VAL B 224 88.240 -6.325 2.148 1.00 0.00 H new ATOM 0 HB VAL B 224 85.657 -4.979 1.189 1.00 0.00 H new ATOM 0 HG11 VAL B 224 84.379 -6.991 2.037 1.00 0.00 H new ATOM 0 HG12 VAL B 224 85.457 -7.409 0.684 1.00 0.00 H new ATOM 0 HG13 VAL B 224 85.921 -7.823 2.351 1.00 0.00 H new ATOM 0 HG21 VAL B 224 84.968 -5.128 3.677 1.00 0.00 H new ATOM 0 HG22 VAL B 224 86.564 -5.820 4.055 1.00 0.00 H new ATOM 0 HG23 VAL B 224 86.436 -4.144 3.470 1.00 0.00 H new ATOM 846 N LEU B 225 87.879 -5.582 -1.082 1.00 0.00 N ATOM 847 CA LEU B 225 88.100 -6.162 -2.490 1.00 0.00 C ATOM 848 C LEU B 225 89.518 -6.825 -2.585 1.00 0.00 C ATOM 849 O LEU B 225 89.673 -7.905 -3.142 1.00 0.00 O ATOM 850 CB LEU B 225 87.942 -5.021 -3.591 1.00 0.00 C ATOM 851 CG LEU B 225 86.448 -4.397 -3.692 1.00 0.00 C ATOM 852 CD1 LEU B 225 86.435 -3.108 -4.632 1.00 0.00 C ATOM 853 CD2 LEU B 225 85.376 -5.464 -4.211 1.00 0.00 C ATOM 0 H LEU B 225 87.699 -4.578 -1.064 1.00 0.00 H new ATOM 0 HA LEU B 225 87.346 -6.926 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU B 225 88.645 -4.218 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU B 225 88.220 -5.429 -4.563 1.00 0.00 H new ATOM 0 HG LEU B 225 86.160 -4.107 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU B 225 85.423 -2.706 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU B 225 87.104 -2.352 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU B 225 86.769 -3.384 -5.632 1.00 0.00 H new ATOM 0 HD21 LEU B 225 84.392 -4.997 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU B 225 85.662 -5.814 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU B 225 85.342 -6.309 -3.524 1.00 0.00 H new ATOM 865 N ILE B 226 90.540 -6.128 -2.029 1.00 0.00 N ATOM 866 CA ILE B 226 91.987 -6.614 -2.032 1.00 0.00 C ATOM 867 C ILE B 226 92.145 -7.838 -1.071 1.00 0.00 C ATOM 868 O ILE B 226 92.682 -8.861 -1.447 1.00 0.00 O ATOM 869 CB ILE B 226 92.950 -5.390 -1.612 1.00 0.00 C ATOM 870 CG1 ILE B 226 92.718 -4.138 -2.620 1.00 0.00 C ATOM 871 CG2 ILE B 226 94.502 -5.831 -1.612 1.00 0.00 C ATOM 872 CD1 ILE B 226 93.450 -2.838 -2.174 1.00 0.00 C ATOM 0 H ILE B 226 90.413 -5.227 -1.568 1.00 0.00 H new ATOM 0 HA ILE B 226 92.271 -6.949 -3.029 1.00 0.00 H new ATOM 0 HB ILE B 226 92.694 -5.089 -0.596 1.00 0.00 H new ATOM 0 HG12 ILE B 226 93.062 -4.415 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE B 226 91.650 -3.936 -2.696 1.00 0.00 H new ATOM 0 HG21 ILE B 226 95.122 -4.982 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE B 226 94.649 -6.644 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE B 226 94.785 -6.165 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE B 226 93.251 -2.043 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE B 226 93.089 -2.536 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE B 226 94.523 -3.023 -2.125 1.00 0.00 H new ATOM 884 N VAL B 227 91.720 -7.652 0.196 1.00 0.00 N ATOM 885 CA VAL B 227 91.848 -8.692 1.309 1.00 0.00 C ATOM 886 C VAL B 227 90.981 -9.971 1.064 1.00 0.00 C ATOM 887 O VAL B 227 91.400 -11.059 1.435 1.00 0.00 O ATOM 888 CB VAL B 227 91.501 -7.980 2.707 1.00 0.00 C ATOM 889 CG1 VAL B 227 91.602 -8.991 3.955 1.00 0.00 C ATOM 890 CG2 VAL B 227 92.481 -6.726 2.947 1.00 0.00 C ATOM 0 H VAL B 227 91.275 -6.788 0.505 1.00 0.00 H new ATOM 0 HA VAL B 227 92.874 -9.060 1.327 1.00 0.00 H new ATOM 0 HB VAL B 227 90.467 -7.640 2.643 1.00 0.00 H new ATOM 0 HG11 VAL B 227 91.358 -8.459 4.875 1.00 0.00 H new ATOM 0 HG12 VAL B 227 90.901 -9.814 3.814 1.00 0.00 H new ATOM 0 HG13 VAL B 227 92.616 -9.386 4.022 1.00 0.00 H new ATOM 0 HG21 VAL B 227 92.237 -6.250 3.897 1.00 0.00 H new ATOM 0 HG22 VAL B 227 93.515 -7.071 2.968 1.00 0.00 H new ATOM 0 HG23 VAL B 227 92.355 -6.006 2.138 1.00 0.00 H new ATOM 900 N ALA B 228 89.750 -9.825 0.506 1.00 0.00 N ATOM 901 CA ALA B 228 88.790 -11.013 0.303 1.00 0.00 C ATOM 902 C ALA B 228 89.400 -12.125 -0.601 1.00 0.00 C ATOM 903 O ALA B 228 89.302 -13.304 -0.287 1.00 0.00 O ATOM 904 CB ALA B 228 87.427 -10.488 -0.289 1.00 0.00 C ATOM 0 H ALA B 228 89.378 -8.931 0.186 1.00 0.00 H new ATOM 0 HA ALA B 228 88.613 -11.473 1.275 1.00 0.00 H new ATOM 0 HB1 ALA B 228 86.746 -11.327 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA B 228 86.981 -9.774 0.403 1.00 0.00 H new ATOM 0 HB3 ALA B 228 87.610 -10.000 -1.246 1.00 0.00 H new ATOM 910 N VAL B 229 90.028 -11.732 -1.727 1.00 0.00 N ATOM 911 CA VAL B 229 90.689 -12.714 -2.686 1.00 0.00 C ATOM 912 C VAL B 229 91.999 -13.262 -2.046 1.00 0.00 C ATOM 913 O VAL B 229 92.391 -14.396 -2.294 1.00 0.00 O ATOM 914 CB VAL B 229 90.938 -12.017 -4.113 1.00 0.00 C ATOM 915 CG1 VAL B 229 89.536 -11.654 -4.811 1.00 0.00 C ATOM 916 CG2 VAL B 229 91.829 -10.698 -3.958 1.00 0.00 C ATOM 0 H VAL B 229 90.105 -10.757 -2.016 1.00 0.00 H new ATOM 0 HA VAL B 229 90.031 -13.564 -2.865 1.00 0.00 H new ATOM 0 HB VAL B 229 91.477 -12.724 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL B 229 89.721 -11.183 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL B 229 88.956 -12.565 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL B 229 88.979 -10.968 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL B 229 91.983 -10.246 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL B 229 91.318 -9.989 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL B 229 92.794 -10.960 -3.524 1.00 0.00 H new ATOM 926 N PHE B 230 92.694 -12.391 -1.258 1.00 0.00 N ATOM 927 CA PHE B 230 94.035 -12.740 -0.602 1.00 0.00 C ATOM 928 C PHE B 230 93.895 -13.894 0.440 1.00 0.00 C ATOM 929 O PHE B 230 94.725 -14.799 0.466 1.00 0.00 O ATOM 930 CB PHE B 230 94.633 -11.424 0.093 1.00 0.00 C ATOM 931 CG PHE B 230 96.225 -11.433 0.179 1.00 0.00 C ATOM 932 CD1 PHE B 230 96.897 -12.319 1.078 1.00 0.00 C ATOM 933 CD2 PHE B 230 97.025 -10.559 -0.642 1.00 0.00 C ATOM 934 CE1 PHE B 230 98.312 -12.326 1.153 1.00 0.00 C ATOM 935 CE2 PHE B 230 98.432 -10.578 -0.552 1.00 0.00 C ATOM 936 CZ PHE B 230 99.075 -11.458 0.342 1.00 0.00 C ATOM 0 H PHE B 230 92.370 -11.446 -1.050 1.00 0.00 H new ATOM 0 HA PHE B 230 94.715 -13.095 -1.376 1.00 0.00 H new ATOM 0 HB2 PHE B 230 94.310 -10.546 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE B 230 94.221 -11.331 1.098 1.00 0.00 H new ATOM 0 HD1 PHE B 230 96.323 -12.987 1.703 1.00 0.00 H new ATOM 0 HD2 PHE B 230 96.542 -9.883 -1.332 1.00 0.00 H new ATOM 0 HE1 PHE B 230 98.810 -13.000 1.835 1.00 0.00 H new ATOM 0 HE2 PHE B 230 99.019 -9.916 -1.171 1.00 0.00 H new ATOM 0 HZ PHE B 230 100.153 -11.468 0.407 1.00 0.00 H new ATOM 946 N VAL B 231 92.829 -13.849 1.303 1.00 0.00 N ATOM 947 CA VAL B 231 92.597 -14.934 2.366 1.00 0.00 C ATOM 948 C VAL B 231 92.188 -16.277 1.692 1.00 0.00 C ATOM 949 O VAL B 231 92.559 -17.347 2.152 1.00 0.00 O ATOM 950 CB VAL B 231 91.532 -14.440 3.470 1.00 0.00 C ATOM 951 CG1 VAL B 231 92.098 -13.154 4.255 1.00 0.00 C ATOM 952 CG2 VAL B 231 90.123 -14.100 2.800 1.00 0.00 C ATOM 0 H VAL B 231 92.129 -13.108 1.301 1.00 0.00 H new ATOM 0 HA VAL B 231 93.531 -15.116 2.898 1.00 0.00 H new ATOM 0 HB VAL B 231 91.382 -15.253 4.181 1.00 0.00 H new ATOM 0 HG11 VAL B 231 91.368 -12.831 4.998 1.00 0.00 H new ATOM 0 HG12 VAL B 231 93.032 -13.414 4.753 1.00 0.00 H new ATOM 0 HG13 VAL B 231 92.277 -12.345 3.547 1.00 0.00 H new ATOM 0 HG21 VAL B 231 89.425 -13.770 3.569 1.00 0.00 H new ATOM 0 HG22 VAL B 231 90.252 -13.308 2.063 1.00 0.00 H new ATOM 0 HG23 VAL B 231 89.729 -14.990 2.310 1.00 0.00 H new ATOM 962 N CYS B 232 91.401 -16.182 0.587 1.00 0.00 N ATOM 963 CA CYS B 232 90.906 -17.393 -0.194 1.00 0.00 C ATOM 964 C CYS B 232 92.096 -18.119 -0.894 1.00 0.00 C ATOM 965 O CYS B 232 92.134 -19.337 -0.969 1.00 0.00 O ATOM 966 CB CYS B 232 89.842 -16.907 -1.248 1.00 0.00 C ATOM 967 SG CYS B 232 88.404 -16.185 -0.400 1.00 0.00 S ATOM 0 H CYS B 232 91.086 -15.291 0.203 1.00 0.00 H new ATOM 0 HA CYS B 232 90.444 -18.109 0.486 1.00 0.00 H new ATOM 0 HB2 CYS B 232 90.289 -16.169 -1.914 1.00 0.00 H new ATOM 0 HB3 CYS B 232 89.525 -17.745 -1.869 1.00 0.00 H new ATOM 0 HG CYS B 232 88.650 -14.942 -0.110 1.00 0.00 H new ATOM 973 N LYS B 233 93.044 -17.312 -1.428 1.00 0.00 N ATOM 974 CA LYS B 233 94.269 -17.822 -2.178 1.00 0.00 C ATOM 975 C LYS B 233 95.291 -18.466 -1.203 1.00 0.00 C ATOM 976 O LYS B 233 96.043 -19.345 -1.593 1.00 0.00 O ATOM 977 CB LYS B 233 94.904 -16.602 -2.977 1.00 0.00 C ATOM 978 CG LYS B 233 96.121 -17.032 -3.930 1.00 0.00 C ATOM 979 CD LYS B 