USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 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 180:sc= 0 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 THR OG1 : rot -63:sc= 0.125 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 -27:sc= 0.352 USER MOD Single : B 212 SER OG : rot 27:sc= 0.0616 USER MOD Single : B 217 TYR OH : rot 180:sc= 0 USER MOD Single : B 219 THR OG1 : rot -70:sc= 0.561 USER MOD Single : B 232 CYS SG : rot 88:sc= 1.2 USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 234 SER OG : rot 83:sc= 1.22 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 -70:sc= 0.00322 USER MOD Single : C 232 CYS SG : rot 75:sc= 0.148 USER MOD Single : C 233 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.19) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 212 84.292 20.221 0.161 1.00 0.00 N ATOM 72 CA SER A 212 83.406 19.055 0.560 1.00 0.00 C ATOM 73 C SER A 212 83.433 17.965 -0.540 1.00 0.00 C ATOM 74 O SER A 212 83.371 16.781 -0.266 1.00 0.00 O ATOM 75 CB SER A 212 81.952 19.567 0.790 1.00 0.00 C ATOM 76 OG SER A 212 81.124 18.481 1.188 1.00 0.00 O ATOM 0 HA SER A 212 83.778 18.615 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 212 81.945 20.343 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 212 81.565 20.017 -0.124 1.00 0.00 H new ATOM 0 HG SER A 212 80.210 18.803 1.334 1.00 0.00 H new ATOM 82 N GLY A 213 83.488 18.446 -1.796 1.00 0.00 N ATOM 83 CA GLY A 213 83.476 17.587 -3.044 1.00 0.00 C ATOM 84 C GLY A 213 84.600 16.530 -3.108 1.00 0.00 C ATOM 85 O GLY A 213 84.337 15.367 -3.397 1.00 0.00 O ATOM 0 H GLY A 213 83.543 19.444 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 213 82.514 17.079 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 213 83.555 18.236 -3.916 1.00 0.00 H new ATOM 89 N ILE A 214 85.876 16.953 -2.862 1.00 0.00 N ATOM 90 CA ILE A 214 87.082 16.006 -2.928 1.00 0.00 C ATOM 91 C ILE A 214 86.945 14.860 -1.873 1.00 0.00 C ATOM 92 O ILE A 214 87.351 13.734 -2.135 1.00 0.00 O ATOM 93 CB ILE A 214 88.458 16.826 -2.802 1.00 0.00 C ATOM 94 CG1 ILE A 214 89.769 15.870 -2.863 1.00 0.00 C ATOM 95 CG2 ILE A 214 88.473 17.704 -1.476 1.00 0.00 C ATOM 96 CD1 ILE A 214 89.878 15.015 -4.163 1.00 0.00 C ATOM 0 H ILE A 214 86.115 17.915 -2.620 1.00 0.00 H new ATOM 0 HA ILE A 214 87.103 15.522 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 214 88.506 17.486 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 214 90.661 16.490 -2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 214 89.758 15.202 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 214 89.414 18.250 -1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 214 87.644 18.411 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 214 88.371 17.053 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 214 90.781 14.406 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 214 89.006 14.366 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 214 89.923 15.675 -5.030 1.00 0.00 H new ATOM 108 N ILE A 215 86.373 15.170 -0.668 1.00 0.00 N ATOM 109 CA ILE A 215 86.186 14.133 0.453 1.00 0.00 C ATOM 110 C ILE A 215 85.237 12.980 -0.021 1.00 0.00 C ATOM 111 O ILE A 215 85.425 11.829 0.346 1.00 0.00 O ATOM 112 CB ILE A 215 85.647 14.843 1.801 1.00 0.00 C ATOM 113 CG1 ILE A 215 86.628 16.067 2.206 1.00 0.00 C ATOM 114 CG2 ILE A 215 85.528 13.786 3.012 1.00 0.00 C ATOM 115 CD1 ILE A 215 86.131 16.891 3.434 1.00 0.00 C ATOM 0 H ILE A 215 86.033 16.102 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 215 87.153 13.687 0.686 1.00 0.00 H new ATOM 0 HB ILE A 215 84.648 15.235 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 215 87.619 15.669 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 215 86.733 16.734 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 215 85.163 14.295 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 215 84.833 12.993 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 215 86.508 13.354 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 215 86.839 17.692 3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 215 85.153 17.319 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 215 86.053 16.238 4.303 1.00 0.00 H new ATOM 127 N ILE A 216 84.199 13.324 -0.826 1.00 0.00 N ATOM 128 CA ILE A 216 83.200 12.305 -1.373 1.00 0.00 C ATOM 129 C ILE A 216 83.917 11.402 -2.433 1.00 0.00 C ATOM 130 O ILE A 216 83.766 10.191 -2.448 1.00 0.00 O ATOM 131 CB ILE A 216 81.935 13.087 -1.998 1.00 0.00 C ATOM 132 CG1 ILE A 216 81.238 14.008 -0.857 1.00 0.00 C ATOM 133 CG2 ILE A 216 80.859 12.069 -2.629 1.00 0.00 C ATOM 134 CD1 ILE A 216 80.136 14.960 -1.413 1.00 0.00 C ATOM 0 H ILE A 216 84.013 14.282 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 216 82.831 11.657 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 216 82.298 13.723 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 216 80.799 13.361 -0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 216 82.006 14.603 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 216 80.022 12.633 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 216 81.329 11.488 -3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 216 80.496 11.395 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 216 79.714 15.545 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 216 80.574 15.632 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 216 79.348 14.370 -1.882 1.00 0.00 H new ATOM 146 N TYR A 217 84.634 12.078 -3.353 1.00 0.00 N ATOM 147 CA TYR A 217 85.353 11.436 -4.534 1.00 0.00 C ATOM 148 C TYR A 217 86.569 10.518 -4.162 1.00 0.00 C ATOM 149 O TYR A 217 86.765 9.498 -4.812 1.00 0.00 O ATOM 150 CB TYR A 217 85.810 12.599 -5.513 1.00 0.00 C ATOM 151 CG TYR A 217 86.398 12.036 -6.885 1.00 0.00 C ATOM 152 CD1 TYR A 217 85.532 11.744 -7.990 1.00 0.00 C ATOM 153 CD2 TYR A 217 87.803 11.791 -7.043 1.00 0.00 C ATOM 154 CE1 TYR A 217 86.064 11.233 -9.197 1.00 0.00 C ATOM 155 CE2 TYR A 217 88.306 11.280 -8.261 1.00 0.00 C ATOM 156 CZ TYR A 217 87.439 11.006 -9.325 1.00 0.00 C ATOM 157 OH TYR A 217 87.945 10.506 -10.510 1.00 0.00 O ATOM 0 H TYR A 217 84.747 13.091 -3.321 1.00 0.00 H new ATOM 0 HA TYR A 217 84.645 10.756 -5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 217 84.961 13.249 -5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 217 86.565 13.211 -5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 217 84.469 11.915 -7.900 1.00 0.00 H new ATOM 0 HD2 TYR A 217 88.480 11.998 -6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 217 85.405 11.017 -10.025 1.00 0.00 H new ATOM 0 HE2 TYR A 217 89.365 11.100 -8.371 1.00 0.00 H new ATOM 0 HH TYR A 217 88.917 10.407 -10.435 1.00 0.00 H new ATOM 167 N VAL A 218 87.430 10.918 -3.175 1.00 0.00 N ATOM 168 CA VAL A 218 88.702 10.112 -2.828 1.00 0.00 C ATOM 169 C VAL A 218 88.373 8.637 -2.433 1.00 0.00 C ATOM 170 O VAL A 218 89.148 7.729 -2.711 1.00 0.00 O ATOM 171 CB VAL A 218 89.537 10.884 -1.697 1.00 0.00 C ATOM 172 CG1 VAL A 218 88.707 10.996 -0.342 1.00 0.00 C ATOM 173 CG2 VAL A 218 90.967 10.200 -1.434 1.00 0.00 C ATOM 0 H VAL A 218 87.297 11.757 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 218 89.325 10.041 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 218 89.720 11.892 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 218 89.300 11.524 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 218 87.783 11.544 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 218 88.470 9.997 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 218 91.499 10.755 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 218 90.823 9.170 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 218 91.550 10.211 -2.355 1.00 0.00 H new ATOM 183 N THR A 219 87.209 8.431 -1.776 1.00 0.00 N ATOM 184 CA THR A 219 86.733 7.053 -1.325 1.00 0.00 C ATOM 185 C THR A 219 86.298 6.211 -2.557 1.00 0.00 C ATOM 186 O THR A 219 86.699 5.064 -2.717 1.00 0.00 O ATOM 187 CB THR A 219 85.519 7.221 -0.318 1.00 0.00 C ATOM 188 OG1 THR A 219 84.389 7.724 -1.030 1.00 0.00 O ATOM 189 CG2 THR A 219 85.844 8.235 0.842 1.00 0.00 C ATOM 0 H THR A 219 86.565 9.184 -1.535 1.00 0.00 H new ATOM 0 HA THR A 219 87.548 6.534 -0.821 1.00 0.00 H new ATOM 0 HB THR A 219 85.321 6.242 0.118 1.00 0.00 H new ATOM 0 HG1 THR A 219 84.593 8.617 -1.379 1.00 0.00 H new ATOM 0 HG21 THR A 219 84.983 8.317 1.506 1.00 0.00 H new ATOM 0 HG22 THR A 219 86.705 7.878 1.407 1.00 0.00 H new ATOM 0 HG23 THR A 219 86.069 9.213 0.418 1.00 0.00 H new ATOM 197 N VAL A 220 85.466 6.833 -3.428 1.00 0.00 N ATOM 198 CA VAL A 220 84.935 