USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=16 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 34:sc= 0.073 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 THR OG1 : rot -65:sc= 0.991 USER MOD Single : A 232 CYS SG : rot 72:sc= 1.01 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 SER OG : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 28:sc= 0.0782 USER MOD Single : B 217 TYR OH : rot 180:sc= 0 USER MOD Single : B 219 THR OG1 : rot -69:sc= 1.02 USER MOD Single : B 232 CYS SG : rot 89:sc= 1.3 USER MOD Single : B 233 LYS NZ :NH3+ -109:sc= -0.27 (180deg=-1.81!) USER MOD Single : B 234 SER OG : rot -28:sc= 0.303 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 -74:sc= 0.137 USER MOD Single : C 232 CYS SG : rot 180:sc= 0 USER MOD Single : C 233 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 212 85.184 19.646 2.126 1.00 0.00 N ATOM 72 CA SER A 212 84.348 18.484 2.640 1.00 0.00 C ATOM 73 C SER A 212 83.795 17.659 1.446 1.00 0.00 C ATOM 74 O SER A 212 83.406 16.519 1.606 1.00 0.00 O ATOM 75 CB SER A 212 83.198 19.052 3.535 1.00 0.00 C ATOM 76 OG SER A 212 83.778 19.716 4.651 1.00 0.00 O ATOM 0 HA SER A 212 84.959 17.812 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 212 82.580 19.744 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 212 82.547 18.245 3.871 1.00 0.00 H new ATOM 0 HG SER A 212 84.624 20.130 4.382 1.00 0.00 H new ATOM 82 N GLY A 213 83.750 18.301 0.262 1.00 0.00 N ATOM 83 CA GLY A 213 83.240 17.678 -1.019 1.00 0.00 C ATOM 84 C GLY A 213 84.223 16.674 -1.657 1.00 0.00 C ATOM 85 O GLY A 213 83.826 15.581 -2.050 1.00 0.00 O ATOM 0 H GLY A 213 84.061 19.265 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 213 82.298 17.170 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 213 83.026 18.470 -1.737 1.00 0.00 H new ATOM 89 N ILE A 214 85.517 17.090 -1.830 1.00 0.00 N ATOM 90 CA ILE A 214 86.571 16.222 -2.526 1.00 0.00 C ATOM 91 C ILE A 214 86.907 14.933 -1.729 1.00 0.00 C ATOM 92 O ILE A 214 87.139 13.901 -2.335 1.00 0.00 O ATOM 93 CB ILE A 214 87.881 17.098 -2.865 1.00 0.00 C ATOM 94 CG1 ILE A 214 88.944 16.262 -3.763 1.00 0.00 C ATOM 95 CG2 ILE A 214 88.558 17.648 -1.532 1.00 0.00 C ATOM 96 CD1 ILE A 214 90.128 17.129 -4.289 1.00 0.00 C ATOM 0 H ILE A 214 85.866 17.994 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 214 86.146 15.874 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 214 87.560 17.954 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 214 89.342 15.439 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 214 88.422 15.820 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 214 89.440 18.236 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 214 87.847 18.275 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 214 88.851 16.810 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 214 90.799 16.507 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 214 89.740 17.937 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 214 90.674 17.550 -3.445 1.00 0.00 H new ATOM 108 N ILE A 215 86.944 14.990 -0.362 1.00 0.00 N ATOM 109 CA ILE A 215 87.282 13.752 0.487 1.00 0.00 C ATOM 110 C ILE A 215 86.278 12.586 0.189 1.00 0.00 C ATOM 111 O ILE A 215 86.660 11.421 0.206 1.00 0.00 O ATOM 112 CB ILE A 215 87.387 14.126 2.052 1.00 0.00 C ATOM 113 CG1 ILE A 215 85.984 14.690 2.600 1.00 0.00 C ATOM 114 CG2 ILE A 215 88.566 15.201 2.278 1.00 0.00 C ATOM 115 CD1 ILE A 215 85.975 14.967 4.136 1.00 0.00 C ATOM 0 H ILE A 215 86.755 15.834 0.179 1.00 0.00 H new ATOM 0 HA ILE A 215 88.270 13.389 0.203 1.00 0.00 H new ATOM 0 HB ILE A 215 87.624 13.223 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 215 85.743 15.613 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 215 85.198 13.973 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 215 88.633 15.450 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 215 89.513 14.778 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 215 88.350 16.103 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 215 84.996 15.345 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 215 