233 96.689 -15.793 -4.770 1.00 0.00 C ATOM 980 CE LYS B 233 97.882 -16.206 -5.714 1.00 0.00 C ATOM 981 NZ LYS B 233 98.357 -15.002 -6.452 1.00 0.00 N ATOM 0 H LYS B 233 93.003 -16.295 -1.364 1.00 0.00 H new ATOM 0 HA LYS B 233 93.980 -18.603 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS B 233 94.129 -16.129 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS B 233 95.255 -15.854 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS B 233 96.922 -17.458 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS B 233 95.788 -17.812 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS B 233 95.886 -15.365 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS B 233 97.024 -15.015 -4.084 1.00 0.00 H new ATOM 0 HE2 LYS B 233 98.695 -16.633 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS B 233 97.558 -16.974 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 99.145 -15.267 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 97.578 -14.614 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 98.680 -14.284 -5.773 1.00 0.00 H new ATOM 995 N SER B 234 95.330 -17.981 0.056 1.00 0.00 N ATOM 996 CA SER B 234 96.305 -18.497 1.109 1.00 0.00 C ATOM 997 C SER B 234 95.854 -19.880 1.644 1.00 0.00 C ATOM 998 O SER B 234 96.665 -20.772 1.837 1.00 0.00 O ATOM 999 CB SER B 234 96.373 -17.454 2.279 1.00 0.00 C ATOM 1000 OG SER B 234 95.101 -17.374 2.914 1.00 0.00 O ATOM 0 H SER B 234 94.715 -17.240 0.391 1.00 0.00 H new ATOM 0 HA SER B 234 97.292 -18.620 0.663 1.00 0.00 H new ATOM 0 HB2 SER B 234 97.134 -17.749 3.001 1.00 0.00 H new ATOM 0 HB3 SER B 234 96.662 -16.476 1.893 1.00 0.00 H new ATOM 0 HG SER B 234 94.394 -17.444 2.239 1.00 0.00 H new ATOM 1006 N LEU B 235 94.538 -20.011 1.903 1.00 0.00 N ATOM 1007 CA LEU B 235 93.903 -21.281 2.466 1.00 0.00 C ATOM 1008 C LEU B 235 93.735 -22.387 1.371 1.00 0.00 C ATOM 1009 O LEU B 235 93.754 -23.570 1.693 1.00 0.00 O ATOM 1010 CB LEU B 235 92.492 -20.886 3.095 1.00 0.00 C ATOM 1011 CG LEU B 235 92.596 -19.839 4.334 1.00 0.00 C ATOM 1012 CD1 LEU B 235 91.174 -19.199 4.663 1.00 0.00 C ATOM 1013 CD2 LEU B 235 93.209 -20.516 5.646 1.00 0.00 C ATOM 0 H LEU B 235 93.866 -19.262 1.739 1.00 0.00 H new ATOM 0 HA LEU B 235 94.556 -21.703 3.229 1.00 0.00 H new ATOM 0 HB2 LEU B 235 91.866 -20.451 2.316 1.00 0.00 H new ATOM 0 HB3 LEU B 235 91.991 -21.791 3.438 1.00 0.00 H new ATOM 0 HG LEU B 235 93.276 -19.048 4.019 1.00 0.00 H new ATOM 0 HD11 LEU B 235 91.272 -18.503 5.496 1.00 0.00 H new ATOM 0 HD12 LEU B 235 90.803 -18.667 3.787 1.00 0.00 H new ATOM 0 HD13 LEU B 235 90.473 -19.989 4.932 1.00 0.00 H new ATOM 0 HD21 LEU B 235 93.259 -19.778 6.447 1.00 0.00 H new ATOM 0 HD22 LEU B 235 92.575 -21.346 5.957 1.00 0.00 H new ATOM 0 HD23 LEU B 235 94.211 -20.886 5.430 1.00 0.00 H new ATOM 1025 N LEU B 236 93.508 -21.980 0.091 1.00 0.00 N ATOM 1026 CA LEU B 236 93.258 -22.957 -1.067 1.00 0.00 C ATOM 1027 C LEU B 236 94.591 -23.551 -1.617 1.00 0.00 C ATOM 1028 O LEU B 236 94.585 -24.659 -2.141 1.00 0.00 O ATOM 1029 CB LEU B 236 92.446 -22.179 -2.186 1.00 0.00 C ATOM 1030 CG LEU B 236 92.087 -23.042 -3.512 1.00 0.00 C ATOM 1031 CD1 LEU B 236 91.225 -24.330 -3.179 1.00 0.00 C ATOM 1032 CD2 LEU B 236 91.337 -22.127 -4.586 1.00 0.00 C ATOM 0 H LEU B 236 93.488 -20.999 -0.188 1.00 0.00 H new ATOM 0 HA LEU B 236 92.678 -23.812 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU B 236 91.517 -21.813 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU B 236 93.022 -21.304 -2.487 1.00 0.00 H new ATOM 0 HG LEU B 236 93.030 -23.390 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU B 236 91.011 -24.873 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU B 236 91.782 -24.974 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU B 236 90.288 -24.030 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU B 236 91.103 -22.721 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU B 236 90.414 -21.741 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU B 236 91.982 -21.295 -4.868 1.00 0.00 H new ATOM 1214 N LEU C 211 87.488 9.241 17.932 1.00 0.00 N ATOM 1215 CA LEU C 211 88.132 8.234 16.974 1.00 0.00 C ATOM 1216 C LEU C 211 87.915 8.686 15.508 1.00 0.00 C ATOM 1217 