6.189 -4.704 1.00 0.00 C ATOM 199 C VAL A 220 86.111 5.960 -5.704 1.00 0.00 C ATOM 200 O VAL A 220 86.085 5.023 -6.490 1.00 0.00 O ATOM 201 CB VAL A 220 83.789 7.130 -5.324 1.00 0.00 C ATOM 202 CG1 VAL A 220 83.165 6.512 -6.671 1.00 0.00 C ATOM 203 CG2 VAL A 220 82.623 7.371 -4.243 1.00 0.00 C ATOM 0 H VAL A 220 85.133 7.787 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 220 84.495 5.215 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 220 84.254 8.082 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 220 82.395 7.181 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 220 83.951 6.397 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 220 82.725 5.538 -6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 220 81.853 8.010 -4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 220 82.184 6.414 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 220 83.040 7.853 -3.359 1.00 0.00 H new ATOM 213 N ALA A 221 87.129 6.864 -5.658 1.00 0.00 N ATOM 214 CA ALA A 221 88.346 6.808 -6.577 1.00 0.00 C ATOM 215 C ALA A 221 89.124 5.464 -6.428 1.00 0.00 C ATOM 216 O ALA A 221 89.707 4.973 -7.384 1.00 0.00 O ATOM 217 CB ALA A 221 89.293 8.035 -6.289 1.00 0.00 C ATOM 0 H ALA A 221 87.149 7.645 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 221 87.993 6.862 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 221 90.160 7.988 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 221 88.750 8.963 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 221 89.625 8.003 -5.251 1.00 0.00 H new ATOM 223 N ALA A 222 89.158 4.910 -5.191 1.00 0.00 N ATOM 224 CA ALA A 222 89.898 3.612 -4.900 1.00 0.00 C ATOM 225 C ALA A 222 89.177 2.395 -5.552 1.00 0.00 C ATOM 226 O ALA A 222 89.820 1.442 -5.968 1.00 0.00 O ATOM 227 CB ALA A 222 90.013 3.444 -3.340 1.00 0.00 C ATOM 0 H ALA A 222 88.697 5.317 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 222 90.897 3.652 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 222 90.541 2.518 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 222 90.563 4.288 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 222 89.015 3.410 -2.903 1.00 0.00 H new ATOM 233 N VAL A 223 87.825 2.446 -5.580 1.00 0.00 N ATOM 234 CA VAL A 223 86.953 1.324 -6.137 1.00 0.00 C ATOM 235 C VAL A 223 87.080 1.215 -7.687 1.00 0.00 C ATOM 236 O VAL A 223 87.215 0.112 -8.210 1.00 0.00 O ATOM 237 CB VAL A 223 85.433 1.557 -5.671 1.00 0.00 C ATOM 238 CG1 VAL A 223 84.461 0.373 -6.161 1.00 0.00 C ATOM 239 CG2 VAL A 223 85.361 1.693 -4.071 1.00 0.00 C ATOM 0 H VAL A 223 87.291 3.241 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 223 87.298 0.370 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 223 85.089 2.481 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 223 83.444 0.573 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 223 84.477 0.316 -7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 223 84.802 -0.574 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 223 84.327 1.851 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 223 85.740 0.781 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 223 85.967 2.540 -3.750 1.00 0.00 H new ATOM 249 N VAL A 224 87.002 2.367 -8.432 1.00 0.00 N ATOM 250 CA VAL A 224 87.083 2.344 -9.965 1.00 0.00 C ATOM 251 C VAL A 224 88.456 1.779 -10.428 1.00 0.00 C ATOM 252 O VAL A 224 88.560 1.148 -11.465 1.00 0.00 O ATOM 253 CB VAL A 224 86.743 3.783 -10.605 1.00 0.00 C ATOM 254 CG1 VAL A 224 85.330 4.303 -10.052 1.00 0.00 C ATOM 255 CG2 VAL A 224 87.884 4.860 -10.302 1.00 0.00 C ATOM 0 H VAL A 224 86.887 3.298 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 224 86.315 1.668 -10.342 1.00 0.00 H new ATOM 0 HB VAL A 224 86.692 3.661 -11.687 1.00 0.00 H new ATOM 0 HG11 VAL A 224 85.105 5.276 -10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 224 84.549 3.594 -10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 224 85.375 4.393 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 224 87.612 5.815 -10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 224 87.990 4.984 -9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 224 88.829 4.517 -10.722 1.00 0.00 H new ATOM 265 N LEU A 225 89.504 2.044 -9.608 1.00 0.00 N ATOM 266 CA LEU A 225 90.938 1.592 -9.882 1.00 0.00 C ATOM 267 C LEU A 225 91.019 0.035 -10.116 1.00 0.00 C ATOM 268 O LEU A 225 91.695 -0.433 -11.022 1.00 0.00 O ATOM 269 CB LEU A 225 91.848 2.043 -8.631 1.00 0.00 C ATOM 270 CG LEU A 225 93.434 2.263 -8.945 1.00 0.00 C ATOM 271 CD1 LEU A 225 94.068 1.069 -9.767 1.00 0.00 C ATOM 272 CD2 LEU A 225 93.733 3.664 -9.647 1.00 0.00 C ATOM 0 H LEU A 225 89.406 2.571 -8.740 1.00 0.00 H new ATOM 0 HA LEU A 225 91.303 2.059 -10.797 1.00 0.00 H new ATOM 0 HB2 LEU A 225 91.445 2.973 -8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 225 91.754 1.291 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 225 93.922 2.277 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 225 95.124 1.271 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 225 93.966 0.143 -9.201 1.00 0.00 H new ATOM 0 HD13 LEU A 225 93.551 0.969 -10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 225 94.803 3.757 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 225 93.194 3.719 -10.593 1.00 0.00 H new ATOM 0 HD23 LEU A 225 93.406 4.474 -8.996 1.00 0.00 H new ATOM 284 N ILE A 226 90.340 -0.746 -9.232 1.00 0.00 N ATOM 285 CA ILE A 226 90.374 -2.283 -9.276 1.00 0.00 C ATOM 286 C ILE A 226 89.760 -2.868 -10.602 1.00 0.00 C ATOM 287 O ILE A 226 90.388 -3.667 -11.272 1.00 0.00 O ATOM 288 CB ILE A 226 89.588 -2.872 -7.994 1.00 0.00 C ATOM 289 CG1 ILE A 226 90.031 -2.127 -6.626 1.00 0.00 C ATOM 290 CG2 ILE A 226 89.786 -4.462 -7.849 1.00 0.00 C ATOM 291 CD1 ILE A 226 91.538 -2.244 -6.284 1.00 0.00 C ATOM 0 H ILE A 226 89.763 -0.369 -8.481 1.00 0.00 H new ATOM 0 HA ILE A 226 91.420 -2.589 -9.253 1.00 0.00 H new ATOM 0 HB ILE A 226 88.529 -2.676 -8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 226 89.771 -1.071 -6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 226 89.452 -2.539 -5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 226 89.241 -4.818 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 226 89.405 -4.959 -8.741 1.00 0.00 H new ATOM 0 HG23 ILE A 226 90.846 -4.688 -7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 226 91.742 -1.716 -5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 226 91.805 -3.295 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 226 92.129 -1.804 -7.088 1.00 0.00 H new ATOM 303 N VAL A 227 88.503 -2.490 -10.909 1.00 0.00 N ATOM 304 CA VAL A 227 87.729 -3.000 -12.128 1.00 0.00 C ATOM 305 C VAL A 227 88.326 -2.527 -13.487 1.00 0.00 C ATOM 306 O VAL A 227 88.229 -3.230 -14.483 1.00 0.00 O ATOM 307 CB VAL A 227 86.176 -2.615 -11.967 1.00 0.00 C ATOM 308 CG1 VAL A 227 85.588 -3.236 -10.603 1.00 0.00 C ATOM 309 CG2 VAL A 227 85.989 -1.029 -11.968 1.00 0.00 C ATOM 0 H VAL A 227 87.972 -1.828 -10.342 1.00 0.00 H new ATOM 0 HA VAL A 227 87.825 -4.085 -12.157 1.00 0.00 H new ATOM 0 HB VAL A 227 85.629 -3.032 -12.812 1.00 0.00 H new ATOM 0 HG11 VAL A 227 84.536 -2.968 -10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 227 85.686 -4.321 -10.626 1.00 0.00 H new ATOM 0 HG13 VAL A 227 86.144 -2.839 -9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 227 84.932 -0.787 -11.858 1.00 0.00 H new ATOM 0 HG22 VAL A 227 86.548 -0.596 -11.139 1.00 0.00 H new ATOM 0 HG23 VAL A 227 86.359 -0.620 -12.908 1.00 0.00 H new ATOM 319 N ALA A 228 88.841 -1.275 -13.519 1.00 0.00 N ATOM 320 CA ALA A 228 89.350 -0.607 -14.794 1.00 0.00 C ATOM 321 C ALA A 228 90.487 -1.398 -15.520 1.00 0.00 C ATOM 322 O ALA A 228 90.588 -1.312 -16.738 1.00 0.00 O ATOM 323 CB ALA A 228 89.838 0.849 -14.433 1.00 0.00 C ATOM 0 H ALA A 228 88.925 -0.687 -12.690 1.00 0.00 H new ATOM 0 HA ALA A 228 88.521 -0.583 -15.501 1.00 0.00 H new ATOM 0 HB1 ALA A 228 90.206 1.343 -15.332 1.00 0.00 H new ATOM 0 HB2 ALA A 228 89.006 1.420 -14.020 1.00 0.00 H new ATOM 0 HB3 ALA A 228 90.640 0.792 -13.697 1.00 0.00 H new ATOM 329 N VAL A 229 91.352 -2.147 -14.781 1.00 0.00 N ATOM 330 CA VAL A 229 92.502 -2.934 -15.440 1.00 0.00 C ATOM 331 C VAL A 229 91.939 -4.053 -16.369 1.00 0.00 C ATOM 332 O VAL A 229 92.498 -4.336 -17.419 1.00 0.00 O ATOM 333 CB VAL A 229 93.527 -3.523 -14.341 1.00 0.00 C ATOM 334 CG1 VAL A 229 93.969 -2.359 -13.333 1.00 0.00 C ATOM 335 CG2 VAL A 229 92.910 -4.761 -13.526 1.00 0.00 C ATOM 0 H VAL A 229 91.304 -2.239 -13.766 1.00 0.00 H new ATOM 0 HA VAL A 229 93.073 -2.243 -16.060 1.00 0.00 H new ATOM 