86.185 14.042 4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 215 86.738 15.707 4.377 1.00 0.00 H new ATOM 127 N ILE A 216 84.985 12.936 -0.108 1.00 0.00 N ATOM 128 CA ILE A 216 83.900 11.905 -0.450 1.00 0.00 C ATOM 129 C ILE A 216 84.272 11.178 -1.786 1.00 0.00 C ATOM 130 O ILE A 216 84.073 9.978 -1.923 1.00 0.00 O ATOM 131 CB ILE A 216 82.460 12.631 -0.548 1.00 0.00 C ATOM 132 CG1 ILE A 216 82.123 13.375 0.851 1.00 0.00 C ATOM 133 CG2 ILE A 216 81.292 11.585 -0.924 1.00 0.00 C ATOM 134 CD1 ILE A 216 80.835 14.254 0.798 1.00 0.00 C ATOM 0 H ILE A 216 84.655 13.901 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 216 83.840 11.155 0.339 1.00 0.00 H new ATOM 0 HB ILE A 216 82.508 13.370 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 216 82.008 12.625 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 216 82.969 14.002 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 216 80.338 12.110 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 216 81.511 11.125 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 216 81.236 10.812 -0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 216 80.673 14.721 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 216 80.953 15.027 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 216 79.978 13.629 0.548 1.00 0.00 H new ATOM 146 N TYR A 217 84.780 11.962 -2.774 1.00 0.00 N ATOM 147 CA TYR A 217 85.162 11.434 -4.157 1.00 0.00 C ATOM 148 C TYR A 217 86.313 10.379 -4.075 1.00 0.00 C ATOM 149 O TYR A 217 86.341 9.437 -4.857 1.00 0.00 O ATOM 150 CB TYR A 217 85.555 12.651 -5.105 1.00 0.00 C ATOM 151 CG TYR A 217 84.464 13.809 -5.266 1.00 0.00 C ATOM 152 CD1 TYR A 217 83.111 13.732 -4.767 1.00 0.00 C ATOM 153 CD2 TYR A 217 84.838 15.012 -5.968 1.00 0.00 C ATOM 154 CE1 TYR A 217 82.211 14.809 -4.968 1.00 0.00 C ATOM 155 CE2 TYR A 217 83.914 16.065 -6.147 1.00 0.00 C ATOM 156 CZ TYR A 217 82.616 15.959 -5.650 1.00 0.00 C ATOM 157 OH TYR A 217 81.721 16.998 -5.837 1.00 0.00 O ATOM 0 H TYR A 217 84.943 12.963 -2.661 1.00 0.00 H new ATOM 0 HA TYR A 217 84.299 10.922 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 217 86.473 13.098 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 217 85.780 12.254 -6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 217 82.783 12.849 -4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 217 85.839 15.109 -6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 217 81.202 14.740 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 217 84.215 16.959 -6.673 1.00 0.00 H new ATOM 0 HH TYR A 217 82.160 17.723 -6.328 1.00 0.00 H new ATOM 167 N VAL A 218 87.262 10.562 -3.111 1.00 0.00 N ATOM 168 CA VAL A 218 88.449 9.597 -2.925 1.00 0.00 C ATOM 169 C VAL A 218 87.933 8.150 -2.660 1.00 0.00 C ATOM 170 O VAL A 218 88.539 7.177 -3.091 1.00 0.00 O ATOM 171 CB VAL A 218 89.389 10.090 -1.709 1.00 0.00 C ATOM 172 CG1 VAL A 218 90.646 9.109 -1.474 1.00 0.00 C ATOM 173 CG2 VAL A 218 89.918 11.576 -1.973 1.00 0.00 C ATOM 0 H VAL A 218 87.253 11.341 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 218 89.041 9.593 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 218 88.774 10.072 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 218 91.249 9.482 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 218 90.287 8.107 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 218 91.254 9.073 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 218 90.550 11.890 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 218 90.496 11.598 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 218 89.069 12.254 -2.060 1.00 0.00 H new ATOM 183 N THR A 219 86.830 8.057 -1.886 1.00 0.00 N ATOM 184 CA THR A 219 86.214 6.727 -1.463 1.00 0.00 C ATOM 185 C THR A 219 85.648 5.959 -2.678 1.00 0.00 C ATOM 186 O THR A 219 85.926 4.781 -2.873 1.00 0.00 O ATOM 187 CB THR A 219 85.060 6.984 -0.392 1.00 0.00 C ATOM 188 OG1 THR A 219 83.870 7.420 -1.054 1.00 0.00 O ATOM 189 CG2 THR A 219 85.450 8.087 0.665 1.00 0.00 C ATOM 0 H THR A 219 86.330 8.871 -1.529 1.00 0.00 H new ATOM 0 HA THR A 219 86.997 6.115 -1.015 1.00 0.00 H new ATOM 0 HB THR A 219 