O LEU C 211 88.162 7.931 14.584 1.00 0.00 O ATOM 1218 CB LEU C 211 87.513 6.779 17.258 1.00 0.00 C ATOM 1219 CG LEU C 211 88.461 5.540 16.758 1.00 0.00 C ATOM 1220 CD1 LEU C 211 89.552 5.150 17.848 1.00 0.00 C ATOM 1221 CD2 LEU C 211 87.596 4.266 16.346 1.00 0.00 C ATOM 0 HA LEU C 211 89.208 8.185 17.138 1.00 0.00 H new ATOM 0 HB2 LEU C 211 87.332 6.675 18.328 1.00 0.00 H new ATOM 0 HB3 LEU C 211 86.545 6.705 16.763 1.00 0.00 H new ATOM 0 HG LEU C 211 88.989 5.889 15.871 1.00 0.00 H new ATOM 0 HD11 LEU C 211 90.159 4.325 17.476 1.00 0.00 H new ATOM 0 HD12 LEU C 211 90.192 6.010 18.047 1.00 0.00 H new ATOM 0 HD13 LEU C 211 89.054 4.848 18.769 1.00 0.00 H new ATOM 0 HD21 LEU C 211 88.260 3.465 16.020 1.00 0.00 H new ATOM 0 HD22 LEU C 211 87.014 3.928 17.204 1.00 0.00 H new ATOM 0 HD23 LEU C 211 86.921 4.532 15.532 1.00 0.00 H new ATOM 1233 N SER C 212 87.462 9.957 15.327 1.00 0.00 N ATOM 1234 CA SER C 212 87.217 10.583 13.961 1.00 0.00 C ATOM 1235 C SER C 212 88.533 10.663 13.155 1.00 0.00 C ATOM 1236 O SER C 212 88.522 10.806 11.949 1.00 0.00 O ATOM 1237 CB SER C 212 86.612 12.009 14.141 1.00 0.00 C ATOM 1238 OG SER C 212 86.254 12.532 12.867 1.00 0.00 O ATOM 0 H SER C 212 87.253 10.585 16.103 1.00 0.00 H new ATOM 0 HA SER C 212 86.515 9.959 13.409 1.00 0.00 H new ATOM 0 HB2 SER C 212 85.736 11.966 14.788 1.00 0.00 H new ATOM 0 HB3 SER C 212 87.335 12.665 14.626 1.00 0.00 H new ATOM 0 HG SER C 212 85.872 13.428 12.977 1.00 0.00 H new ATOM 1244 N GLY C 213 89.660 10.598 13.896 1.00 0.00 N ATOM 1245 CA GLY C 213 91.053 10.684 13.324 1.00 0.00 C ATOM 1246 C GLY C 213 91.367 9.559 12.322 1.00 0.00 C ATOM 1247 O GLY C 213 91.916 9.824 11.258 1.00 0.00 O ATOM 0 H GLY C 213 89.647 10.484 14.910 1.00 0.00 H new ATOM 0 HA2 GLY C 213 91.177 11.647 12.829 1.00 0.00 H new ATOM 0 HA3 GLY C 213 91.776 10.649 14.139 1.00 0.00 H new ATOM 1251 N ILE C 214 91.035 8.274 12.674 1.00 0.00 N ATOM 1252 CA ILE C 214 91.335 7.086 11.742 1.00 0.00 C ATOM 1253 C ILE C 214 90.500 7.172 10.431 1.00 0.00 C ATOM 1254 O ILE C 214 90.949 6.771 9.369 1.00 0.00 O ATOM 1255 CB ILE C 214 91.241 5.649 12.464 1.00 0.00 C ATOM 1256 CG1 ILE C 214 89.722 5.132 12.666 1.00 0.00 C ATOM 1257 CG2 ILE C 214 92.021 5.708 13.861 1.00 0.00 C ATOM 1258 CD1 ILE C 214 89.648 3.662 13.190 1.00 0.00 C ATOM 0 H ILE C 214 90.580 8.021 13.551 1.00 0.00 H new ATOM 0 HA ILE C 214 92.385 7.173 11.461 1.00 0.00 H new ATOM 0 HB ILE C 214 91.713 4.919 11.806 1.00 0.00 H new ATOM 0 HG12 ILE C 214 89.210 5.790 13.368 1.00 0.00 H new ATOM 0 HG13 ILE C 214 89.190 5.202 11.717 1.00 0.00 H new ATOM 0 HG21 ILE C 214 91.960 4.737 14.353 1.00 0.00 H new ATOM 0 HG22 ILE C 214 93.067 5.960 13.684 1.00 0.00 H new ATOM 0 HG23 ILE C 214 91.568 6.467 14.499 1.00 0.00 H new ATOM 0 HD11 ILE C 214 88.605 3.369 13.307 1.00 0.00 H new ATOM 0 HD12 ILE C 214 90.134 2.997 12.477 1.00 0.00 H new ATOM 0 HD13 ILE C 214 90.154 3.593 14.153 1.00 0.00 H new ATOM 1270 N ILE C 215 89.241 7.680 10.547 1.00 0.00 N ATOM 1271 CA ILE C 215 88.276 7.812 9.362 1.00 0.00 C ATOM 1272 C ILE C 215 88.966 8.618 8.208 1.00 0.00 C ATOM 1273 O ILE C 215 88.732 8.361 7.042 1.00 0.00 O ATOM 1274 CB ILE C 215 86.910 8.511 9.834 1.00 0.00 C ATOM 1275 CG1 ILE C 215 86.285 7.759 11.126 1.00 0.00 C ATOM 1276 CG2 ILE C 215 85.828 8.583 8.649 1.00 0.00 C ATOM 1277 CD1 ILE C 215 85.898 6.266 10.893 1.00 0.00 C ATOM 0 H ILE C 215 88.852 8.008 11.431 1.00 0.00 H new ATOM 0 HA ILE C 215 88.025 6.821 8.983 1.00 0.00 H new ATOM 0 HB ILE C 215 87.160 9.534 10.115 1.00 0.00 H new ATOM 0 HG12 ILE C 215 87.006 7.809 11.942 1.00 0.00 H new ATOM 0 HG13 ILE C 215 85.398 8.303 11.451 1.00 0.00 H new ATOM 0 HG21 ILE C 215 84.920 9.063 9.014 1.00 0.00 H new ATOM 0 HG22 ILE C 215 86.235 9.160 7.819 1.00 0.00 H new ATOM 0 HG23 ILE C 215 85.593 7.574 8.309 1.00 0.00 H new ATOM 0 HD11 ILE C 215 85.489 5.848 11.813 1.00 0.00 H new ATOM 0 HD12 ILE C 215 85.150 6.203 10.102 1.00 0.00 H new ATOM 0 HD13 ILE C 215 86.784 5.702 10.601 1.00 0.00 H new ATOM 1289 N ILE C 216 89.814 9.604 8.585 1.00 0.00 N ATOM 1290 CA ILE C 216 90.590 10.467 7.592 1.00 0.00 C ATOM 1291 C ILE C 216 91.695 9.586 6.900 1.00 0.00 C ATOM 1292 O ILE C 216 91.923 