0 HB VAL A 229 94.399 -3.899 -14.876 1.00 0.00 H new ATOM 0 HG11 VAL A 229 94.661 -2.762 -12.593 1.00 0.00 H new ATOM 0 HG12 VAL A 229 94.459 -1.561 -13.891 1.00 0.00 H new ATOM 0 HG13 VAL A 229 93.089 -1.961 -12.828 1.00 0.00 H new ATOM 0 HG21 VAL A 229 93.640 -5.119 -12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 229 92.008 -4.440 -13.005 1.00 0.00 H new ATOM 0 HG23 VAL A 229 92.662 -5.565 -14.219 1.00 0.00 H new ATOM 345 N PHE A 230 90.814 -4.691 -15.930 1.00 0.00 N ATOM 346 CA PHE A 230 90.141 -5.817 -16.709 1.00 0.00 C ATOM 347 C PHE A 230 89.515 -5.276 -18.032 1.00 0.00 C ATOM 348 O PHE A 230 89.425 -6.004 -19.011 1.00 0.00 O ATOM 349 CB PHE A 230 89.056 -6.506 -15.790 1.00 0.00 C ATOM 350 CG PHE A 230 89.761 -7.276 -14.585 1.00 0.00 C ATOM 351 CD1 PHE A 230 89.955 -6.651 -13.311 1.00 0.00 C ATOM 352 CD2 PHE A 230 90.234 -8.619 -14.760 1.00 0.00 C ATOM 353 CE1 PHE A 230 90.593 -7.347 -12.257 1.00 0.00 C ATOM 354 CE2 PHE A 230 90.869 -9.302 -13.695 1.00 0.00 C ATOM 355 CZ PHE A 230 91.047 -8.668 -12.449 1.00 0.00 C ATOM 0 H PHE A 230 90.346 -4.460 -15.053 1.00 0.00 H new ATOM 0 HA PHE A 230 90.885 -6.563 -16.990 1.00 0.00 H new ATOM 0 HB2 PHE A 230 88.370 -5.754 -15.399 1.00 0.00 H new ATOM 0 HB3 PHE A 230 88.461 -7.204 -16.379 1.00 0.00 H new ATOM 0 HD1 PHE A 230 89.611 -5.639 -13.153 1.00 0.00 H new ATOM 0 HD2 PHE A 230 90.105 -9.113 -15.712 1.00 0.00 H new ATOM 0 HE1 PHE A 230 90.733 -6.864 -11.301 1.00 0.00 H new ATOM 0 HE2 PHE A 230 91.219 -10.314 -13.838 1.00 0.00 H new ATOM 0 HZ PHE A 230 91.532 -9.195 -11.640 1.00 0.00 H new ATOM 365 N VAL A 231 89.096 -3.979 -18.039 1.00 0.00 N ATOM 366 CA VAL A 231 88.473 -3.310 -19.269 1.00 0.00 C ATOM 367 C VAL A 231 89.553 -3.192 -20.390 1.00 0.00 C ATOM 368 O VAL A 231 89.259 -3.370 -21.565 1.00 0.00 O ATOM 369 CB VAL A 231 87.857 -1.880 -18.868 1.00 0.00 C ATOM 370 CG1 VAL A 231 87.141 -1.166 -20.119 1.00 0.00 C ATOM 371 CG2 VAL A 231 86.806 -2.055 -17.665 1.00 0.00 C ATOM 0 H VAL A 231 89.167 -3.364 -17.228 1.00 0.00 H new ATOM 0 HA VAL A 231 87.652 -3.916 -19.652 1.00 0.00 H new ATOM 0 HB VAL A 231 88.681 -1.242 -18.548 1.00 0.00 H new ATOM 0 HG11 VAL A 231 86.738 -0.203 -19.806 1.00 0.00 H new ATOM 0 HG12 VAL A 231 87.869 -1.013 -20.916 1.00 0.00 H new ATOM 0 HG13 VAL A 231 86.331 -1.797 -20.483 1.00 0.00 H new ATOM 0 HG21 VAL A 231 86.393 -1.082 -17.399 1.00 0.00 H new ATOM 0 HG22 VAL A 231 86.000 -2.718 -17.980 1.00 0.00 H new ATOM 0 HG23 VAL A 231 87.312 -2.484 -16.800 1.00 0.00 H new ATOM 381 N CYS A 232 90.812 -2.884 -19.974 1.00 0.00 N ATOM 382 CA CYS A 232 91.995 -2.731 -20.920 1.00 0.00 C ATOM 383 C CYS A 232 92.357 -4.106 -21.563 1.00 0.00 C ATOM 384 O CYS A 232 92.563 -4.209 -22.761 1.00 0.00 O ATOM 385 CB CYS A 232 93.211 -2.145 -20.109 1.00 0.00 C ATOM 386 SG CYS A 232 94.639 -1.807 -21.190 1.00 0.00 S ATOM 0 H CYS A 232 91.052 -2.733 -18.994 1.00 0.00 H new ATOM 0 HA CYS A 232 91.741 -2.049 -21.731 1.00 0.00 H new ATOM 0 HB2 CYS A 232 92.906 -1.225 -19.610 1.00 0.00 H new ATOM 0 HB3 CYS A 232 93.503 -2.849 -19.330 1.00 0.00 H new ATOM 0 HG CYS A 232 95.616 -1.324 -20.481 1.00 0.00 H new ATOM 392 N LYS A 233 92.440 -5.150 -20.705 1.00 0.00 N ATOM 393 CA LYS A 233 92.793 -6.570 -21.129 1.00 0.00 C ATOM 394 C LYS A 233 91.667 -7.191 -22.012 1.00 0.00 C ATOM 395 O LYS A 233 91.950 -7.864 -22.994 1.00 0.00 O ATOM 396 CB LYS A 233 93.046 -7.433 -19.816 1.00 0.00 C ATOM 397 CG LYS A 233 94.327 -6.921 -18.997 1.00 0.00 C ATOM 398 CD LYS A 233 94.565 -7.782 -17.667 1.00 0.00 C ATOM 399 CE LYS A 233 95.830 -7.300 -16.859 1.00 0.00 C ATOM 400 NZ LYS A 233 95.990 -8.159 -15.650 1.00 0.00 N ATOM 0 H LYS A 233 92.270 -5.057 -19.704 1.00 0.00 H new ATOM 0 HA LYS A 233 93.696 -6.561 -21.740 1.00 0.00 H new ATOM 0 HB2 LYS A 233 92.165 -7.387 -19.176 1.00 0.00 H new ATOM 0 HB3 LYS A 233 93.186 -8.479 -20.091 1.00 0.00 H new ATOM 0 HG2 LYS A 233 95.211 -6.980 -19.631 1.00 0.00 H new ATOM 0 HG3 LYS A 233 94.194 -5.872 -18.732 1.00 0.00 H new ATOM 0 HD2 LYS A 233 93.683 -7.714 -17.030 1.00 0.00 H new ATOM 0 HD3 LYS A 233 94.686 -8.832 -17.934 1.00 0.00 H new ATOM 0 HE2 LYS A 233 96.721 -7.360 -17.484 1.00 0.00 H new ATOM 0 HE3 LYS A 233 95.715 -6.256 -16.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 96.823 -7.848 -15.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 95.142 -8.080 -15.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 96.117 -9.149 -15.942 1.00 0.00 H new ATOM 414 N SER A 234 90.391 -6.956 -21.624 1.00 0.00 N ATOM 415 CA SER A 234 89.178 -7.505 -22.374 1.00 0.00 C ATOM 416 C SER A 234 89.088 -6.911 -23.806 1.00 0.00 C ATOM 417 O SER A 234 88.588 -7.557 -24.717 1.00 0.00 O ATOM 418 CB SER A 234 87.879 -7.168 -21.566 1.00 0.00 C ATOM 419 OG SER A 234 87.696 -5.758 -21.534 1.00 0.00 O ATOM 0 H SER A 234 90.150 -6.397 -20.806 1.00 0.00 H new ATOM 0 HA SER A 234 89.284 -8.586 -22.469 1.00 0.00 H new ATOM 0 HB2 SER A 234 87.016 -7.648 -22.027 1.00 0.00 H new ATOM 0 HB3 SER A 234 87.957 -7.559 -20.552 1.00 0.00 H new ATOM 0 HG SER A 234 88.566 -5.313 -21.613 1.00 0.00 H new ATOM 425 N LEU A 235 89.561 -5.647 -23.962 1.00 0.00 N ATOM 426 CA LEU A 235 89.528 -4.894 -25.289 1.00 0.00 C ATOM 427 C LEU A 235 90.542 -5.511 -26.300 1.00 0.00 C ATOM 428 O LEU A 235 90.263 -5.578 -27.490 1.00 0.00 O ATOM 429 CB LEU A 235 89.843 -3.367 -24.990 1.00 0.00 C ATOM 430 CG LEU A 235 89.849 -2.398 -26.288 1.00 0.00 C ATOM 431 CD1 LEU A 235 88.466 -2.418 -27.067 1.00 0.00 C ATOM 432 CD2 LEU A 235 90.238 -0.905 -25.867 1.00 0.00 C ATOM 0 H LEU A 235 89.973 -5.110 -23.199 1.00 0.00 H new ATOM 0 HA LEU A 235 88.544 -4.976 -25.752 1.00 0.00 H new ATOM 0 HB2 LEU A 235 89.105 -2.993 -24.280 1.00 0.00 H new ATOM 0 HB3 LEU A 235 90.816 -3.302 -24.503 1.00 0.00 H new ATOM 0 HG LEU A 235 90.604 -2.784 -26.974 1.00 0.00 H new ATOM 0 HD11 LEU A 235 88.524 -1.752 -27.928 1.00 0.00 H new ATOM 0 HD12 LEU A 235 88.254 -3.432 -27.406 1.00 0.00 H new ATOM 0 HD13 LEU A 235 87.669 -2.084 -26.402 1.00 0.00 H new ATOM 0 HD21 LEU A 235 90.238 -0.266 -26.750 1.00 0.00 H new ATOM 0 HD22 LEU A 235 89.511 -0.529 -25.147 1.00 0.00 H new ATOM 0 HD23 LEU A 235 91.231 -0.901 -25.417 1.00 0.00 H new ATOM 444 N LEU A 236 91.730 -5.947 -25.793 1.00 0.00 N ATOM 445 CA LEU A 236 92.834 -6.569 -26.653 1.00 0.00 C ATOM 446 C LEU A 236 92.549 -8.090 -26.866 1.00 0.00 C ATOM 447 O LEU A 236 92.936 -8.656 -27.881 1.00 0.00 O ATOM 448 CB LEU A 236 94.239 -6.327 -25.946 1.00 0.00 C ATOM 449 CG LEU A 236 94.568 -4.760 -25.692 1.00 0.00 C ATOM 450 CD1 LEU A 236 95.911 -4.594 -24.849 1.00 0.00 C ATOM 451 CD2 LEU A 236 94.656 -3.930 -27.054 1.00 0.00 C ATOM 0 H LEU A 236 91.967 -5.889 -24.803 1.00 0.00 H new ATOM 0 HA LEU A 236 92.857 -6.099 -27.636 1.00 0.00 H new ATOM 0 HB2 LEU A 236 94.253 -6.853 -24.992 1.00 0.00 H new ATOM 0 HB3 LEU A 236 95.027 -6.761 -26.561 1.00 0.00 H new ATOM 0 HG LEU A 236 93.737 -4.350 -25.117 1.00 0.00 H new ATOM 0 HD11 LEU A 236 96.112 -3.535 -24.690 1.00 0.00 H new ATOM 0 HD12 LEU A 236 95.799 -5.090 -23.885 1.00 0.00 H new ATOM 0 HD13 LEU A 236 96.741 -5.043 -25.394 1.00 0.00 H new ATOM 0 HD21 LEU A 236 94.878 -2.887 -26.830 1.00 0.00 H new ATOM 0 HD22 LEU A 236 95.446 -4.343 -27.681 1.00 0.00 H new ATOM 0 HD23 LEU A 236 93.704 -3.993 -27.581 1.00 0.00 H new ATOM 652 N SER B 212 74.869 10.532 4.594 1.00 0.00 N ATOM 653 CA SER B 212 76.001 10.470 5.608 1.00 0.00 C ATOM 654 C SER B 212 76.286 9.007 6.025 1.00 0.00 C ATOM 655 O SER B 212 77.362 8.712 6.498 1.00 0.00 O ATOM 656 CB SER B 212 75.649 11.356 6.847 1.00 0.00 C ATOM 657 OG SER B 212 75.499 12.705 6.419 1.00 0.00 O ATOM 0 HA SER B 212 76.910 10.861 5.150 1.00 0.00 H new ATOM 0 HB2 SER B 212 74.729 11.004 7.314 1.00 0.00 H new ATOM 0 HB3 SER B 212 76.435 11.284 7.598 1.00 0.00 H new ATOM 0 HG SER B 212 75.226 12.721 5.478 1.00 0.00 H new ATOM 663 N GLY B 213 75.280 8.124 5.862 1.00 0.00 N ATOM 664 CA GLY B 213 75.392 6.652 6.220 1.00 0.00 C ATOM 665 C GLY B 213 76.208 5.820 5.204 1.00 0.00 C ATOM 666 O GLY B 213 77.077 5.042 5.585 1.00 0.00 O ATOM 0 H GLY B 213 74.368 8.383 5.485 1.00 0.00 H new ATOM 0 HA2 GLY B 213 75.854 6.561 7.203 1.00 0.00 H new ATOM 0 HA3 GLY B 213 74.390 6.230 6.299 1.00 0.00 H new ATOM 670 N ILE B 214 75.857 5.945 3.889 1.00 0.00 N ATOM 671 CA ILE B 214 76.514 5.131 2.769 1.00 0.00 C ATOM 672 C ILE B 214 78.007 5.485 2.567 1.00 0.00 C ATOM 673 O ILE B 214 78.808 4.596 2.319 1.00 0.00 O ATOM 674 CB ILE B 214 75.657 5.282 1.416 1.00 0.00 C ATOM 675 CG1 ILE B 214 76.196 4.288 0.251 1.00 0.00 C ATOM 676 CG2 ILE