84.905 6.039 0.128 1.00 0.00 H new ATOM 0 HG1 THR A 219 84.030 8.290 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 219 84.629 8.222 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 219 86.344 7.774 1.205 1.00 0.00 H new ATOM 0 HG23 THR A 219 85.647 9.029 0.152 1.00 0.00 H new ATOM 197 N VAL A 220 84.851 6.677 -3.500 1.00 0.00 N ATOM 198 CA VAL A 220 84.209 6.110 -4.755 1.00 0.00 C ATOM 199 C VAL A 220 85.318 5.833 -5.813 1.00 0.00 C ATOM 200 O VAL A 220 85.329 4.786 -6.436 1.00 0.00 O ATOM 201 CB VAL A 220 83.102 7.143 -5.295 1.00 0.00 C ATOM 202 CG1 VAL A 220 82.342 6.579 -6.594 1.00 0.00 C ATOM 203 CG2 VAL A 220 82.038 7.471 -4.137 1.00 0.00 C ATOM 0 H VAL A 220 84.623 7.657 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 220 83.707 5.166 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 220 83.620 8.058 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 220 81.602 7.307 -6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 220 83.065 6.405 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 220 81.843 5.642 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 220 81.293 8.172 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 220 81.545 6.551 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 220 82.553 7.914 -3.284 1.00 0.00 H new ATOM 213 N ALA A 221 86.255 6.807 -5.989 1.00 0.00 N ATOM 214 CA ALA A 221 87.399 6.698 -6.990 1.00 0.00 C ATOM 215 C ALA A 221 88.263 5.425 -6.738 1.00 0.00 C ATOM 216 O ALA A 221 88.783 4.829 -7.673 1.00 0.00 O ATOM 217 CB ALA A 221 88.278 8.002 -6.908 1.00 0.00 C ATOM 0 H ALA A 221 86.256 7.680 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 221 86.982 6.602 -7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 221 89.099 7.933 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 221 87.664 8.870 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 221 88.680 8.107 -5.900 1.00 0.00 H new ATOM 223 N ALA A 222 88.416 5.044 -5.438 1.00 0.00 N ATOM 224 CA ALA A 222 89.244 3.835 -5.022 1.00 0.00 C ATOM 225 C ALA A 222 88.656 2.513 -5.608 1.00 0.00 C ATOM 226 O ALA A 222 89.395 1.645 -6.052 1.00 0.00 O ATOM 227 CB ALA A 222 89.301 3.785 -3.449 1.00 0.00 C ATOM 0 H ALA A 222 87.989 5.539 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 222 90.253 3.932 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 222 89.891 2.924 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 222 89.762 4.698 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 222 88.290 3.698 -3.051 1.00 0.00 H new ATOM 233 N VAL A 223 87.304 2.390 -5.584 1.00 0.00 N ATOM 234 CA VAL A 223 86.561 1.161 -6.110 1.00 0.00 C ATOM 235 C VAL A 223 86.671 1.108 -7.664 1.00 0.00 C ATOM 236 O VAL A 223 86.827 0.044 -8.247 1.00 0.00 O ATOM 237 CB VAL A 223 85.040 1.211 -5.599 1.00 0.00 C ATOM 238 CG1 VAL A 223 84.207 -0.078 -6.074 1.00 0.00 C ATOM 239 CG2 VAL A 223 84.998 1.330 -3.994 1.00 0.00 C ATOM 0 H VAL A 223 86.687 3.112 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 223 87.009 0.244 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 223 84.573 2.091 -6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 223 83.183 -0.005 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 223 84.200 -0.126 -7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 223 84.672 -0.979 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 223 83.961 1.363 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 223 85.495 0.466 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 223 85.509 2.241 -3.683 1.00 0.00 H new ATOM 249 N VAL A 224 86.581 2.300 -8.308 1.00 0.00 N ATOM 250 CA VAL A 224 86.671 2.454 -9.825 1.00 0.00 C ATOM 251 C VAL A 224 88.081 2.014 -10.319 1.00 0.00 C ATOM 252 O VAL A 224 88.220 1.504 -11.418 1.00 0.00 O ATOM 253 CB VAL A 224 86.325 3.977 -10.196 1.00 0.00 C ATOM 254 CG1 VAL A 224 86.563 4.319 -11.746 1.00 0.00 C ATOM 255 CG2 VAL A 224 84.798 4.308 -9.800 1.00 0.00 C ATOM 0 H VAL A 224 86.446 3.185 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 224 85.952 1.810 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 224 87.011 4.600 -9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 224 86.311 5.363 -11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 224 87.609 4.148 -12.000 1.00 0.00 H new ATOM 0 HG13 VAL A 224 85.931 3.679 -12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 224 84.572 5.343 -10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 224 84.128 3.645 -10.348 1.00 0.00 H new ATOM 0 HG23 VAL A 224 84.660 4.160 -8.729 1.00 0.00 H new ATOM 265 N LEU A 225 89.119 2.245 -9.478 1.00 0.00 N ATOM 266 CA LEU A 225 90.574 1.893 -9.817 1.00 0.00 C ATOM 267 C LEU A 225 90.740 0.344 -10.015 1.00 0.00 C ATOM 268 O LEU A 225 91.373 -0.117 -10.953 1.00 0.00 O ATOM 269 CB LEU A 225 91.519 2.433 -8.628 1.00 0.00 C ATOM 270 CG LEU A 225 93.068 2.741 -9.040 1.00 0.00 C ATOM 271 CD1 LEU A 225 93.724 1.577 -9.887 1.00 0.00 C ATOM 272 CD2 LEU A 225 93.234 4.146 -9.778 1.00 0.00 C ATOM 0 H LEU A 225 89.006 2.670 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 225 90.862 2.368 -10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 225 91.081 3.347 -8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 225 91.516 1.698 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 225 93.612 2.797 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 225 94.753 1.840 -10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 225 93.713 0.654 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 225 93.159 1.434 -10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 225 94.283 4.303 -10.031 1.00 0.00 H new ATOM 0 HD22 LEU A 225 92.636 4.151 -10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 225 92.896 4.946 -9.119 1.00 0.00 H new ATOM 284 N ILE A 226 90.174 -0.429 -9.058 1.00 0.00 N ATOM 285 CA ILE A 226 90.270 -1.953 -9.026 1.00 0.00 C ATOM 286 C ILE A 226 89.587 -2.630 -10.269 1.00 0.00 C ATOM 287 O ILE A 226 90.196 -3.453 -10.922 1.00 0.00 O ATOM 288 CB ILE A 226 89.651 -2.467 -7.628 1.00 0.00 C ATOM 289 CG1 ILE A 226 90.443 -1.775 -6.386 1.00 0.00 C ATOM 290 CG2 ILE A 226 89.709 -4.073 -7.501 1.00 0.00 C ATOM 291 CD1 ILE A 226 89.794 -2.051 -4.999 1.00 0.00 C ATOM 0 H ILE A 226 89.637 -0.042 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 226 91.317 -2.248 -9.091 1.00 0.00 H new ATOM 0 HB ILE A 226 88.601 -2.175 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 226 91.471 -2.138 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 226 90.487 -0.698 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 226 89.283 -4.378 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 226 89.138 -4.523 -8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 226 90.746 -4.405 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 226 90.376 -1.558 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 226 88.775 -1.663 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 226 89.775 -3.125 -4.813 1.00 0.00 H new ATOM 303 N VAL A 227 88.300 -2.315 -10.535 1.00 0.00 N ATOM 304 CA VAL A 227 87.494 -2.948 -11.681 1.00 0.00 C ATOM 305 C VAL A 227 88.023 -2.560 -13.099 1.00 0.00 C ATOM 306 O VAL A 227 87.921 -3.346 -14.034 1.00 0.00 O ATOM 307 CB VAL A 227 85.938 -2.588 -11.494 1.00 0.00 C ATOM 308 CG1 VAL A 227 85.411 -3.121 -10.072 1.00 0.00 C ATOM 309 CG2 VAL A 227 85.711 -1.010 -11.599 1.00 0.00 C ATOM 0 H VAL A 227 87.771 -1.633 -9.992 1.00 0.00 H new ATOM 0 HA VAL A 227 87.622 -4.029 -11.625 1.00 0.00 H new ATOM 0 HB VAL A 227 85.375 -3.077 -12.289 1.00 0.00 H new ATOM 0 HG11 VAL A 227 84.356 -2.871 -9.958 1.00 0.00 H new ATOM 0 HG12 VAL A 227 85.535 -4.203 -10.020 1.00 0.00 H new ATOM 0 HG13 VAL A 227 85.984 -2.651 -9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 227 84.652 -0.785 -11.470 1.00 0.00 H new ATOM 0 HG22 VAL A 227 86.286 -0.507 -10.821 1.00 0.00 H new ATOM 0 HG23 VAL A 227 86.040 -0.659 -12.577 1.00 0.00 H new ATOM 319 N ALA A 228 88.483 -1.296 -13.252 1.00 0.00 N ATOM 320 CA ALA A 228 88.922 -0.721 -14.598 1.00 0.00 C ATOM 321 C ALA A 228 90.079 -1.512 -15.291 1.00 0.00 C ATOM 322 O ALA A 228 90.133 -1.532 -16.517 1.00 0.00 O ATOM 323 CB ALA A 228 89.334 0.786 -14.383 1.00 0.00 C ATOM 0 H ALA A 228 88.569 -0.637 -12.478 1.00 0.00 H