9.675 5.703 1.00 0.00 O ATOM 1293 CB ILE C 216 91.203 11.736 8.373 1.00 0.00 C ATOM 1294 CG1 ILE C 216 90.012 12.542 9.130 1.00 0.00 C ATOM 1295 CG2 ILE C 216 92.003 12.712 7.376 1.00 0.00 C ATOM 1296 CD1 ILE C 216 90.519 13.682 10.059 1.00 0.00 C ATOM 0 H ILE C 216 89.995 9.840 9.561 1.00 0.00 H new ATOM 0 HA ILE C 216 89.939 10.849 6.805 1.00 0.00 H new ATOM 0 HB ILE C 216 91.916 11.371 9.112 1.00 0.00 H new ATOM 0 HG12 ILE C 216 89.341 12.966 8.383 1.00 0.00 H new ATOM 0 HG13 ILE C 216 89.427 11.837 9.721 1.00 0.00 H new ATOM 0 HG21 ILE C 216 92.403 13.557 7.937 1.00 0.00 H new ATOM 0 HG22 ILE C 216 92.823 12.165 6.911 1.00 0.00 H new ATOM 0 HG23 ILE C 216 91.326 13.077 6.603 1.00 0.00 H new ATOM 0 HD11 ILE C 216 89.668 14.174 10.529 1.00 0.00 H new ATOM 0 HD12 ILE C 216 91.167 13.263 10.829 1.00 0.00 H new ATOM 0 HD13 ILE C 216 91.079 14.409 9.471 1.00 0.00 H new ATOM 1308 N TYR C 217 92.393 8.783 7.735 1.00 0.00 N ATOM 1309 CA TYR C 217 93.555 7.876 7.315 1.00 0.00 C ATOM 1310 C TYR C 217 93.157 6.688 6.381 1.00 0.00 C ATOM 1311 O TYR C 217 93.890 6.387 5.443 1.00 0.00 O ATOM 1312 CB TYR C 217 94.246 7.339 8.641 1.00 0.00 C ATOM 1313 CG TYR C 217 95.412 6.297 8.377 1.00 0.00 C ATOM 1314 CD1 TYR C 217 95.312 4.920 8.812 1.00 0.00 C ATOM 1315 CD2 TYR C 217 96.595 6.705 7.687 1.00 0.00 C ATOM 1316 CE1 TYR C 217 96.369 4.019 8.550 1.00 0.00 C ATOM 1317 CE2 TYR C 217 97.634 5.778 7.444 1.00 0.00 C ATOM 1318 CZ TYR C 217 97.515 4.449 7.871 1.00 0.00 C ATOM 1319 OH TYR C 217 98.541 3.555 7.622 1.00 0.00 O ATOM 0 H TYR C 217 92.187 8.725 8.732 1.00 0.00 H new ATOM 0 HA TYR C 217 94.238 8.474 6.711 1.00 0.00 H new ATOM 0 HB2 TYR C 217 94.647 8.185 9.199 1.00 0.00 H new ATOM 0 HB3 TYR C 217 93.489 6.871 9.271 1.00 0.00 H new ATOM 0 HD1 TYR C 217 94.431 4.581 9.336 1.00 0.00 H new ATOM 0 HD2 TYR C 217 96.696 7.726 7.350 1.00 0.00 H new ATOM 0 HE1 TYR C 217 96.292 2.992 8.876 1.00 0.00 H new ATOM 0 HE2 TYR C 217 98.526 6.097 6.925 1.00 0.00 H new ATOM 0 HH TYR C 217 99.263 4.011 7.141 1.00 0.00 H new ATOM 1329 N VAL C 218 92.054 5.951 6.692 1.00 0.00 N ATOM 1330 CA VAL C 218 91.665 4.700 5.879 1.00 0.00 C ATOM 1331 C VAL C 218 91.452 5.003 4.356 1.00 0.00 C ATOM 1332 O VAL C 218 91.752 4.160 3.517 1.00 0.00 O ATOM 1333 CB VAL C 218 90.386 4.002 6.552 1.00 0.00 C ATOM 1334 CG1 VAL C 218 89.116 4.962 6.505 1.00 0.00 C ATOM 1335 CG2 VAL C 218 90.051 2.582 5.877 1.00 0.00 C ATOM 0 H VAL C 218 91.423 6.167 7.464 1.00 0.00 H new ATOM 0 HA VAL C 218 92.500 4.001 5.910 1.00 0.00 H new ATOM 0 HB VAL C 218 90.637 3.816 7.596 1.00 0.00 H new ATOM 0 HG11 VAL C 218 88.265 4.462 6.968 1.00 0.00 H new ATOM 0 HG12 VAL C 218 89.335 5.882 7.047 1.00 0.00 H new ATOM 0 HG13 VAL C 218 88.877 5.199 5.468 1.00 0.00 H new ATOM 0 HG21 VAL C 218 89.179 2.145 6.363 1.00 0.00 H new ATOM 0 HG22 VAL C 218 89.843 2.723 4.816 1.00 0.00 H new ATOM 0 HG23 VAL C 218 90.904 1.914 5.993 1.00 0.00 H new ATOM 1345 N THR C 219 90.896 6.197 4.024 1.00 0.00 N ATOM 1346 CA THR C 219 90.602 6.597 2.578 1.00 0.00 C ATOM 1347 C THR C 219 91.897 6.771 1.739 1.00 0.00 C ATOM 1348 O THR C 219 92.003 6.231 0.641 1.00 0.00 O ATOM 1349 CB THR C 219 89.790 7.966 2.561 1.00 0.00 C ATOM 1350 OG1 THR C 219 90.639 9.010 3.047 1.00 0.00 O ATOM 1351 CG2 THR C 219 88.516 7.913 3.482 1.00 0.00 C ATOM 0 H THR C 219 90.637 6.906 4.710 1.00 0.00 H new ATOM 0 HA THR C 219 90.018 5.793 2.131 1.00 0.00 H new ATOM 0 HB THR C 219 89.468 8.146 1.535 1.00 0.00 H new ATOM 0 HG1 THR C 219 90.810 8.875 4.002 1.00 0.00 H new ATOM 0 HG21 THR C 219 87.995 8.869 3.438 1.00 0.00 H new ATOM 0 HG22 THR C 219 87.851 7.121 3.138 1.00 0.00 H new ATOM 0 HG23 THR C 219 88.818 7.712 4.510 1.00 0.00 H new ATOM 1359 N VAL C 220 92.880 7.543 2.277 1.00 0.00 N ATOM 1360 CA VAL C 220 94.204 7.802 1.560 1.00 0.00 C ATOM 1361 C VAL C 220 95.066 6.514 1.575 1.00 0.00 C ATOM 1362 O VAL C 220 95.741 6.211 0.605 1.00 0.00 O ATOM 1363 CB VAL C 220 94.940 9.071 2.208 1.00 0.00 C ATOM 1364 CG1 VAL C 220 95.189 8.862 3.765 1.00 0.00 C ATOM 1365 CG2 VAL C 220 96.311 9.418 1.447 1.00 0.00 C ATOM 0 H VAL C 220 92.804 7.999 3.186 1.00 0.00 H new ATOM 0 HA VAL C 220 94.028 8.050 0.513 1.00 0.00 H new