B 214 75.639 6.799 0.918 1.00 0.00 C ATOM 677 CD1 ILE B 214 75.279 4.255 -1.008 1.00 0.00 C ATOM 0 H ILE B 214 75.135 6.587 3.561 1.00 0.00 H new ATOM 0 HA ILE B 214 76.510 4.082 3.065 1.00 0.00 H new ATOM 0 HB ILE B 214 74.632 4.989 1.642 1.00 0.00 H new ATOM 0 HG12 ILE B 214 77.198 4.598 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE B 214 76.282 3.279 0.655 1.00 0.00 H new ATOM 0 HG21 ILE B 214 75.053 6.874 0.002 1.00 0.00 H new ATOM 0 HG22 ILE B 214 75.192 7.429 1.687 1.00 0.00 H new ATOM 0 HG23 ILE B 214 76.659 7.131 0.725 1.00 0.00 H new ATOM 0 HD11 ILE B 214 75.699 3.571 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE B 214 74.283 3.916 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE B 214 75.213 5.255 -1.436 1.00 0.00 H new ATOM 689 N ILE B 215 78.381 6.795 2.661 1.00 0.00 N ATOM 690 CA ILE B 215 79.840 7.242 2.454 1.00 0.00 C ATOM 691 C ILE B 215 80.807 6.459 3.404 1.00 0.00 C ATOM 692 O ILE B 215 81.933 6.174 3.024 1.00 0.00 O ATOM 693 CB ILE B 215 79.978 8.837 2.599 1.00 0.00 C ATOM 694 CG1 ILE B 215 81.498 9.333 2.316 1.00 0.00 C ATOM 695 CG2 ILE B 215 79.468 9.314 4.024 1.00 0.00 C ATOM 696 CD1 ILE B 215 81.634 10.882 2.227 1.00 0.00 C ATOM 0 H ILE B 215 77.735 7.556 2.871 1.00 0.00 H new ATOM 0 HA ILE B 215 80.139 6.995 1.435 1.00 0.00 H new ATOM 0 HB ILE B 215 79.345 9.299 1.841 1.00 0.00 H new ATOM 0 HG12 ILE B 215 82.147 8.963 3.110 1.00 0.00 H new ATOM 0 HG13 ILE B 215 81.850 8.890 1.384 1.00 0.00 H new ATOM 0 HG21 ILE B 215 79.569 10.396 4.103 1.00 0.00 H new ATOM 0 HG22 ILE B 215 78.421 9.038 4.147 1.00 0.00 H new ATOM 0 HG23 ILE B 215 80.063 8.836 4.802 1.00 0.00 H new ATOM 0 HD11 ILE B 215 82.674 11.146 2.037 1.00 0.00 H new ATOM 0 HD12 ILE B 215 81.010 11.256 1.415 1.00 0.00 H new ATOM 0 HD13 ILE B 215 81.313 11.330 3.167 1.00 0.00 H new ATOM 708 N ILE B 216 80.337 6.110 4.644 1.00 0.00 N ATOM 709 CA ILE B 216 81.187 5.327 5.660 1.00 0.00 C ATOM 710 C ILE B 216 81.538 3.911 5.084 1.00 0.00 C ATOM 711 O ILE B 216 82.649 3.422 5.234 1.00 0.00 O ATOM 712 CB ILE B 216 80.400 5.172 7.060 1.00 0.00 C ATOM 713 CG1 ILE B 216 79.764 6.574 7.545 1.00 0.00 C ATOM 714 CG2 ILE B 216 81.338 4.554 8.208 1.00 0.00 C ATOM 715 CD1 ILE B 216 80.793 7.705 7.815 1.00 0.00 C ATOM 0 H ILE B 216 79.401 6.342 4.977 1.00 0.00 H new ATOM 0 HA ILE B 216 82.109 5.880 5.840 1.00 0.00 H new ATOM 0 HB ILE B 216 79.583 4.473 6.882 1.00 0.00 H new ATOM 0 HG12 ILE B 216 79.060 6.918 6.787 1.00 0.00 H new ATOM 0 HG13 ILE B 216 79.191 6.400 8.456 1.00 0.00 H new ATOM 0 HG21 ILE B 216 80.770 4.466 9.134 1.00 0.00 H new ATOM 0 HG22 ILE B 216 81.687 3.568 7.901 1.00 0.00 H new ATOM 0 HG23 ILE B 216 82.195 5.208 8.369 1.00 0.00 H new ATOM 0 HD11 ILE B 216 80.269 8.605 8.136 1.00 0.00 H new ATOM 0 HD12 ILE B 216 81.484 7.389 8.597 1.00 0.00 H new ATOM 0 HD13 ILE B 216 81.350 7.915 6.902 1.00 0.00 H new ATOM 727 N TYR B 217 80.517 3.270 4.465 1.00 0.00 N ATOM 728 CA TYR B 217 80.621 1.867 3.880 1.00 0.00 C ATOM 729 C TYR B 217 81.633 1.782 2.691 1.00 0.00 C ATOM 730 O TYR B 217 82.293 0.765 2.526 1.00 0.00 O ATOM 731 CB TYR B 217 79.171 1.385 3.432 1.00 0.00 C ATOM 732 CG TYR B 217 78.020 1.490 4.537 1.00 0.00 C ATOM 733 CD1 TYR B 217 78.260 1.712 5.944 1.00 0.00 C ATOM 734 CD2 TYR B 217 76.649 1.337 4.118 1.00 0.00 C ATOM 735 CE1 TYR B 217 77.175 1.776 6.853 1.00 0.00 C ATOM 736 CE2 TYR B 217 75.593 1.408 5.055 1.00 0.00 C ATOM 737 CZ TYR B 217 75.861 1.626 6.407 1.00 0.00 C ATOM 738 OH TYR B 217 74.815 1.691 7.313 1.00 0.00 O ATOM 0 H TYR B 217 79.595 3.689 4.346 1.00 0.00 H new ATOM 0 HA TYR B 217 81.011 1.205 4.653 1.00 0.00 H new ATOM 0 HB2 TYR B 217 78.868 1.971 2.565 1.00 0.00 H new ATOM 0 HB3 TYR B 217 79.240 0.347 3.107 1.00 0.00 H new ATOM 0 HD1 TYR B 217 79.271 1.830 6.305 1.00 0.00 H new ATOM 0 HD2 TYR B 217 76.426 1.166 3.075 1.00 0.00 H new ATOM 0 HE1 TYR B 217 77.367 1.943 7.903 1.00 0.00 H new ATOM 0 HE2 TYR B 217 74.572 1.293 4.722 1.00 0.00 H new ATOM 0 HH TYR B 217 73.965 1.568 6.841 1.00 0.00 H new ATOM 748 N VAL B 218 81.726 2.854 1.853 1.00 0.00 N ATOM 749 CA VAL B 218 82.665 2.865 0.630 1.00 0.00 C ATOM 750 C VAL B 218 84.141 2.608 1.072 1.00 0.00 C ATOM 751 O VAL B 218 84.890 1.910 0.398 1.00 0.00 O ATOM 752 CB VAL B 218 82.552 4.268 -0.159 1.00 0.00 C ATOM 753 CG1 VAL B 218 83.474 4.296 -1.481 1.00 0.00 C ATOM 754 CG2 VAL B 218 81.033 4.564 -0.565 1.00 0.00 C ATOM 0 H VAL B 218 81.189 3.713 1.973 1.00 0.00 H new ATOM 0 HA VAL B 218 82.360 2.064 -0.044 1.00 0.00 H new ATOM 0 HB VAL B 218 82.909 5.042 0.520 1.00 0.00 H new ATOM 0 HG11 VAL B 218 83.366 5.259 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL B 218 84.517 4.148 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL B 218 83.164 3.500 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL B 218 80.977 5.514 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL B 218 80.667 3.766 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL B 218 80.419 4.614 0.334 1.00 0.00 H new ATOM 764 N THR B 219 84.533 3.242 2.197 1.00 0.00 N ATOM 765 CA THR B 219 85.950 3.163 2.762 1.00 0.00 C ATOM 766 C THR B 219 86.293 1.726 3.217 1.00 0.00 C ATOM 767 O THR B 219 87.345 1.194 2.894 1.00 0.00 O ATOM 768 CB THR B 219 86.118 4.176 3.986 1.00 0.00 C ATOM 769 OG1 THR B 219 85.520 3.619 5.159 1.00 0.00 O ATOM 770 CG2 THR B 219 85.424 5.564 3.721 1.00 0.00 C ATOM 0 H THR B 219 83.906 3.823 2.753 1.00 0.00 H new ATOM 0 HA THR B 219 86.641 3.444 1.967 1.00 0.00 H new ATOM 0 HB THR B 219 87.189 4.334 4.113 1.00 0.00 H new ATOM 0 HG1 THR B 219 84.545 3.611 5.057 1.00 0.00 H new ATOM 0 HG21 THR B 219 85.569 6.214 4.584 1.00 0.00 H new ATOM 0 HG22 THR B 219 85.865 6.029 2.839 1.00 0.00 H new ATOM 0 HG23 THR B 219 84.357 5.412 3.556 1.00 0.00 H new ATOM 778 N VAL B 220 85.363 1.123 3.989 1.00 0.00 N ATOM 779 CA VAL B 220 85.517 -0.285 4.546 1.00 0.00 C ATOM 780 C VAL B 220 85.396 -1.319 3.394 1.00 0.00 C ATOM 781 O VAL B 220 86.033 -2.362 3.434 1.00 0.00 O ATOM 782 CB VAL B 220 84.412 -0.529 5.690 1.00 0.00 C ATOM 783 CG1 VAL B 220 84.566 -1.977 6.372 1.00 0.00 C ATOM 784 CG2 VAL B 220 84.515 0.617 6.812 1.00 0.00 C ATOM 0 H VAL B 220 84.486 1.572 4.255 1.00 0.00 H new ATOM 0 HA VAL B 220 86.502 -0.407 4.997 1.00 0.00 H new ATOM 0 HB VAL B 220 83.432 -0.488 5.214 1.00 0.00 H new ATOM 0 HG11 VAL B 220 83.801 -2.101 7.139 1.00 0.00 H new ATOM 0 HG12 VAL B 220 84.449 -2.751 5.613 1.00 0.00 H new ATOM 0 HG13 VAL B 220 85.553 -2.062 6.827 1.00 0.00 H new ATOM 0 HG21 VAL B 220 83.763 0.442 7.581 1.00 0.00 H new ATOM 0 HG22 VAL B 220 85.507 0.596 7.263 1.00 0.00 H new ATOM 0 HG23 VAL B 220 84.345 1.591 6.354 1.00 0.00 H new ATOM 794 N ALA B 221 84.541 -1.008 2.379 1.00 0.00 N ATOM 795 CA ALA B 221 84.294 -1.929 1.191 1.00 0.00 C ATOM 796 C ALA B 221 85.576 -2.105 0.328 1.00 0.00 C ATOM 797 O ALA B 221 85.799 -3.164 -0.248 1.00 0.00 O ATOM 798 CB ALA B 221 83.114 -1.347 0.325 1.00 0.00 C ATOM 0 H ALA B 221 84.008 -0.139 2.343 1.00 0.00 H new ATOM 0 HA ALA B 221 84.022 -2.917 1.564 1.00 0.00 H new ATOM 0 HB1 ALA B 221 82.931 -2.001 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA B 221 82.212 -1.284 0.934 1.00 0.00 H new ATOM 0 HB3 ALA B 221 83.381 -0.352 -0.032 1.00 0.00 H new ATOM 804 N ALA B 222 86.385 -1.024 0.217 1.00 0.00 N ATOM 805 CA ALA B 222 87.653 -1.026 -0.622 1.00 0.00 C ATOM 806 C ALA B 222 88.774 -1.902 0.009 1.00 0.00 C ATOM 807 O ALA B 222 89.445 -2.655 -0.689 1.00 0.00 O ATOM 808 CB ALA B 222 88.128 0.465 -0.799 1.00 0.00 C ATOM 0 H ALA B 222 86.202 -0.137 0.686 1.00 0.00 H new ATOM 0 HA ALA B 222 87.437 -1.469 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA B 222 89.038 0.488 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA B 222 87.348 1.038 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA B 222 88.327 0.902 0.179 1.00 0.00 H new ATOM 814 N VAL B 223 88.996 -1.737 1.334 1.00 0.00 N ATOM 815 CA VAL B 223 90.101 -2.469 2.092 1.00 0.00 C ATOM 816 C VAL B 223 89.820 -3.997 2.192 1.00 0.00 C ATOM 817 O VAL B 223 90.738 -4.796 2.021 1.00 0.00 O ATOM 818 CB VAL B 223 90.287 -1.785 3.535 1.00 0.00 C ATOM 819 CG1 VAL B 223 91.460 -2.480 4.390 1.00 0.00 C ATOM 820 CG2 VAL B 223 90.595 -0.215 3.369 1.00 0.00 C ATOM 0 H VAL B 223 88.441 -1.113 1.920 1.00 0.00 H new ATOM 0 HA VAL B 223 91.036 -2.378 1.540 1.00 0.00 H new ATOM 0 HB VAL B 223 89.353 -1.923 4.080 1.00 0.00 H new ATOM 0 HG11 VAL B 223 91.548 -1.984 5.357 1.00 0.00 H new ATOM 0 HG12 VAL B 223 91.224 -3.533 4.543 1.00 0.00 H new ATOM 0 HG13 VAL B 223 92.403 -2.394 3.851 1.00 0.00 H new