new ATOM 0 HA ALA A 228 88.075 -0.808 -15.279 1.00 0.00 H new ATOM 0 HB1 ALA A 228 89.651 1.216 -15.333 1.00 0.00 H new ATOM 0 HB2 ALA A 228 88.481 1.345 -13.999 1.00 0.00 H new ATOM 0 HB3 ALA A 228 90.155 0.840 -13.668 1.00 0.00 H new ATOM 329 N VAL A 229 91.016 -2.141 -14.520 1.00 0.00 N ATOM 330 CA VAL A 229 92.188 -2.916 -15.153 1.00 0.00 C ATOM 331 C VAL A 229 91.665 -4.166 -15.926 1.00 0.00 C ATOM 332 O VAL A 229 92.214 -4.534 -16.953 1.00 0.00 O ATOM 333 CB VAL A 229 93.322 -3.291 -14.067 1.00 0.00 C ATOM 334 CG1 VAL A 229 93.733 -1.982 -13.241 1.00 0.00 C ATOM 335 CG2 VAL A 229 92.860 -4.458 -13.070 1.00 0.00 C ATOM 0 H VAL A 229 91.009 -2.144 -13.500 1.00 0.00 H new ATOM 0 HA VAL A 229 92.673 -2.262 -15.878 1.00 0.00 H new ATOM 0 HB VAL A 229 94.186 -3.669 -14.614 1.00 0.00 H new ATOM 0 HG11 VAL A 229 94.499 -2.239 -12.509 1.00 0.00 H new ATOM 0 HG12 VAL A 229 94.123 -1.228 -13.925 1.00 0.00 H new ATOM 0 HG13 VAL A 229 92.857 -1.587 -12.726 1.00 0.00 H new ATOM 0 HG21 VAL A 229 93.661 -4.669 -12.361 1.00 0.00 H new ATOM 0 HG22 VAL A 229 91.969 -4.141 -12.527 1.00 0.00 H new ATOM 0 HG23 VAL A 229 92.635 -5.358 -13.643 1.00 0.00 H new ATOM 345 N PHE A 230 90.578 -4.810 -15.399 1.00 0.00 N ATOM 346 CA PHE A 230 89.958 -6.047 -16.051 1.00 0.00 C ATOM 347 C PHE A 230 89.353 -5.680 -17.442 1.00 0.00 C ATOM 348 O PHE A 230 89.405 -6.468 -18.373 1.00 0.00 O ATOM 349 CB PHE A 230 88.855 -6.646 -15.087 1.00 0.00 C ATOM 350 CG PHE A 230 89.524 -7.182 -13.748 1.00 0.00 C ATOM 351 CD1 PHE A 230 89.826 -6.283 -12.679 1.00 0.00 C ATOM 352 CD2 PHE A 230 89.858 -8.570 -13.583 1.00 0.00 C ATOM 353 CE1 PHE A 230 90.435 -6.754 -11.490 1.00 0.00 C ATOM 354 CE2 PHE A 230 90.464 -9.026 -12.388 1.00 0.00 C ATOM 355 CZ PHE A 230 90.751 -8.120 -11.346 1.00 0.00 C ATOM 0 H PHE A 230 90.109 -4.514 -14.543 1.00 0.00 H new ATOM 0 HA PHE A 230 90.728 -6.801 -16.214 1.00 0.00 H new ATOM 0 HB2 PHE A 230 88.115 -5.882 -14.851 1.00 0.00 H new ATOM 0 HB3 PHE A 230 88.327 -7.457 -15.588 1.00 0.00 H new ATOM 0 HD1 PHE A 230 89.588 -5.234 -12.779 1.00 0.00 H new ATOM 0 HD2 PHE A 230 89.645 -9.270 -14.377 1.00 0.00 H new ATOM 0 HE1 PHE A 230 90.658 -6.063 -10.690 1.00 0.00 H new ATOM 0 HE2 PHE A 230 90.708 -10.072 -12.274 1.00 0.00 H new ATOM 0 HZ PHE A 230 91.214 -8.473 -10.436 1.00 0.00 H new ATOM 365 N VAL A 231 88.778 -4.455 -17.538 1.00 0.00 N ATOM 366 CA VAL A 231 88.130 -3.922 -18.815 1.00 0.00 C ATOM 367 C VAL A 231 89.222 -3.700 -19.908 1.00 0.00 C ATOM 368 O VAL A 231 88.980 -3.921 -21.088 1.00 0.00 O ATOM 369 CB VAL A 231 87.329 -2.570 -18.478 1.00 0.00 C ATOM 370 CG1 VAL A 231 86.571 -1.984 -19.771 1.00 0.00 C ATOM 371 CG2 VAL A 231 86.270 -2.834 -17.296 1.00 0.00 C ATOM 0 H VAL A 231 88.738 -3.799 -16.758 1.00 0.00 H new ATOM 0 HA VAL A 231 87.417 -4.646 -19.209 1.00 0.00 H new ATOM 0 HB VAL A 231 88.059 -1.828 -18.156 1.00 0.00 H new ATOM 0 HG11 VAL A 231 86.042 -1.070 -19.500 1.00 0.00 H new ATOM 0 HG12 VAL A 231 87.300 -1.763 -20.551 1.00 0.00 H new ATOM 0 HG13 VAL A 231 85.857 -2.721 -20.139 1.00 0.00 H new ATOM 0 HG21 VAL A 231 85.733 -1.911 -17.076 1.00 0.00 H new ATOM 0 HG22 VAL A 231 85.561 -3.601 -17.607 1.00 0.00 H new ATOM 0 HG23 VAL A 231 86.798 -3.169 -16.403 1.00 0.00 H new ATOM 381 N CYS A 232 90.420 -3.230 -19.473 1.00 0.00 N ATOM 382 CA CYS A 232 91.592 -2.938 -20.405 1.00 0.00 C ATOM 383 C CYS A 232 92.148 -4.256 -21.036 1.00 0.00 C ATOM 384 O CYS A 232 92.357 -4.336 -22.237 1.00 0.00 O ATOM 385 CB CYS A 232 92.709 -2.192 -19.582 1.00 0.00 C ATOM 386 SG CYS A 232 92.034 -0.665 -18.861 1.00 0.00 S ATOM 0 H CYS A 232 90.621 -3.039 -18.491 1.00 0.00 H new ATOM 0 HA CYS A 232 91.258 -2.306 -21.228 1.00 0.00 H new ATOM 0 HB2 CYS A 232 93.085 -2.842 -18.792 1.00 0.00 H new ATOM 0 HB3 CYS A 232 93.553 -1.956 -20.230 1.00 0.00 H new ATOM 0 HG CYS A 232 91.217 -0.965 -17.895 1.00 0.00 H new ATOM 392 N LYS A 233 92.383 -5.281 -20.176 1.00 0.00 N ATOM 393 CA LYS A 233 92.935 -6.645 -20.606 1.00 0.00 C ATOM 394 C LYS A 233 91.864 -7.431 -21.418 1.00 0.00 C ATOM 395 O LYS A 233 92.210 -8.252 -22.257 1.00 0.00 O ATOM 396 CB LYS