ATOM 0 HB VAL C 220 94.274 9.925 2.086 1.00 0.00 H new ATOM 0 HG11 VAL C 220 95.689 9.740 4.174 1.00 0.00 H new ATOM 0 HG12 VAL C 220 94.234 8.720 4.270 1.00 0.00 H new ATOM 0 HG13 VAL C 220 95.815 7.983 3.919 1.00 0.00 H new ATOM 0 HG21 VAL C 220 96.779 10.283 1.916 1.00 0.00 H new ATOM 0 HG22 VAL C 220 96.986 8.564 1.506 1.00 0.00 H new ATOM 0 HG23 VAL C 220 96.100 9.642 0.401 1.00 0.00 H new ATOM 1375 N ALA C 221 95.025 5.755 2.707 1.00 0.00 N ATOM 1376 CA ALA C 221 95.826 4.467 2.863 1.00 0.00 C ATOM 1377 C ALA C 221 95.448 3.428 1.761 1.00 0.00 C ATOM 1378 O ALA C 221 96.296 2.676 1.302 1.00 0.00 O ATOM 1379 CB ALA C 221 95.577 3.877 4.299 1.00 0.00 C ATOM 0 H ALA C 221 94.461 5.993 3.523 1.00 0.00 H new ATOM 0 HA ALA C 221 96.886 4.691 2.743 1.00 0.00 H new ATOM 0 HB1 ALA C 221 96.147 2.955 4.418 1.00 0.00 H new ATOM 0 HB2 ALA C 221 95.896 4.600 5.050 1.00 0.00 H new ATOM 0 HB3 ALA C 221 94.515 3.666 4.427 1.00 0.00 H new ATOM 1385 N ALA C 222 94.143 3.409 1.366 1.00 0.00 N ATOM 1386 CA ALA C 222 93.612 2.450 0.312 1.00 0.00 C ATOM 1387 C ALA C 222 94.303 2.671 -1.073 1.00 0.00 C ATOM 1388 O ALA C 222 94.679 1.719 -1.736 1.00 0.00 O ATOM 1389 CB ALA C 222 92.054 2.649 0.209 1.00 0.00 C ATOM 0 H ALA C 222 93.433 4.034 1.748 1.00 0.00 H new ATOM 0 HA ALA C 222 93.839 1.425 0.606 1.00 0.00 H new ATOM 0 HB1 ALA C 222 91.649 1.971 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA C 222 91.595 2.436 1.175 1.00 0.00 H new ATOM 0 HB3 ALA C 222 91.837 3.678 -0.077 1.00 0.00 H new ATOM 1395 N VAL C 223 94.436 3.953 -1.491 1.00 0.00 N ATOM 1396 CA VAL C 223 95.075 4.340 -2.828 1.00 0.00 C ATOM 1397 C VAL C 223 96.606 4.055 -2.786 1.00 0.00 C ATOM 1398 O VAL C 223 97.179 3.556 -3.747 1.00 0.00 O ATOM 1399 CB VAL C 223 94.749 5.882 -3.138 1.00 0.00 C ATOM 1400 CG1 VAL C 223 95.361 6.356 -4.547 1.00 0.00 C ATOM 1401 CG2 VAL C 223 93.160 6.123 -3.124 1.00 0.00 C ATOM 0 H VAL C 223 94.119 4.753 -0.943 1.00 0.00 H new ATOM 0 HA VAL C 223 94.660 3.740 -3.637 1.00 0.00 H new ATOM 0 HB VAL C 223 95.218 6.479 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL C 223 95.116 7.405 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL C 223 96.444 6.234 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL C 223 94.938 5.751 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL C 223 92.949 7.171 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL C 223 92.691 5.498 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL C 223 92.761 5.863 -2.143 1.00 0.00 H new ATOM 1411 N VAL C 224 97.241 4.399 -1.641 1.00 0.00 N ATOM 1412 CA VAL C 224 98.737 4.203 -1.415 1.00 0.00 C ATOM 1413 C VAL C 224 99.082 2.683 -1.390 1.00 0.00 C ATOM 1414 O VAL C 224 100.166 2.295 -1.796 1.00 0.00 O ATOM 1415 CB VAL C 224 99.137 4.967 -0.062 1.00 0.00 C ATOM 1416 CG1 VAL C 224 100.635 4.660 0.423 1.00 0.00 C ATOM 1417 CG2 VAL C 224 98.938 6.556 -0.246 1.00 0.00 C ATOM 0 H VAL C 224 96.761 4.816 -0.844 1.00 0.00 H new ATOM 0 HA VAL C 224 99.322 4.628 -2.231 1.00 0.00 H new ATOM 0 HB VAL C 224 98.472 4.590 0.715 1.00 0.00 H new ATOM 0 HG11 VAL C 224 100.839 5.208 1.343 1.00 0.00 H new ATOM 0 HG12 VAL C 224 100.747 3.591 0.605 1.00 0.00 H new ATOM 0 HG13 VAL C 224 101.338 4.972 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL C 224 99.212 7.066 0.677 1.00 0.00 H new ATOM 0 HG22 VAL C 224 99.572 6.910 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL C 224 97.895 6.767 -0.482 1.00 0.00 H new ATOM 1427 N LEU C 225 98.145 1.841 -0.885 1.00 0.00 N ATOM 1428 CA LEU C 225 98.359 0.331 -0.774 1.00 0.00 C ATOM 1429 C LEU C 225 98.524 -0.341 -2.177 1.00 0.00 C ATOM 1430 O LEU C 225 99.288 -1.290 -2.318 1.00 0.00 O ATOM 1431 CB LEU C 225 97.146 -0.284 0.043 1.00 0.00 C ATOM 1432 CG LEU C 225 97.187 -1.894 0.245 1.00 0.00 C ATOM 1433 CD1 LEU C 225 98.523 -2.384 0.943 1.00 0.00 C ATOM 1434 CD2 LEU C 225 95.911 -2.384 1.073 1.00 0.00 C ATOM 0 H LEU C 225 97.236 2.154 -0.545 1.00 0.00 H new ATOM 0 HA LEU C 225 99.291 0.132 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU C 225 97.115 0.188 1.025 1.00 0.00 H new ATOM 0 HB3 LEU C 225 96.218 -0.022 -0.465 1.00 0.00 H new ATOM 0 HG LEU C 225 97.164 -2.342 