ATOM 0 HG21 VAL B 223 90.719 0.237 4.353 1.00 0.00 H new ATOM 0 HG22 VAL B 223 91.510 -0.083 2.791 1.00 0.00 H new ATOM 0 HG23 VAL B 223 89.765 0.266 2.851 1.00 0.00 H new ATOM 830 N VAL B 224 88.553 -4.404 2.503 1.00 0.00 N ATOM 831 CA VAL B 224 88.200 -5.885 2.656 1.00 0.00 C ATOM 832 C VAL B 224 88.303 -6.618 1.291 1.00 0.00 C ATOM 833 O VAL B 224 88.638 -7.785 1.245 1.00 0.00 O ATOM 834 CB VAL B 224 86.746 -6.029 3.320 1.00 0.00 C ATOM 835 CG1 VAL B 224 85.606 -5.485 2.347 1.00 0.00 C ATOM 836 CG2 VAL B 224 86.437 -7.543 3.755 1.00 0.00 C ATOM 0 H VAL B 224 87.771 -3.767 2.652 1.00 0.00 H new ATOM 0 HA VAL B 224 88.918 -6.364 3.322 1.00 0.00 H new ATOM 0 HB VAL B 224 86.748 -5.416 4.221 1.00 0.00 H new ATOM 0 HG11 VAL B 224 84.634 -5.597 2.827 1.00 0.00 H new ATOM 0 HG12 VAL B 224 85.784 -4.432 2.131 1.00 0.00 H new ATOM 0 HG13 VAL B 224 85.619 -6.054 1.417 1.00 0.00 H new ATOM 0 HG21 VAL B 224 85.444 -7.598 4.200 1.00 0.00 H new ATOM 0 HG22 VAL B 224 86.478 -8.189 2.878 1.00 0.00 H new ATOM 0 HG23 VAL B 224 87.179 -7.871 4.483 1.00 0.00 H new ATOM 846 N LEU B 225 87.987 -5.891 0.173 1.00 0.00 N ATOM 847 CA LEU B 225 88.012 -6.483 -1.238 1.00 0.00 C ATOM 848 C LEU B 225 89.427 -7.036 -1.597 1.00 0.00 C ATOM 849 O LEU B 225 89.546 -8.107 -2.182 1.00 0.00 O ATOM 850 CB LEU B 225 87.509 -5.375 -2.251 1.00 0.00 C ATOM 851 CG LEU B 225 87.458 -5.827 -3.807 1.00 0.00 C ATOM 852 CD1 LEU B 225 86.590 -7.135 -4.036 1.00 0.00 C ATOM 853 CD2 LEU B 225 86.909 -4.627 -4.713 1.00 0.00 C ATOM 0 H LEU B 225 87.714 -4.909 0.203 1.00 0.00 H new ATOM 0 HA LEU B 225 87.342 -7.340 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU B 225 86.511 -5.058 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU B 225 88.160 -4.505 -2.164 1.00 0.00 H new ATOM 0 HG LEU B 225 88.478 -6.069 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU B 225 86.591 -7.391 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU B 225 87.015 -7.959 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU B 225 85.567 -6.955 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU B 225 86.879 -4.943 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU B 225 85.905 -4.355 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU B 225 87.568 -3.765 -4.613 1.00 0.00 H new ATOM 865 N ILE B 226 90.497 -6.286 -1.210 1.00 0.00 N ATOM 866 CA ILE B 226 91.945 -6.712 -1.461 1.00 0.00 C ATOM 867 C ILE B 226 92.276 -7.983 -0.605 1.00 0.00 C ATOM 868 O ILE B 226 92.762 -8.973 -1.100 1.00 0.00 O ATOM 869 CB ILE B 226 92.910 -5.491 -1.075 1.00 0.00 C ATOM 870 CG1 ILE B 226 92.541 -4.170 -1.939 1.00 0.00 C ATOM 871 CG2 ILE B 226 94.463 -5.852 -1.258 1.00 0.00 C ATOM 872 CD1 ILE B 226 92.731 -4.312 -3.486 1.00 0.00 C ATOM 0 H ILE B 226 90.409 -5.392 -0.728 1.00 0.00 H new ATOM 0 HA ILE B 226 92.092 -6.965 -2.511 1.00 0.00 H new ATOM 0 HB ILE B 226 92.745 -5.287 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE B 226 91.503 -3.903 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE B 226 93.157 -3.342 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE B 226 95.072 -4.991 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE B 226 94.718 -6.696 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE B 226 94.655 -6.115 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE B 226 92.458 -3.376 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE B 226 93.773 -4.545 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE B 226 92.094 -5.114 -3.859 1.00 0.00 H new ATOM 884 N VAL B 227 92.029 -7.855 0.704 1.00 0.00 N ATOM 885 CA VAL B 227 92.307 -8.907 1.770 1.00 0.00 C ATOM 886 C VAL B 227 91.440 -10.191 1.608 1.00 0.00 C ATOM 887 O VAL B 227 91.880 -11.271 1.993 1.00 0.00 O ATOM 888 CB VAL B 227 92.142 -8.221 3.213 1.00 0.00 C ATOM 889 CG1 VAL B 227 92.430 -9.248 4.417 1.00 0.00 C ATOM 890 CG2 VAL B 227 93.129 -6.953 3.336 1.00 0.00 C ATOM 0 H VAL B 227 91.619 -7.006 1.093 1.00 0.00 H new ATOM 0 HA VAL B 227 93.331 -9.264 1.655 1.00 0.00 H new ATOM 0 HB VAL B 227 91.105 -7.898 3.298 1.00 0.00 H new ATOM 0 HG11 VAL B 227 92.305 -8.735 5.371 1.00 0.00 H new ATOM 0 HG12 VAL B 227 91.730 -10.082 4.359 1.00 0.00 H new ATOM 0 HG13 VAL B 227 93.450 -9.624 4.338 1.00 0.00 H new ATOM 0 HG21 VAL B 227 93.011 -6.494 4.317 1.00 0.00 H new ATOM 0 HG22 VAL B 227 94.161 -7.282 3.211 1.00 0.00 H new ATOM 0 HG23 VAL B 227 92.884 -6.225 2.563 1.00 0.00 H new ATOM 900 N ALA B 228 90.168 -10.049 1.162 1.00 0.00 N ATOM 901 CA ALA B 228 89.184 -11.218 1.100 1.00 0.00 C ATOM 902 C ALA B 228 89.687 -12.413 0.228 1.00 0.00 C ATOM 903 O ALA B 228 89.399 -13.554 0.561 1.00 0.00 O ATOM 904 CB ALA B 228 87.796 -10.703 0.548 1.00 0.00 C ATOM 0 H ALA B 228 89.780 -9.163 0.839 1.00 0.00 H new ATOM 0 HA ALA B 228 89.082 -11.600 2.116 1.00 0.00 H new ATOM 0 HB1 ALA B 228 87.092 -11.534 0.502 1.00 0.00 H new ATOM 0 HB2 ALA B 228 87.404 -9.931 1.211 1.00 0.00 H new ATOM 0 HB3 ALA B 228 87.933 -10.288 -0.451 1.00 0.00 H new ATOM 910 N VAL B 229 90.412 -12.152 -0.886 1.00 0.00 N ATOM 911 CA VAL B 229 90.922 -13.276 -1.797 1.00 0.00 C ATOM 912 C VAL B 229 92.091 -14.065 -1.130 1.00 0.00 C ATOM 913 O VAL B 229 92.157 -15.281 -1.244 1.00 0.00 O ATOM 914 CB VAL B 229 91.312 -12.714 -3.259 1.00 0.00 C ATOM 915 CG1 VAL B 229 90.107 -11.832 -3.844 1.00 0.00 C ATOM 916 CG2 VAL B 229 92.668 -11.860 -3.246 1.00 0.00 C ATOM 0 H VAL B 229 90.666 -11.213 -1.193 1.00 0.00 H new ATOM 0 HA VAL B 229 90.108 -13.987 -1.940 1.00 0.00 H new ATOM 0 HB VAL B 229 91.484 -13.576 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL B 229 90.377 -11.456 -4.831 1.00 0.00 H new ATOM 0 HG12 VAL B 229 89.211 -12.447 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL B 229 89.913 -10.992 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL B 229 92.885 -11.506 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL B 229 92.554 -11.006 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL B 229 93.489 -12.486 -2.897 1.00 0.00 H new ATOM 926 N PHE B 230 93.044 -13.342 -0.464 1.00 0.00 N ATOM 927 CA PHE B 230 94.266 -14.000 0.182 1.00 0.00 C ATOM 928 C PHE B 230 93.870 -14.944 1.361 1.00 0.00 C ATOM 929 O PHE B 230 94.431 -16.032 1.483 1.00 0.00 O ATOM 930 CB PHE B 230 95.284 -12.882 0.667 1.00 0.00 C ATOM 931 CG PHE B 230 95.910 -12.102 -0.573 1.00 0.00 C ATOM 932 CD1 PHE B 230 96.845 -12.767 -1.434 1.00 0.00 C ATOM 933 CD2 PHE B 230 95.565 -10.744 -0.871 1.00 0.00 C ATOM 934 CE1 PHE B 230 97.407 -12.094 -2.545 1.00 0.00 C ATOM 935 CE2 PHE B 230 96.137 -10.084 -1.985 1.00 0.00 C ATOM 936 CZ PHE B 230 97.052 -10.757 -2.819 1.00 0.00 C ATOM 0 H PHE B 230 93.009 -12.329 -0.352 1.00 0.00 H new ATOM 0 HA PHE B 230 94.750 -14.623 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE B 230 94.771 -12.178 1.322 1.00 0.00 H new ATOM 0 HB3 PHE B 230 96.081 -13.340 1.253 1.00 0.00 H new ATOM 0 HD1 PHE B 230 97.123 -13.791 -1.233 1.00 0.00 H new ATOM 0 HD2 PHE B 230 94.863 -10.219 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE B 230 98.110 -12.606 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE B 230 95.871 -9.059 -2.197 1.00 0.00 H new ATOM 0 HZ PHE B 230 97.482 -10.248 -3.669 1.00 0.00 H new ATOM 946 N VAL B 231 92.913 -14.520 2.236 1.00 0.00 N ATOM 947 CA VAL B 231 92.478 -15.385 3.427 1.00 0.00 C ATOM 948 C VAL B 231 91.711 -16.661 2.938 1.00 0.00 C ATOM 949 O VAL B 231 91.851 -17.724 3.522 1.00 0.00 O ATOM 950 CB VAL B 231 91.618 -14.505 4.460 1.00 0.00 C ATOM 951 CG1 VAL B 231 92.504 -13.284 5.018 1.00 0.00 C ATOM 952 CG2 VAL B 231 90.295 -13.950 3.764 1.00 0.00 C ATOM 0 H VAL B 231 92.431 -13.624 2.165 1.00 0.00 H new ATOM 0 HA VAL B 231 93.362 -15.739 3.958 1.00 0.00 H new ATOM 0 HB VAL B 231 91.326 -15.142 5.295 1.00 0.00 H new ATOM 0 HG11 VAL B 231 91.911 -12.694 5.717 1.00 0.00 H new ATOM 0 HG12 VAL B 231 93.383 -13.676 5.529 1.00 0.00 H new ATOM 0 HG13 VAL B 231 92.818 -12.653 4.187 1.00 0.00 H new ATOM 0 HG21 VAL B 231 89.728 -13.357 4.481 1.00 0.00 H new ATOM 0 HG22 VAL B 231 90.566 -13.327 2.912 1.00 0.00 H new ATOM 0 HG23 VAL B 231 89.685 -14.786 3.422 1.00 0.00 H new ATOM 962 N CYS B 232 90.887 -16.517 1.856 1.00 0.00 N ATOM 963 CA CYS B 232 90.073 -17.674 1.274 1.00 0.00 C ATOM 964 C CYS B 232 91.001 -18.751 0.620 1.00 0.00 C ATOM 965 O CYS B 232 90.839 -19.939 0.860 1.00 0.00 O ATOM 966 CB CYS B 232 89.042 -17.106 0.225 1.00 0.00 C ATOM 967 SG CYS B 232 87.814 -16.043 1.050 1.00 0.00 S ATOM 0 H CYS B 232 90.758 -15.633 1.364 1.00 0.00 H new ATOM 0 HA CYS B 232 89.531 -18.166 2.082 1.00 0.00 H new ATOM 0 HB2 CYS B 232 