A 233 93.431 -7.463 -19.309 1.00 0.00 C ATOM 397 CG LYS A 233 94.960 -7.162 -18.909 1.00 0.00 C ATOM 398 CD LYS A 233 95.210 -5.626 -18.549 1.00 0.00 C ATOM 399 CE LYS A 233 96.709 -5.345 -18.138 1.00 0.00 C ATOM 400 NZ LYS A 233 96.857 -3.899 -17.802 1.00 0.00 N ATOM 0 H LYS A 233 92.207 -5.213 -19.174 1.00 0.00 H new ATOM 0 HA LYS A 233 93.795 -6.503 -21.261 1.00 0.00 H new ATOM 0 HB2 LYS A 233 92.787 -7.216 -18.465 1.00 0.00 H new ATOM 0 HB3 LYS A 233 93.316 -8.531 -19.496 1.00 0.00 H new ATOM 0 HG2 LYS A 233 95.237 -7.781 -18.056 1.00 0.00 H new ATOM 0 HG3 LYS A 233 95.611 -7.448 -19.735 1.00 0.00 H new ATOM 0 HD2 LYS A 233 94.948 -5.006 -19.407 1.00 0.00 H new ATOM 0 HD3 LYS A 233 94.550 -5.334 -17.732 1.00 0.00 H new ATOM 0 HE2 LYS A 233 96.987 -5.961 -17.283 1.00 0.00 H new ATOM 0 HE3 LYS A 233 97.380 -5.613 -18.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 97.842 -3.705 -17.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 96.607 -3.323 -18.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 96.226 -3.660 -17.011 1.00 0.00 H new ATOM 414 N SER A 234 90.561 -7.159 -21.154 1.00 0.00 N ATOM 415 CA SER A 234 89.407 -7.851 -21.878 1.00 0.00 C ATOM 416 C SER A 234 89.425 -7.501 -23.393 1.00 0.00 C ATOM 417 O SER A 234 89.131 -8.334 -24.238 1.00 0.00 O ATOM 418 CB SER A 234 88.052 -7.414 -21.236 1.00 0.00 C ATOM 419 OG SER A 234 86.971 -8.026 -21.934 1.00 0.00 O ATOM 0 H SER A 234 90.261 -6.477 -20.457 1.00 0.00 H new ATOM 0 HA SER A 234 89.521 -8.930 -21.777 1.00 0.00 H new ATOM 0 HB2 SER A 234 88.027 -7.700 -20.185 1.00 0.00 H new ATOM 0 HB3 SER A 234 87.954 -6.329 -21.273 1.00 0.00 H new ATOM 0 HG SER A 234 86.122 -7.751 -21.528 1.00 0.00 H new ATOM 425 N LEU A 235 89.775 -6.227 -23.689 1.00 0.00 N ATOM 426 CA LEU A 235 89.848 -5.671 -25.107 1.00 0.00 C ATOM 427 C LEU A 235 91.047 -6.300 -25.879 1.00 0.00 C ATOM 428 O LEU A 235 90.957 -6.547 -27.072 1.00 0.00 O ATOM 429 CB LEU A 235 89.978 -4.093 -24.995 1.00 0.00 C ATOM 430 CG LEU A 235 90.096 -3.308 -26.408 1.00 0.00 C ATOM 431 CD1 LEU A 235 88.854 -3.578 -27.357 1.00 0.00 C ATOM 432 CD2 LEU A 235 90.282 -1.739 -26.158 1.00 0.00 C ATOM 0 H LEU A 235 90.017 -5.541 -22.974 1.00 0.00 H new ATOM 0 HA LEU A 235 88.950 -5.923 -25.671 1.00 0.00 H new ATOM 0 HB2 LEU A 235 89.111 -3.710 -24.456 1.00 0.00 H new ATOM 0 HB3 LEU A 235 90.856 -3.859 -24.393 1.00 0.00 H new ATOM 0 HG LEU A 235 90.976 -3.696 -26.920 1.00 0.00 H new ATOM 0 HD11 LEU A 235 88.983 -3.029 -28.290 1.00 0.00 H new ATOM 0 HD12 LEU A 235 88.784 -4.645 -27.570 1.00 0.00 H new ATOM 0 HD13 LEU A 235 87.940 -3.246 -26.864 1.00 0.00 H new ATOM 0 HD21 LEU A 235 90.360 -1.225 -27.116 1.00 0.00 H new ATOM 0 HD22 LEU A 235 89.423 -1.354 -25.608 1.00 0.00 H new ATOM 0 HD23 LEU A 235 91.190 -1.568 -25.579 1.00 0.00 H new ATOM 444 N LEU A 236 92.176 -6.523 -25.161 1.00 0.00 N ATOM 445 CA LEU A 236 93.457 -7.113 -25.758 1.00 0.00 C ATOM 446 C LEU A 236 93.342 -8.663 -25.865 1.00 0.00 C ATOM 447 O LEU A 236 94.032 -9.276 -26.667 1.00 0.00 O ATOM 448 CB LEU A 236 94.691 -6.692 -24.845 1.00 0.00 C ATOM 449 CG LEU A 236 94.855 -5.088 -24.684 1.00 0.00 C ATOM 450 CD1 LEU A 236 95.975 -4.738 -23.604 1.00 0.00 C ATOM 451 CD2 LEU A 236 95.184 -4.373 -26.071 1.00 0.00 C ATOM 0 H LEU A 236 92.251 -6.312 -24.166 1.00 0.00 H new ATOM 0 HA LEU A 236 93.609 -6.725 -26.765 1.00 0.00 H new ATOM 0 HB2 LEU A 236 94.572 -7.138 -23.858 1.00 0.00 H new ATOM 0 HB3 LEU A 236 95.606 -7.102 -25.272 1.00 0.00 H new ATOM 0 HG LEU A 236 93.895 -4.705 -24.337 1.00 0.00 H new ATOM 0 HD11 LEU A 236 96.067 -3.656 -23.513 1.00 0.00 H new ATOM 0 HD12 LEU A 236 95.695 -5.161 -22.639 1.00 0.00 H new ATOM 0 HD13 LEU A 236 96.930 -5.158 -23.921 1.00 0.00 H new ATOM 0 HD21 LEU A 236 95.285 -3.299 -25.912 1.00 0.00 H new ATOM 0 HD22 LEU A 236 96.117 -4.769 -26.473 1.00 0.00 H new ATOM 0 HD23 LEU A 236 94.376 -4.561 -26.778 1.00 0.00 H new ATOM 652 N SER B 212 74.395 9.855 5.460 1.00 0.00 N ATOM 653 CA SER B 212 75.715 10.129 6.159 1.00 0.00 C ATOM 654 C SER B 212 76.478 8.800 6.412 1.00 0.00 C ATOM 655 O SER B 212 77.680 8.726 6.252 1.00 