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU C 225 98.499 -3.468 1.054 1.00 0.00 H new ATOM 0 HD12 LEU C 225 99.379 -2.101 0.330 1.00 0.00 H new ATOM 0 HD13 LEU C 225 98.611 -1.920 1.926 1.00 0.00 H new ATOM 0 HD21 LEU C 225 95.953 -3.466 1.200 1.00 0.00 H new ATOM 0 HD22 LEU C 225 95.906 -1.904 2.051 1.00 0.00 H new ATOM 0 HD23 LEU C 225 95.002 -2.117 0.533 1.00 0.00 H new ATOM 1446 N ILE C 226 97.755 0.138 -3.192 1.00 0.00 N ATOM 1447 CA ILE C 226 97.774 -0.459 -4.604 1.00 0.00 C ATOM 1448 C ILE C 226 99.127 -0.160 -5.340 1.00 0.00 C ATOM 1449 O ILE C 226 99.754 -1.059 -5.862 1.00 0.00 O ATOM 1450 CB ILE C 226 96.503 0.112 -5.420 1.00 0.00 C ATOM 1451 CG1 ILE C 226 95.130 -0.282 -4.646 1.00 0.00 C ATOM 1452 CG2 ILE C 226 96.466 -0.436 -6.935 1.00 0.00 C ATOM 1453 CD1 ILE C 226 93.861 0.401 -5.245 1.00 0.00 C ATOM 0 H ILE C 226 97.114 0.925 -3.086 1.00 0.00 H new ATOM 0 HA ILE C 226 97.701 -1.545 -4.542 1.00 0.00 H new ATOM 0 HB ILE C 226 96.597 1.197 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE C 226 95.001 -1.364 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE C 226 95.221 -0.004 -3.596 1.00 0.00 H new ATOM 0 HG21 ILE C 226 95.595 -0.028 -7.448 1.00 0.00 H new ATOM 0 HG22 ILE C 226 97.372 -0.127 -7.456 1.00 0.00 H new ATOM 0 HG23 ILE C 226 96.405 -1.524 -6.927 1.00 0.00 H new ATOM 0 HD11 ILE C 226 92.981 0.093 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE C 226 93.969 1.484 -5.187 1.00 0.00 H new ATOM 0 HD13 ILE C 226 93.745 0.103 -6.287 1.00 0.00 H new ATOM 1465 N VAL C 227 99.512 1.132 -5.427 1.00 0.00 N ATOM 1466 CA VAL C 227 100.771 1.598 -6.168 1.00 0.00 C ATOM 1467 C VAL C 227 102.104 1.124 -5.507 1.00 0.00 C ATOM 1468 O VAL C 227 103.089 0.902 -6.199 1.00 0.00 O ATOM 1469 CB VAL C 227 100.710 3.195 -6.347 1.00 0.00 C ATOM 1470 CG1 VAL C 227 99.372 3.617 -7.134 1.00 0.00 C ATOM 1471 CG2 VAL C 227 100.755 3.922 -4.925 1.00 0.00 C ATOM 0 H VAL C 227 98.987 1.896 -5.001 1.00 0.00 H new ATOM 0 HA VAL C 227 100.778 1.122 -7.149 1.00 0.00 H new ATOM 0 HB VAL C 227 101.578 3.508 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL C 227 99.344 4.701 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL C 227 99.365 3.148 -8.118 1.00 0.00 H new ATOM 0 HG13 VAL C 227 98.499 3.289 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL C 227 100.713 5.002 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL C 227 99.903 3.601 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL C 227 101.680 3.660 -4.411 1.00 0.00 H new ATOM 1481 N ALA C 228 102.135 1.091 -4.155 1.00 0.00 N ATOM 1482 CA ALA C 228 103.397 0.775 -3.350 1.00 0.00 C ATOM 1483 C ALA C 228 104.030 -0.618 -3.668 1.00 0.00 C ATOM 1484 O ALA C 228 105.243 -0.758 -3.557 1.00 0.00 O ATOM 1485 CB ALA C 228 103.056 0.890 -1.816 1.00 0.00 C ATOM 0 H ALA C 228 101.316 1.275 -3.575 1.00 0.00 H new ATOM 0 HA ALA C 228 104.154 1.503 -3.640 1.00 0.00 H new ATOM 0 HB1 ALA C 228 103.946 0.667 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA C 228 102.718 1.902 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA C 228 102.268 0.180 -1.564 1.00 0.00 H new ATOM 1491 N VAL C 229 103.222 -1.651 -4.038 1.00 0.00 N ATOM 1492 CA VAL C 229 103.795 -3.047 -4.342 1.00 0.00 C ATOM 1493 C VAL C 229 104.693 -3.006 -5.619 1.00 0.00 C ATOM 1494 O VAL C 229 105.704 -3.689 -5.688 1.00 0.00 O ATOM 1495 CB VAL C 229 102.638 -4.165 -4.435 1.00 0.00 C ATOM 1496 CG1 VAL C 229 101.704 -4.085 -3.135 1.00 0.00 C ATOM 1497 CG2 VAL C 229 101.752 -4.023 -5.764 1.00 0.00 C ATOM 0 H VAL C 229 102.210 -1.578 -4.138 1.00 0.00 H new ATOM 0 HA VAL C 229 104.430 -3.342 -3.507 1.00 0.00 H new ATOM 0 HB VAL C 229 103.126 -5.138 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL C 229 100.923 -4.842 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL C 229 102.306 -4.261 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL C 229 101.247 -3.097 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL C 229 100.988 -4.800 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL C 229 101.274 -3.044 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL C 229 102.391 -4.129 -6.640 1.00 0.00 H new ATOM 1507 N PHE C 230 104.289 -2.177 -6.632 1.00 0.00 N ATOM 