89.569 -16.536 -0.540 1.00 0.00 H new ATOM 0 HB3 CYS B 232 88.538 -17.929 -0.281 1.00 0.00 H new ATOM 0 HG CYS B 232 88.266 -14.826 1.112 1.00 0.00 H new ATOM 973 N LYS B 233 91.961 -18.295 -0.229 1.00 0.00 N ATOM 974 CA LYS B 233 92.937 -19.213 -0.975 1.00 0.00 C ATOM 975 C LYS B 233 93.852 -19.990 0.012 1.00 0.00 C ATOM 976 O LYS B 233 94.290 -21.093 -0.291 1.00 0.00 O ATOM 977 CB LYS B 233 93.785 -18.338 -2.002 1.00 0.00 C ATOM 978 CG LYS B 233 92.905 -17.833 -3.247 1.00 0.00 C ATOM 979 CD LYS B 233 93.750 -16.898 -4.234 1.00 0.00 C ATOM 980 CE LYS B 233 92.905 -16.417 -5.475 1.00 0.00 C ATOM 981 NZ LYS B 233 93.758 -15.546 -6.333 1.00 0.00 N ATOM 0 H LYS B 233 92.100 -17.305 -0.430 1.00 0.00 H new ATOM 0 HA LYS B 233 92.375 -19.965 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS B 233 94.203 -17.476 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS B 233 94.625 -18.927 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS B 233 92.527 -18.694 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS B 233 92.038 -17.284 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS B 233 94.112 -16.029 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS B 233 94.627 -17.442 -4.584 1.00 0.00 H new ATOM 0 HE2 LYS B 233 92.550 -17.276 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS B 233 92.023 -15.870 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 93.209 -15.224 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 94.076 -14.722 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 94.586 -16.084 -6.660 1.00 0.00 H new ATOM 995 N SER B 234 94.120 -19.403 1.200 1.00 0.00 N ATOM 996 CA SER B 234 94.994 -20.057 2.264 1.00 0.00 C ATOM 997 C SER B 234 94.343 -21.375 2.785 1.00 0.00 C ATOM 998 O SER B 234 95.023 -22.225 3.329 1.00 0.00 O ATOM 999 CB SER B 234 95.217 -19.031 3.424 1.00 0.00 C ATOM 1000 OG SER B 234 95.870 -17.884 2.895 1.00 0.00 O ATOM 0 H SER B 234 93.759 -18.487 1.468 1.00 0.00 H new ATOM 0 HA SER B 234 95.958 -20.329 1.835 1.00 0.00 H new ATOM 0 HB2 SER B 234 94.263 -18.751 3.870 1.00 0.00 H new ATOM 0 HB3 SER B 234 95.819 -19.479 4.214 1.00 0.00 H new ATOM 0 HG SER B 234 95.206 -17.288 2.489 1.00 0.00 H new ATOM 1006 N LEU B 235 93.004 -21.498 2.599 1.00 0.00 N ATOM 1007 CA LEU B 235 92.183 -22.709 3.041 1.00 0.00 C ATOM 1008 C LEU B 235 92.093 -23.771 1.898 1.00 0.00 C ATOM 1009 O LEU B 235 91.954 -24.953 2.174 1.00 0.00 O ATOM 1010 CB LEU B 235 90.726 -22.219 3.469 1.00 0.00 C ATOM 1011 CG LEU B 235 90.746 -21.044 4.580 1.00 0.00 C ATOM 1012 CD1 LEU B 235 89.275 -20.504 4.867 1.00 0.00 C ATOM 1013 CD2 LEU B 235 91.439 -21.515 5.939 1.00 0.00 C ATOM 0 H LEU B 235 92.444 -20.778 2.143 1.00 0.00 H new ATOM 0 HA LEU B 235 92.673 -23.184 3.891 1.00 0.00 H new ATOM 0 HB2 LEU B 235 90.195 -21.865 2.585 1.00 0.00 H new ATOM 0 HB3 LEU B 235 90.165 -23.068 3.859 1.00 0.00 H new ATOM 0 HG LEU B 235 91.344 -20.230 4.170 1.00 0.00 H new ATOM 0 HD11 LEU B 235 89.317 -19.715 5.618 1.00 0.00 H new ATOM 0 HD12 LEU B 235 88.847 -20.107 3.946 1.00 0.00 H new ATOM 0 HD13 LEU B 235 88.653 -21.320 5.234 1.00 0.00 H new ATOM 0 HD21 LEU B 235 91.430 -20.694 6.656 1.00 0.00 H new ATOM 0 HD22 LEU B 235 90.892 -22.363 6.351 1.00 0.00 H new ATOM 0 HD23 LEU B 235 92.469 -21.810 5.739 1.00 0.00 H new ATOM 1025 N LEU B 236 92.125 -23.319 0.611 1.00 0.00 N ATOM 1026 CA LEU B 236 91.986 -24.249 -0.601 1.00 0.00 C ATOM 1027 C LEU B 236 93.329 -24.975 -0.944 1.00 0.00 C ATOM 1028 O LEU B 236 93.297 -26.058 -1.512 1.00 0.00 O ATOM 1029 CB LEU B 236 91.469 -23.410 -1.854 1.00 0.00 C ATOM 1030 CG LEU B 236 90.095 -22.604 -1.569 1.00 0.00 C ATOM 1031 CD1 LEU B 236 89.692 -21.704 -2.824 1.00 0.00 C ATOM 1032 CD2 LEU B 236 88.891 -23.575 -1.178 1.00 0.00 C ATOM 0 H LEU B 236 92.243 -22.336 0.365 1.00 0.00 H new ATOM 0 HA LEU B 236 91.262 -25.024 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU B 236 92.242 -22.701 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU B 236 91.317 -24.086 -2.696 1.00 0.00 H new ATOM 0 HG LEU B 236 90.284 -21.956 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU B 236 88.765 -21.172 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU B 236 90.485 -20.984 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU B 236 89.550 -22.340 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU B 236 87.992 -22.985 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU B 236 88.708 -24.274 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU B 236 89.149 -24.130 -0.276 1.00 0.00 H new ATOM 1214 N LEU C 211 87.378 9.748 17.307 1.00 0.00 N ATOM 1215 CA LEU C 211 87.777 8.901 16.096 1.00 0.00 C ATOM 1216 C LEU C 211 87.959 9.784 14.838 1.00 0.00 C ATOM 1217 O LEU C 211 87.903 9.298 13.720 1.00 0.00 O ATOM 1218 CB LEU C 211 86.686 7.743 15.881 1.00 0.00 C ATOM 1219 CG LEU C 211 85.282 8.211 15.209 1.00 0.00 C ATOM 1220 CD1 LEU C 211 84.253 7.000 15.144 1.00 0.00 C ATOM 1221 CD2 LEU C 211 84.649 9.452 15.967 1.00 0.00 C ATOM 0 HA LEU C 211 88.742 8.429 16.279 1.00 0.00 H new ATOM 0 HB2 LEU C 211 87.126 6.967 15.255 1.00 0.00 H new ATOM 0 HB3 LEU C 211 86.471 7.288 16.848 1.00 0.00 H new ATOM 0 HG LEU C 211 85.500 8.531 14.190 1.00 0.00 H new ATOM 0 HD11 LEU C 211 83.321 7.338 14.690 1.00 0.00 H new ATOM 0 HD12 LEU C 211 84.677 6.194 14.545 1.00 0.00 H new ATOM 0 HD13 LEU C 211 84.055 6.637 16.152 1.00 0.00 H new ATOM 0 HD21 LEU C 211 83.712 9.733 15.486 1.00 0.00 H new ATOM 0 HD22 LEU C 211 84.458 9.185 17.006 1.00 0.00 H new ATOM 0 HD23 LEU C 211 85.342 10.293 15.930 1.00 0.00 H new ATOM 1233 N SER C 212 88.169 11.108 15.052 1.00 0.00 N ATOM 1234 CA SER C 212 88.358 12.117 13.929 1.00 0.00 C ATOM 1235 C SER C 212 89.681 11.864 13.167 1.00 0.00 C ATOM 1236 O SER C 212 89.824 12.259 12.024 1.00 0.00 O ATOM 1237 CB SER C 212 88.344 13.560 14.541 1.00 0.00 C ATOM 1238 OG SER C 212 89.467 13.713 15.403 1.00 0.00 O ATOM 0 H SER C 212 88.215 11.521 15.984 1.00 0.00 H new ATOM 0 HA SER C 212 87.544 12.011 13.212 1.00 0.00 H new ATOM 0 HB2 SER C 212 88.376 14.305 13.746 1.00 0.00 H new ATOM 0 HB3 SER C 212 87.420 13.724 15.095 1.00 0.00 H new ATOM 0 HG SER C 212 89.464 14.615 15.787 1.00 0.00 H new ATOM 1244 N GLY C 213 90.652 11.225 13.847 1.00 0.00 N ATOM 1245 CA GLY C 213 92.004 10.906 13.240 1.00 0.00 C ATOM 1246 C GLY C 213 91.945 9.725 12.251 1.00 0.00 C ATOM 1247 O GLY C 213 92.457 9.811 11.139 1.00 0.00 O ATOM 0 H GLY C 213 90.548 10.912 14.812 1.00 0.00 H new ATOM 0 HA2 GLY C 213 92.384 11.788 12.725 1.00 0.00 H new ATOM 0 HA3 GLY C 213 92.710 10.673 14.037 1.00 0.00 H new ATOM 1251 N ILE C 214 91.344 8.586 12.702 1.00 0.00 N ATOM 1252 CA ILE C 214 91.245 7.308 11.868 1.00 0.00 C ATOM 1253 C ILE C 214 90.327 7.483 10.622 1.00 0.00 C ATOM 1254 O ILE C 214 90.600 6.894 9.581 1.00 0.00 O ATOM 1255 CB ILE C 214 90.792 6.080 12.800 1.00 0.00 C ATOM 1256 CG1 ILE C 214 90.729 4.667 12.000 1.00 0.00 C ATOM 1257 CG2 ILE C 214 89.390 6.384 13.496 1.00 0.00 C ATOM 1258 CD1 ILE C 214 92.078 4.236 11.348 1.00 0.00 C ATOM 0 H ILE C 214 90.919 8.507 13.626 1.00 0.00 H new ATOM 0 HA ILE C 214 92.234 7.083 11.469 1.00 0.00 H new ATOM 0 HB ILE C 214 91.559 5.977 13.567 1.00 0.00 H new ATOM 0 HG12 ILE C 214 90.407 3.887 12.690 1.00 0.00 H new ATOM 0 HG13 ILE C 214 89.969 4.738 11.222 1.00 0.00 H new ATOM 0 HG21 ILE C 214 89.104 5.539 14.122 1.00 0.00 H new ATOM 0 HG22 ILE C 214 89.476 7.279 14.112 1.00 0.00 H new ATOM 0 HG23 ILE C 214 88.630 6.542 12.730 1.00 0.00 H new ATOM 0 HD11 ILE C 214 91.946 3.283 10.835 1.00 0.00 H new ATOM 0 HD12 ILE C 214 92.394 4.994 10.631 1.00 0.00 H new ATOM 0 HD13 ILE C 214 92.838 4.130 12.122 1.00 0.00 H new ATOM 1270 N ILE C 215 89.204 8.260 10.747 1.00 0.00 N ATOM 1271 CA ILE C 215 88.207 8.448 9.584 1.00 0.00 C ATOM 1272 C ILE C 215 88.902 9.157 8.372 1.00 0.00 C ATOM 1273 O ILE C 215 88.637 8.840 7.226 1.00 0.00 O ATOM 1274 CB ILE C 215 86.877 9.202 10.119 1.00 0.00 C ATOM 1275 CG1 ILE C 215 85.567 8.892 9.209 1.00 0.00 C ATOM 1276 CG2 ILE C 215 87.082 10.776 10.288 1.00 0.00 C ATOM 1277 CD1 ILE C 215 85.688 9.314 7.716 1.00 0.00 C ATOM 0 H ILE C 215 88.952 8.759 11.600 1.00 0.00 H new ATOM 0 HA ILE C 215 87.880 7.479 9.206 1.00 0.00 H new ATOM 0 HB ILE C 215 86.696 8.785 11.110 1.00 0.00 H new ATOM 0 HG12 ILE C 215 85.357 7.823 9.253 1.00 0.00 H new ATOM 0 HG13 ILE C 215 84.710 9.403 9.647 1.00 0.00 H new ATOM 0 HG21 ILE C 215 86.157 11.227 10.649 1.00 0.00 H new ATOM 0 HG22 ILE C 215 87.881 10.964 11.005 1.00 0.00 H new ATOM 0 HG23 ILE C 215 87.347 11.214 9.326 1.00 0.00 H new ATOM 0 HD11 