0.00 O ATOM 656 CB SER B 212 75.426 10.894 7.491 1.00 0.00 C ATOM 657 OG SER B 212 74.812 12.138 7.174 1.00 0.00 O ATOM 0 HA SER B 212 76.353 10.749 5.530 1.00 0.00 H new ATOM 0 HB2 SER B 212 74.774 10.303 8.133 1.00 0.00 H new ATOM 0 HB3 SER B 212 76.352 11.058 8.042 1.00 0.00 H new ATOM 0 HG SER B 212 74.316 12.053 6.333 1.00 0.00 H new ATOM 663 N GLY B 213 75.713 7.788 6.862 1.00 0.00 N ATOM 664 CA GLY B 213 76.239 6.415 7.241 1.00 0.00 C ATOM 665 C GLY B 213 76.853 5.600 6.080 1.00 0.00 C ATOM 666 O GLY B 213 77.900 4.982 6.253 1.00 0.00 O ATOM 0 H GLY B 213 74.704 7.876 6.982 1.00 0.00 H new ATOM 0 HA2 GLY B 213 76.994 6.535 8.018 1.00 0.00 H new ATOM 0 HA3 GLY B 213 75.423 5.838 7.676 1.00 0.00 H new ATOM 670 N ILE B 214 76.173 5.554 4.895 1.00 0.00 N ATOM 671 CA ILE B 214 76.666 4.734 3.688 1.00 0.00 C ATOM 672 C ILE B 214 78.094 5.178 3.266 1.00 0.00 C ATOM 673 O ILE B 214 78.898 4.358 2.864 1.00 0.00 O ATOM 674 CB ILE B 214 75.599 4.835 2.490 1.00 0.00 C ATOM 675 CG1 ILE B 214 75.986 3.907 1.218 1.00 0.00 C ATOM 676 CG2 ILE B 214 75.406 6.348 2.027 1.00 0.00 C ATOM 677 CD1 ILE B 214 76.055 2.380 1.527 1.00 0.00 C ATOM 0 H ILE B 214 75.300 6.054 4.728 1.00 0.00 H new ATOM 0 HA ILE B 214 76.743 3.683 3.966 1.00 0.00 H new ATOM 0 HB ILE B 214 74.657 4.457 2.887 1.00 0.00 H new ATOM 0 HG12 ILE B 214 75.253 4.072 0.428 1.00 0.00 H new ATOM 0 HG13 ILE B 214 76.952 4.230 0.829 1.00 0.00 H new ATOM 0 HG21 ILE B 214 74.679 6.390 1.216 1.00 0.00 H new ATOM 0 HG22 ILE B 214 75.047 6.943 2.867 1.00 0.00 H new ATOM 0 HG23 ILE B 214 76.360 6.747 1.681 1.00 0.00 H new ATOM 0 HD11 ILE B 214 76.320 1.837 0.620 1.00 0.00 H new ATOM 0 HD12 ILE B 214 76.809 2.197 2.293 1.00 0.00 H new ATOM 0 HD13 ILE B 214 75.084 2.037 1.885 1.00 0.00 H new ATOM 689 N ILE B 215 78.391 6.504 3.367 1.00 0.00 N ATOM 690 CA ILE B 215 79.766 7.072 2.977 1.00 0.00 C ATOM 691 C ILE B 215 80.938 6.344 3.741 1.00 0.00 C ATOM 692 O ILE B 215 81.978 6.089 3.146 1.00 0.00 O ATOM 693 CB ILE B 215 79.775 8.666 3.207 1.00 0.00 C ATOM 694 CG1 ILE B 215 78.597 9.353 2.328 1.00 0.00 C ATOM 695 CG2 ILE B 215 81.203 9.315 2.839 1.00 0.00 C ATOM 696 CD1 ILE B 215 78.397 10.870 2.629 1.00 0.00 C ATOM 0 H ILE B 215 77.732 7.206 3.704 1.00 0.00 H new ATOM 0 HA ILE B 215 79.941 6.881 1.918 1.00 0.00 H new ATOM 0 HB ILE B 215 79.596 8.856 4.265 1.00 0.00 H new ATOM 0 HG12 ILE B 215 78.825 9.228 1.269 1.00 0.00 H new ATOM 0 HG13 ILE B 215 77.661 8.827 2.516 1.00 0.00 H new ATOM 0 HG21 ILE B 215 81.168 10.391 3.008 1.00 0.00 H new ATOM 0 HG22 ILE B 215 81.976 8.874 3.468 1.00 0.00 H new ATOM 0 HG23 ILE B 215 81.433 9.119 1.792 1.00 0.00 H new ATOM 0 HD11 ILE B 215 77.594 11.262 2.005 1.00 0.00 H new ATOM 0 HD12 ILE B 215 78.138 11.001 3.679 1.00 0.00 H new ATOM 0 HD13 ILE B 215 79.320 11.409 2.413 1.00 0.00 H new ATOM 708 N ILE B 216 80.759 6.027 5.061 1.00 0.00 N ATOM 709 CA ILE B 216 81.847 5.326 5.899 1.00 0.00 C ATOM 710 C ILE B 216 82.060 3.879 5.357 1.00 0.00 C ATOM 711 O ILE B 216 83.183 3.395 5.293 1.00 0.00 O ATOM 712 CB ILE B 216 81.453 5.331 7.466 1.00 0.00 C ATOM 713 CG1 ILE B 216 81.501 6.837 8.080 1.00 0.00 C ATOM 714 CG2 ILE B 216 82.411 4.380 8.353 1.00 0.00 C ATOM 715 CD1 ILE B 216 80.542 7.845 7.398 1.00 0.00 C ATOM 0 H ILE B 216 79.903 6.230 5.578 1.00 0.00 H new ATOM 0 HA ILE B 216 82.787 5.870 5.808 1.00 0.00 H new ATOM 0 HB ILE B 216 80.437 4.940 7.517 1.00 0.00 H new ATOM 0 HG12 ILE B 216 81.261 6.790 9.142 1.00 0.00 H new ATOM 0 HG13 ILE B 216 82.520 7.215 8.000 1.00 0.00 H new ATOM 0 HG21 ILE B 216 82.100 4.422 9.397 1.00 0.00 H new ATOM 0 HG22 ILE B 216 82.338 3.353 7.994 1.00 0.00 H new ATOM 0 HG23 ILE B 216 83.443 4.721 8.268 1.00 0.00 H new ATOM 0 HD11 ILE B 216 80.643 8.821 7.873 1.00 0.00 H new ATOM 0 HD12 ILE B 216 80.793 7.928 6.341 1.00 0.00 H new ATOM 0 HD13 ILE B 216 79.514 7.496 7.500 1.00 0.00 H new ATOM 727 N TYR B 217 80.942 3.193 5.015 1.00 0.00 N ATOM 728 CA TYR B 217 80.963 1.749 4.512 1.00 0.00 C ATOM 729 C TYR B 217 81.817 1.593 3.210 1.00 0.00 C ATOM 730 O TYR B 217 82.489 0.581 3.043 1.00 0.00 O ATOM 731 CB TYR B 217 79.478 