1508 CA PHE C 230 105.064 -2.033 -7.944 1.00 0.00 C ATOM 1509 C PHE C 230 106.462 -1.389 -7.695 1.00 0.00 C ATOM 1510 O PHE C 230 107.413 -1.674 -8.413 1.00 0.00 O ATOM 1511 CB PHE C 230 104.199 -1.190 -8.964 1.00 0.00 C ATOM 1512 CG PHE C 230 102.869 -1.983 -9.331 1.00 0.00 C ATOM 1513 CD1 PHE C 230 101.702 -1.870 -8.512 1.00 0.00 C ATOM 1514 CD2 PHE C 230 102.814 -2.847 -10.476 1.00 0.00 C ATOM 1515 CE1 PHE C 230 100.527 -2.593 -8.828 1.00 0.00 C ATOM 1516 CE2 PHE C 230 101.631 -3.561 -10.781 1.00 0.00 C ATOM 1517 CZ PHE C 230 100.491 -3.433 -9.959 1.00 0.00 C ATOM 0 H PHE C 230 103.449 -1.601 -6.584 1.00 0.00 H new ATOM 0 HA PHE C 230 105.245 -3.018 -8.374 1.00 0.00 H new ATOM 0 HB2 PHE C 230 103.948 -0.223 -8.529 1.00 0.00 H new ATOM 0 HB3 PHE C 230 104.776 -0.993 -9.867 1.00 0.00 H new ATOM 0 HD1 PHE C 230 101.717 -1.227 -7.644 1.00 0.00 H new ATOM 0 HD2 PHE C 230 103.682 -2.953 -11.110 1.00 0.00 H new ATOM 0 HE1 PHE C 230 99.654 -2.501 -8.199 1.00 0.00 H new ATOM 0 HE2 PHE C 230 101.600 -4.207 -11.646 1.00 0.00 H new ATOM 0 HZ PHE C 230 99.590 -3.979 -10.197 1.00 0.00 H new ATOM 1527 N VAL C 231 106.560 -0.520 -6.653 1.00 0.00 N ATOM 1528 CA VAL C 231 107.864 0.183 -6.266 1.00 0.00 C ATOM 1529 C VAL C 231 108.869 -0.876 -5.712 1.00 0.00 C ATOM 1530 O VAL C 231 110.057 -0.822 -5.994 1.00 0.00 O ATOM 1531 CB VAL C 231 107.560 1.342 -5.196 1.00 0.00 C ATOM 1532 CG1 VAL C 231 108.889 2.154 -4.796 1.00 0.00 C ATOM 1533 CG2 VAL C 231 106.454 2.351 -5.772 1.00 0.00 C ATOM 0 H VAL C 231 105.770 -0.275 -6.055 1.00 0.00 H new ATOM 0 HA VAL C 231 108.315 0.655 -7.139 1.00 0.00 H new ATOM 0 HB VAL C 231 107.181 0.863 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL C 231 108.638 2.928 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL C 231 109.616 1.469 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL C 231 109.315 2.616 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL C 231 106.256 3.132 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL C 231 106.819 2.804 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL C 231 105.534 1.804 -5.976 1.00 0.00 H new ATOM 1543 N CYS C 232 108.345 -1.823 -4.894 1.00 0.00 N ATOM 1544 CA CYS C 232 109.171 -2.927 -4.252 1.00 0.00 C ATOM 1545 C CYS C 232 109.707 -3.928 -5.326 1.00 0.00 C ATOM 1546 O CYS C 232 110.877 -4.276 -5.333 1.00 0.00 O ATOM 1547 CB CYS C 232 108.270 -3.669 -3.193 1.00 0.00 C ATOM 1548 SG CYS C 232 107.684 -2.484 -1.943 1.00 0.00 S ATOM 0 H CYS C 232 107.355 -1.861 -4.651 1.00 0.00 H new ATOM 0 HA CYS C 232 110.041 -2.493 -3.759 1.00 0.00 H new ATOM 0 HB2 CYS C 232 107.420 -4.138 -3.690 1.00 0.00 H new ATOM 0 HB3 CYS C 232 108.838 -4.466 -2.713 1.00 0.00 H new ATOM 0 HG CYS C 232 106.707 -1.782 -2.435 1.00 0.00 H new ATOM 1554 N LYS C 233 108.791 -4.381 -6.218 1.00 0.00 N ATOM 1555 CA LYS C 233 109.102 -5.382 -7.332 1.00 0.00 C ATOM 1556 C LYS C 233 110.117 -4.803 -8.359 1.00 0.00 C ATOM 1557 O LYS C 233 110.817 -5.558 -9.022 1.00 0.00 O ATOM 1558 CB LYS C 233 107.732 -5.795 -8.032 1.00 0.00 C ATOM 1559 CG LYS C 233 106.785 -6.647 -7.056 1.00 0.00 C ATOM 1560 CD LYS C 233 105.382 -6.996 -7.744 1.00 0.00 C ATOM 1561 CE LYS C 233 104.440 -7.834 -6.799 1.00 0.00 C ATOM 1562 NZ LYS C 233 103.157 -8.104 -7.509 1.00 0.00 N ATOM 0 H LYS C 233 107.816 -4.081 -6.207 1.00 0.00 H new ATOM 0 HA LYS C 233 109.575 -6.266 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS C 233 107.205 -4.897 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS C 233 107.945 -6.378 -8.928 1.00 0.00 H new ATOM 0 HG2 LYS C 233 107.291 -7.570 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS C 233 106.610 -6.086 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS C 233 104.879 -6.071 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS C 233 105.560 -7.555 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS C 233 104.922 -8.772 -6.522 1.00 0.00 H new ATOM 0 HE3 LYS C 233 104.251 -7.288 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS C 233 102.529 -8.657 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS C 233 102.698 -7.203 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS C 233 103.348 -8.641 -8.379 1.00 0.00 H new