ILE C 215 84.765 9.066 7.192 1.00 0.00 H new ATOM 0 HD12 ILE C 215 85.863 10.388 7.655 1.00 0.00 H new ATOM 0 HD13 ILE C 215 86.521 8.784 7.254 1.00 0.00 H new ATOM 1289 N ILE C 216 89.814 10.126 8.657 1.00 0.00 N ATOM 1290 CA ILE C 216 90.591 10.869 7.566 1.00 0.00 C ATOM 1291 C ILE C 216 91.630 9.895 6.903 1.00 0.00 C ATOM 1292 O ILE C 216 91.779 9.851 5.689 1.00 0.00 O ATOM 1293 CB ILE C 216 91.287 12.168 8.212 1.00 0.00 C ATOM 1294 CG1 ILE C 216 90.150 13.150 8.830 1.00 0.00 C ATOM 1295 CG2 ILE C 216 92.187 12.963 7.140 1.00 0.00 C ATOM 1296 CD1 ILE C 216 90.737 14.321 9.676 1.00 0.00 C ATOM 0 H ILE C 216 90.043 10.423 9.606 1.00 0.00 H new ATOM 0 HA ILE C 216 89.921 11.209 6.776 1.00 0.00 H new ATOM 0 HB ILE C 216 91.951 11.831 9.008 1.00 0.00 H new ATOM 0 HG12 ILE C 216 89.555 13.563 8.015 1.00 0.00 H new ATOM 0 HG13 ILE C 216 89.474 12.564 9.453 1.00 0.00 H new ATOM 0 HG21 ILE C 216 92.638 13.833 7.618 1.00 0.00 H new ATOM 0 HG22 ILE C 216 92.972 12.306 6.766 1.00 0.00 H new ATOM 0 HG23 ILE C 216 91.561 13.289 6.310 1.00 0.00 H new ATOM 0 HD11 ILE C 216 89.923 14.937 10.058 1.00 0.00 H new ATOM 0 HD12 ILE C 216 91.308 13.916 10.511 1.00 0.00 H new ATOM 0 HD13 ILE C 216 91.390 14.930 9.051 1.00 0.00 H new ATOM 1308 N TYR C 217 92.389 9.191 7.771 1.00 0.00 N ATOM 1309 CA TYR C 217 93.527 8.252 7.365 1.00 0.00 C ATOM 1310 C TYR C 217 93.092 6.959 6.594 1.00 0.00 C ATOM 1311 O TYR C 217 93.820 6.517 5.709 1.00 0.00 O ATOM 1312 CB TYR C 217 94.334 7.878 8.677 1.00 0.00 C ATOM 1313 CG TYR C 217 95.674 7.079 8.359 1.00 0.00 C ATOM 1314 CD1 TYR C 217 95.754 5.653 8.505 1.00 0.00 C ATOM 1315 CD2 TYR C 217 96.836 7.778 7.900 1.00 0.00 C ATOM 1316 CE1 TYR C 217 96.958 4.973 8.204 1.00 0.00 C ATOM 1317 CE2 TYR C 217 98.025 7.071 7.607 1.00 0.00 C ATOM 1318 CZ TYR C 217 98.078 5.682 7.760 1.00 0.00 C ATOM 1319 OH TYR C 217 99.249 5.004 7.469 1.00 0.00 O ATOM 0 H TYR C 217 92.252 9.238 8.781 1.00 0.00 H new ATOM 0 HA TYR C 217 94.142 8.789 6.643 1.00 0.00 H new ATOM 0 HB2 TYR C 217 94.579 8.790 9.222 1.00 0.00 H new ATOM 0 HB3 TYR C 217 93.702 7.276 9.330 1.00 0.00 H new ATOM 0 HD1 TYR C 217 94.893 5.098 8.846 1.00 0.00 H new ATOM 0 HD2 TYR C 217 96.804 8.850 7.777 1.00 0.00 H new ATOM 0 HE1 TYR C 217 97.012 3.900 8.318 1.00 0.00 H new ATOM 0 HE2 TYR C 217 98.897 7.607 7.263 1.00 0.00 H new ATOM 0 HH TYR C 217 99.931 5.642 7.172 1.00 0.00 H new ATOM 1329 N VAL C 218 91.952 6.308 6.977 1.00 0.00 N ATOM 1330 CA VAL C 218 91.510 4.982 6.321 1.00 0.00 C ATOM 1331 C VAL C 218 91.324 5.129 4.777 1.00 0.00 C ATOM 1332 O VAL C 218 91.669 4.227 4.020 1.00 0.00 O ATOM 1333 CB VAL C 218 90.194 4.427 7.055 1.00 0.00 C ATOM 1334 CG1 VAL C 218 88.990 5.460 6.932 1.00 0.00 C ATOM 1335 CG2 VAL C 218 89.763 2.979 6.503 1.00 0.00 C ATOM 0 H VAL C 218 91.325 6.644 7.708 1.00 0.00 H new ATOM 0 HA VAL C 218 92.302 4.245 6.450 1.00 0.00 H new ATOM 0 HB VAL C 218 90.441 4.313 8.111 1.00 0.00 H new ATOM 0 HG11 VAL C 218 88.112 5.058 7.438 1.00 0.00 H new ATOM 0 HG12 VAL C 218 89.273 6.406 7.394 1.00 0.00 H new ATOM 0 HG13 VAL C 218 88.758 5.625 5.880 1.00 0.00 H new ATOM 0 HG21 VAL C 218 88.869 2.641 7.027 1.00 0.00 H new ATOM 0 HG22 VAL C 218 89.555 3.044 5.435 1.00 0.00 H new ATOM 0 HG23 VAL C 218 90.573 2.269 6.673 1.00 0.00 H new ATOM 1345 N THR C 219 90.766 6.283 4.337 1.00 0.00 N ATOM 1346 CA THR C 219 90.511 6.587 2.859 1.00 0.00 C ATOM 1347 C THR C 219 91.843 6.661 2.077 1.00 0.00 C ATOM 1348 O THR C 219 91.982 6.096 1.001 1.00 0.00 O ATOM 1349 CB THR C 219 89.725 7.965 2.699 1.00 0.00 C ATOM 1350 OG1 THR C 219 90.613 9.052 2.973 1.00 0.00 O ATOM 1351 CG2 THR C 219 88.517 8.075 3.697 1.00 0.00 C ATOM 0 H THR C 219 90.475 7.034 4.963 1.00 0.00 H new ATOM 0 HA THR C 219 89.905 5.778 2.451 1.00 0.00 H new ATOM 0 HB THR C 219 89.345 8.003 1.678 1.00 0.00 H new ATOM 0 HG1 THR C 219 90.821 9.071 3.930 1.00 0.00 H new ATOM 0 HG21 THR C 219 88.011 9.030 3.552 1.00 0.00 H new ATOM 0 HG22 THR C 219 87.816 7.261 3.511 1.00 0.00 H new ATOM 0 HG23 THR C 219 88.884 8.011 4.721 1.00 0.00 H new ATOM 1359 N VAL C 220 92.816 7.399 2.665 1.00 0.00 N ATOM 1360 CA VAL C 220 94.193 7.607 2.058 1.00 0.00 C ATOM 1361 C VAL C 220 94.972 6.262 2.082 1.00 0.00 C ATOM 1362 O VAL C 220 95.542 5.854 1.085 1.00 0.00 O ATOM 1363 CB VAL C 220 94.959 8.764 2.873 1.00 0.00 C ATOM 1364 CG1 VAL C 220 96.403 9.082 2.243 1.00 0.00 C ATOM 1365 CG2 VAL C 220 94.066 10.101 2.905 1.00 0.00 C ATOM 0 H VAL C 220 92.691 7.869 3.562 1.00 0.00 H new ATOM 0 HA VAL C 220 94.113 7.926 1.019 1.00 0.00 H new ATOM 0 HB VAL C 220 95.113 8.405 3.890 1.00 0.00 H new ATOM 0 HG11 VAL C 220 96.887 9.868 2.822 1.00 0.00 H new ATOM 0 HG12 VAL C 220 97.017 8.182 2.268 1.00 0.00 H new ATOM 0 HG13 VAL C 220 96.285 9.412 1.211 1.00 0.00 H new ATOM 0 HG21 VAL C 220 94.593 10.878 3.459 1.00 0.00 H new ATOM 0 HG22 VAL C 220 93.885 10.442 1.886 1.00 0.00 H new ATOM 0 HG23 VAL C 220 93.114 9.891 3.392 1.00 0.00 H new ATOM 1375 N ALA C 221 94.961 5.585 3.259 1.00 0.00 N ATOM 1376 CA ALA C 221 95.676 4.257 3.471 1.00 0.00 C ATOM 1377 C ALA C 221 95.280 3.203 2.389 1.00 0.00 C ATOM 1378 O ALA C 221 96.097 2.382 1.991 1.00 0.00 O ATOM 1379 CB ALA C 221 95.352 3.727 4.917 1.00 0.00 C ATOM 0 H ALA C 221 94.470 5.920 4.088 1.00 0.00 H new ATOM 0 HA ALA C 221 96.749 4.419 3.371 1.00 0.00 H new ATOM 0 HB1 ALA C 221 95.860 2.776 5.078 1.00 0.00 H new ATOM 0 HB2 ALA C 221 95.695 4.451 5.655 1.00 0.00 H new ATOM 0 HB3 ALA C 221 94.276 3.586 5.020 1.00 0.00 H new ATOM 1385 N ALA C 222 93.993 3.250 1.940 1.00 0.00 N ATOM 1386 CA ALA C 222 93.444 2.286 0.897 1.00 0.00 C ATOM 1387 C ALA C 222 94.162 2.474 -0.476 1.00 0.00 C ATOM 1388 O ALA C 222 94.466 1.508 -1.159 1.00 0.00 O ATOM 1389 CB ALA C 222 91.894 2.518 0.768 1.00 0.00 C ATOM 0 H ALA C 222 93.310 3.932 2.270 1.00 0.00 H new ATOM 0 HA ALA C 222 93.632 1.260 1.212 1.00 0.00 H new ATOM 0 HB1 ALA C 222 91.484 1.835 0.024 1.00 0.00 H new ATOM 0 HB2 ALA C 222 91.417 2.334 1.731 1.00 0.00 H new ATOM 0 HB3 ALA C 222 91.704 3.546 0.460 1.00 0.00 H new ATOM 1395 N VAL C 223 94.417 3.755 -0.851 1.00 0.00 N ATOM 1396 CA VAL C 223 95.112 4.125 -2.162 1.00 0.00 C ATOM 1397 C VAL C 223 96.610 3.704 -2.091 1.00 0.00 C ATOM 1398 O VAL C 223 97.168 3.206 -3.059 1.00 0.00 O ATOM 1399 CB VAL C 223 94.932 5.699 -2.431 1.00 0.00 C ATOM 1400 CG1 VAL C 223 95.601 6.148 -3.820 1.00 0.00 C ATOM 1401 CG2 VAL C 223 93.371 6.085 -2.424 1.00 0.00 C ATOM 0 H VAL C 223 94.162 4.562 -0.282 1.00 0.00 H new ATOM 0 HA VAL C 223 94.662 3.593 -3.000 1.00 0.00 H new ATOM 0 HB VAL C 223 95.444 6.231 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL C 223 95.457 7.219 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL C 223 96.668 5.925 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL C 223 95.133 5.605 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL C 223 93.260 7.154 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL C 223 92.855 5.527 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL C 223 92.939 5.836 -1.455 1.00 0.00 H new ATOM 1411 N VAL C 224 97.236 3.925 -0.907 1.00 0.00 N ATOM 1412 CA VAL C 224 98.699 3.580 -0.641 1.00 0.00 C ATOM 1413 C VAL C 224 98.927 2.044 -0.796 1.00 0.00 C ATOM 1414 O VAL C 224 99.995 1.617 -1.201 1.00 0.00 O ATOM 1415 CB VAL C 224 99.088 4.123 0.818 1.00 0.00 C ATOM 1416 CG1 VAL C 224 100.550 3.664 1.296 1.00 0.00 C ATOM 1417 CG2 VAL C 224 98.989 5.730 0.855 1.00 0.00 C ATOM 0 H VAL C 224 96.766 4.342 -0.103 1.00 0.00 H new ATOM 0 HA VAL C 224 99.352 4.061 -1.369 1.00 0.00 H new ATOM 0 HB VAL C 224 98.372 3.682 1.512 1.00 0.00 H new ATOM 0 HG11 VAL C 224 100.750 4.065 2.290 1.00 0.00 H new ATOM 0 HG12 VAL C 224 100.598 2.575 1.327 1.00 0.00 H new ATOM 0 HG13 VAL C 224 101.296 4.040 0.596 1.00 0.00 H new ATOM 0 HG21 VAL C 224 99.255 6.088 1.850 1.00 0.00 H new ATOM 0 HG22 VAL C 224 99.675 6.154 0.121 1.00 0.00 H new ATOM 0 HG23 VAL C 224 97.970 6.037 0.619 1.00 0.00 H new ATOM 1427 N LEU C 225 97.898 1.235 -0.444 1.00 0.00 N ATOM 1428 CA LEU C 225 97.974 -0.295 -0.520 1.00 0.00 C ATOM 1429 C LEU C 225 98.219 -0.769 -1.999 1.00 0.00 C ATOM 1430 O LEU C 225 99.034 -1.641 -2.265 1.00 0.00 O ATOM 1431 CB LEU C 225 96.595 -0.905 0.049 1.00 0.00 C ATOM 1432 CG LEU C 225 96.671 -2.433 0.628 1.00 0.00 C ATOM 1433 CD1 LEU C 225 97.485 -3.416 -0.308 1.00 0.00 C ATOM 1434 CD2 LEU C 225 97.223 -2.487 2.124 1.00 0.00 C ATOM 0 H LEU C 225 97.002 1.585 -0.104 1.00 0.00 H new ATOM 0 HA LEU C 225 98.811 -0.650 0.081 1.00 0.00 H new ATOM 0 HB2 LEU C 225 96.234 -0.254 0.845 1.00 0.00 H new ATOM 0 HB3 LEU C 225 95.852 -0.876 -0.748 1.00 0.00 H new ATOM 0 HG LEU C 225 95.640 -2.787 0.638 1.00 0.00 H new ATOM 0 HD11 LEU C 225 97.497 -4.412 0.134 1.00 0.00 H new ATOM 0 HD12 LEU C 225 97.012 -3.460 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU C 225 98.508 -3.054 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU C 225 97.255 -3.522 2.463 1.00 0.00 H new ATOM 0 HD22 LEU C 225 98.227 -2.064 2.157 1.00 0.00 H new ATOM 0 HD23 LEU C 225 96.565 -1.912 2.776 1.00 0.00 H new ATOM 1446 N ILE C 226 97.426 -0.193 -2.930 1.00 0.00 N ATOM 1447 CA ILE C 226 97.441 -0.574 -4.408 1.00 0.00 C ATOM 1448 C ILE C 226 98.781 -0.191 -5.133 1.00 0.00 C ATOM 1449 O ILE C 226 99.374 -1.019 -5.799 1.00 0.00 O ATOM 1450 CB ILE C 226 96.174 0.129 -5.129 1.00 0.00 C ATOM 1451 CG1 ILE C 226 94.803 -0.219 -4.328 1.00 0.00 C ATOM 1452 CG2 ILE C 226 96.049 -0.322 -6.670 1.00 0.00 C ATOM 1453 CD1 ILE C 226 93.566 0.585 -4.840 1.00 0.00 C ATOM 0 H ILE C 226 96.756 0.543 -2.708 1.00 0.00 H new ATOM 0 HA ILE C 226 97.370 -1.659 -4.480 1.00 0.00 H new ATOM 0 HB ILE C 226 96.334 1.207 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE C 226 94.598 -1.286 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE C 226 94.948 -0.013 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE C 226 95.188 0.168 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE C 226 96.954 -0.037 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE C 226 95.921 -1.403 -6.723 1.00 0.00 H new ATOM 0 HD11 ILE C 226 92.685 0.304 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE C 226 93.752 1.653 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE C 226 93.396 0.360 -5.893 1.00 0.00 H new ATOM 1465 N VAL C 227 99.182 1.096 -5.061 1.00 0.00 N ATOM 1466 CA VAL C 227 100.417 1.643 -5.790 1.00 0.00 C ATOM 1467 C VAL C 227 101.771 1.078 -5.263 1.00 0.00 C ATOM 1468 O VAL C 227 102.717 0.934 -6.026 1.00 0.00 O ATOM 1469 CB VAL C 227 100.368 3.250 -5.766 1.00 0.00 C ATOM 1470 CG1 VAL C 227 98.994 3.776 -6.424 1.00 0.00 C ATOM 1471 CG2 VAL C 227 100.495 3.793 -4.271 1.00 0.00 C ATOM 0 H VAL C 227 98.689 1.801 -4.513 1.00 0.00 H new ATOM 0 HA VAL C 227 100.375 1.293 -6.822 1.00 0.00 H new ATOM 0 HB VAL C 227 101.209 3.627 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL C 227 98.974 4.866 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL C 227 98.931 3.433 -7.457 1.00 0.00 H new ATOM 0 HG13 VAL C 227 98.147 3.385 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL C 227 100.460 4.882 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL C 227 99.671 3.406 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL C 227 101.441 3.462 -3.843 1.00 0.00 H new ATOM 1481 N ALA C 228 101.868 0.869 -3.930 1.00 0.00 N ATOM 1482 CA ALA C 228 103.158 0.437 -3.236 1.00 0.00 C ATOM 1483 C ALA C 228 103.751 -0.910 -3.760 1.00 0.00 C ATOM 1484 O ALA C 228 104.964 -1.080 -3.725 1.00 0.00 O ATOM 1485 CB ALA C 228 102.886 0.355 -1.685 1.00 0.00 C ATOM 0 H ALA C 228 101.082 0.986 -3.291 1.00 0.00 H new ATOM 0 HA ALA C 228 103.915 1.187 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA C 228 103.797 0.048 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA C 228 102.575 1.333 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA C 228 102.098 -0.372 -1.492 1.00 0.00 H new ATOM 1491 N VAL C 229 102.905 -1.877 -4.215 1.00 0.00 N ATOM 1492 CA VAL C 229 103.429 -3.233 -4.722 1.00 0.00 C ATOM 1493 C VAL C 229 104.285 -3.042 -6.008 1.00 0.00 C ATOM 1494 O VAL C 229 105.291 -3.709 -6.196 1.00 0.00 O ATOM 1495 CB VAL C 229 102.229 -4.290 -4.941 1.00 0.00 C ATOM 1496 CG1 VAL C 229 101.307 -4.345 -3.631 1.00 0.00 C ATOM 1497 CG2 VAL C 229 101.339 -3.950 -6.233 1.00 0.00 C ATOM 0 H VAL C 229 101.891 -1.776 -4.252 1.00 0.00 H new ATOM 0 HA VAL C 229 104.077 -3.656 -3.954 1.00 0.00 H new ATOM 0 HB VAL C 229 102.682 -5.266 -5.115 1.00 0.00 H new ATOM 0 HG11 VAL C 229 100.499 -5.060 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL C 229 101.908 -4.655 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL C 229 100.886 -3.358 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL C 229 100.546 -4.691 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL C 229 100.897 -2.960 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL C 229 101.968 -3.968 -7.123 1.00 0.00 H new ATOM 1507 N PHE C 230 103.838 -2.103 -6.898 1.00 0.00 N ATOM 1508 CA PHE C 230 104.554 -1.798 -8.213 1.00 0.00 C ATOM 1509 C PHE C 230 105.971 -1.200 -7.949 1.00 0.00 C ATOM 1510 O PHE C 230 106.886 -1.419 -8.729 1.00 0.00 O ATOM 1511 CB PHE C 230 103.661 -0.821 -9.076 1.00 0.00 C ATOM 1512 CG PHE C 230 102.324 -1.557 -9.535 1.00 0.00 C ATOM 1513 CD1 PHE C 230 102.291 -2.322 -10.750 1.00 0.00 C ATOM 1514 CD2 PHE C 230 101.133 -1.496 -8.745 1.00 0.00 C ATOM 1515 CE1 PHE C 230 101.109 -2.987 -11.151 1.00 0.00 C ATOM 1516 CE2 PHE C 230 99.956 -2.164 -9.159 1.00 0.00 C ATOM 1517 CZ PHE C 230 99.945 -2.906 -10.359 1.00 0.00 C ATOM 0 H PHE C 230 102.999 -1.543 -6.747 1.00 0.00 H new ATOM 0 HA PHE C 230 104.699 -2.723 -8.771 1.00 0.00 H new ATOM 0 HB2 PHE C 230 103.414 0.067 -8.494 1.00 0.00 H new ATOM 0 HB3 PHE C 230 104.218 -0.485 -9.950 1.00 0.00 H new ATOM 0 HD1 PHE C 230 103.177 -2.390 -11.363 1.00 0.00 H new ATOM 0 HD2 PHE C 230 101.132 -0.934 -7.823 1.00 0.00 H new ATOM 0 HE1 PHE C 230 101.098 -3.559 -12.067 1.00 0.00 H new ATOM 0 HE2 PHE C 230 99.063 -2.106 -8.554 1.00 0.00 H new ATOM 0 HZ PHE C 230 99.044 -3.413 -10.671 1.00 0.00 H new ATOM 1527 N VAL C 231 106.127 -0.445 -6.826 1.00 0.00 N ATOM 1528 CA VAL C 231 107.459 0.201 -6.432 1.00 0.00 C ATOM 1529 C VAL C 231 108.504 -0.918 -6.119 1.00 0.00 C ATOM 1530 O VAL C 231 109.667 -0.814 -6.487 1.00 0.00 O ATOM 1531 CB VAL C 231 107.241 1.187 -5.182 1.00 0.00 C ATOM 1532 CG1 VAL C 231 108.602 1.939 -4.768 1.00 0.00 C ATOM 1533 CG2 VAL C 231 106.104 2.268 -5.525 1.00 0.00 C ATOM 0 H VAL C 231 105.369 -0.257 -6.169 1.00 0.00 H new ATOM 0 HA VAL C 231 107.844 0.801 -7.257 1.00 0.00 H new ATOM 0 HB VAL C 231 106.925 0.579 -4.334 1.00 0.00 H new ATOM 0 HG11 VAL C 231 108.411 2.596 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL C 231 109.356 1.201 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL C 231 108.962 2.530 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL C 231 105.964 2.932 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL C 231 106.408 2.853 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL C 231 105.168 1.754 -5.743 1.00 0.00 H new ATOM 1543 N CYS C 232 108.038 -1.981 -5.414 1.00 0.00 N ATOM 1544 CA CYS C 232 108.903 -3.167 -5.005 1.00 0.00 C ATOM 1545 C CYS C 232 109.355 -3.985 -6.255 1.00 0.00 C ATOM 1546 O CYS C 232 110.479 -4.461 -6.320 1.00 0.00 O ATOM 1547 CB CYS C 232 108.079 -4.065 -4.009 1.00 0.00 C ATOM 1548 SG CYS C 232 107.570 -3.083 -2.565 1.00 0.00 S ATOM 0 H CYS C 232 107.069 -2.060 -5.107 1.00 0.00 H new ATOM 0 HA CYS C 232 109.807 -2.810 -4.512 1.00 0.00 H new ATOM 0 HB2 CYS C 232 107.201 -4.470 -4.512 1.00 0.00 H new ATOM 0 HB3 CYS C 232 108.682 -4.914 -3.688 1.00 0.00 H new ATOM 0 HG CYS C 232 106.593 -2.293 -2.900 1.00 0.00 H new ATOM 1554 N LYS C 233 108.426 -4.152 -7.226 1.00 0.00 N ATOM 1555 CA LYS C 233 108.678 -4.933 -8.509 1.00 0.00 C ATOM 1556 C LYS C 233 109.569 -4.101 -9.481 1.00 0.00 C ATOM 1557 O LYS C 233 110.478 -4.628 -10.109 1.00 0.00 O ATOM 1558 CB LYS C 233 107.269 -5.294 -9.162 1.00 0.00 C ATOM 1559 CG LYS C 233 106.364 -6.259 -8.243 1.00 0.00 C ATOM 1560 CD LYS C 233 106.867 -7.782 -8.225 1.00 0.00 C ATOM 1561 CE LYS C 233 105.907 -8.712 -7.374 1.00 0.00 C ATOM 1562 NZ LYS C 233 104.558 -8.737 -8.009 1.00 0.00 N ATOM 0 H LYS C 233 107.485 -3.763 -7.165 1.00 0.00 H new ATOM 0 HA LYS C 233 109.216 -5.856 -8.294 1.00 0.00 H new ATOM 0 HB2 LYS C 233 106.721 -4.372 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS C 233 107.437 -5.775 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS C 233 106.358 -5.875 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS C 233 105.335 -6.229 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS C 233 106.924 -8.157 -9.247 1.00 0.00 H new ATOM 0 HD3 LYS C 233 107.875 -7.826 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS C 233 106.315 -9.721 -7.318 1.00 0.00 H new ATOM 0 HE3 LYS C 233 105.834 -8.341 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS C 233 103.987 -9.494 -7.581 1.00 0.00 H new ATOM 0 HZ2 LYS C 233 104.087 -7.822 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS C 233 104.658 -8.913 -9.029 1.00 0.00 H new