1.255 4.305 1.00 0.00 C ATOM 732 CG TYR B 217 79.409 -0.289 3.925 1.00 0.00 C ATOM 733 CD1 TYR B 217 79.569 -1.287 4.939 1.00 0.00 C ATOM 734 CD2 TYR B 217 79.203 -0.726 2.571 1.00 0.00 C ATOM 735 CE1 TYR B 217 79.518 -2.660 4.605 1.00 0.00 C ATOM 736 CE2 TYR B 217 79.156 -2.106 2.268 1.00 0.00 C ATOM 737 CZ TYR B 217 79.312 -3.059 3.280 1.00 0.00 C ATOM 738 OH TYR B 217 79.263 -4.406 2.968 1.00 0.00 O ATOM 0 H TYR B 217 80.005 3.593 5.069 1.00 0.00 H new ATOM 0 HA TYR B 217 81.446 1.121 5.261 1.00 0.00 H new ATOM 0 HB2 TYR B 217 78.908 1.429 5.217 1.00 0.00 H new ATOM 0 HB3 TYR B 217 79.007 1.843 3.517 1.00 0.00 H new ATOM 0 HD1 TYR B 217 79.730 -0.989 5.965 1.00 0.00 H new ATOM 0 HD2 TYR B 217 79.084 0.002 1.783 1.00 0.00 H new ATOM 0 HE1 TYR B 217 79.639 -3.405 5.377 1.00 0.00 H new ATOM 0 HE2 TYR B 217 78.999 -2.427 1.249 1.00 0.00 H new ATOM 0 HH TYR B 217 79.112 -4.514 2.006 1.00 0.00 H new ATOM 748 N VAL B 218 81.785 2.611 2.293 1.00 0.00 N ATOM 749 CA VAL B 218 82.600 2.557 0.985 1.00 0.00 C ATOM 750 C VAL B 218 84.125 2.393 1.309 1.00 0.00 C ATOM 751 O VAL B 218 84.838 1.661 0.635 1.00 0.00 O ATOM 752 CB VAL B 218 82.347 3.878 0.098 1.00 0.00 C ATOM 753 CG1 VAL B 218 83.177 3.848 -1.284 1.00 0.00 C ATOM 754 CG2 VAL B 218 80.792 4.057 -0.224 1.00 0.00 C ATOM 0 H VAL B 218 81.231 3.460 2.407 1.00 0.00 H new ATOM 0 HA VAL B 218 82.270 1.695 0.405 1.00 0.00 H new ATOM 0 HB VAL B 218 82.698 4.724 0.689 1.00 0.00 H new ATOM 0 HG11 VAL B 218 82.976 4.758 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL B 218 84.243 3.784 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL B 218 82.874 2.981 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL B 218 80.646 4.955 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL B 218 80.433 3.189 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL B 218 80.236 4.149 0.709 1.00 0.00 H new ATOM 764 N THR B 219 84.592 3.148 2.333 1.00 0.00 N ATOM 765 CA THR B 219 86.060 3.169 2.770 1.00 0.00 C ATOM 766 C THR B 219 86.505 1.781 3.279 1.00 0.00 C ATOM 767 O THR B 219 87.541 1.261 2.891 1.00 0.00 O ATOM 768 CB THR B 219 86.298 4.263 3.915 1.00 0.00 C ATOM 769 OG1 THR B 219 85.888 3.742 5.181 1.00 0.00 O ATOM 770 CG2 THR B 219 85.480 5.584 3.670 1.00 0.00 C ATOM 0 H THR B 219 83.994 3.760 2.889 1.00 0.00 H new ATOM 0 HA THR B 219 86.659 3.433 1.898 1.00 0.00 H new ATOM 0 HB THR B 219 87.363 4.495 3.898 1.00 0.00 H new ATOM 0 HG1 THR B 219 84.913 3.646 5.195 1.00 0.00 H new ATOM 0 HG21 THR B 219 85.679 6.290 4.476 1.00 0.00 H new ATOM 0 HG22 THR B 219 85.778 6.025 2.719 1.00 0.00 H new ATOM 0 HG23 THR B 219 84.415 5.353 3.645 1.00 0.00 H new ATOM 778 N VAL B 220 85.669 1.205 4.170 1.00 0.00 N ATOM 779 CA VAL B 220 85.910 -0.155 4.800 1.00 0.00 C ATOM 780 C VAL B 220 85.767 -1.262 3.714 1.00 0.00 C ATOM 781 O VAL B 220 86.561 -2.185 3.659 1.00 0.00 O ATOM 782 CB VAL B 220 84.876 -0.351 6.015 1.00 0.00 C ATOM 783 CG1 VAL B 220 85.074 -1.765 6.751 1.00 0.00 C ATOM 784 CG2 VAL B 220 85.034 0.844 7.078 1.00 0.00 C ATOM 0 H VAL B 220 84.807 1.649 4.485 1.00 0.00 H new ATOM 0 HA VAL B 220 86.920 -0.226 5.203 1.00 0.00 H new ATOM 0 HB VAL B 220 83.871 -0.334 5.592 1.00 0.00 H new ATOM 0 HG11 VAL B 220 84.355 -1.855 7.565 1.00 0.00 H new ATOM 0 HG12 VAL B 220 84.916 -2.573 6.036 1.00 0.00 H new ATOM 0 HG13 VAL B 220 86.086 -1.828 7.152 1.00 0.00 H new ATOM 0 HG21 VAL B 220 84.328 0.699 7.896 1.00 0.00 H new ATOM 0 HG22 VAL B 220 86.050 0.848 7.472 1.00 0.00 H new ATOM 0 HG23 VAL B 220 84.831 1.796 6.588 1.00 0.00 H new ATOM 794 N ALA B 221 84.726 -1.139 2.849 1.00 0.00 N ATOM 795 CA ALA B 221 84.449 -2.146 1.739 1.00 0.00 C ATOM 796 C ALA B 221 85.641 -2.219 0.739 1.00 0.00 C ATOM 797 O ALA B 221 85.940 -3.278 0.203 1.00 0.00 O ATOM 798 CB ALA B 221 83.116 -1.742 1.008 1.00 0.00 C ATOM 0 H ALA B 221 84.059 -0.368 2.881 1.00 0.00 H new ATOM 0 HA ALA B 221 84.335 -3.140 2.171 1.00 0.00 H new ATOM 0 HB1 ALA B 221 82.907 -2.456 0.211 1.00 0.00 H new ATOM 0 HB2 ALA B 221 82.293 -1.746 1.723 1.00 0.00 H new ATOM 0 HB3 ALA B 221 83.222 -0.744 0.583 1.00 0.00 H new ATOM 804 N ALA B 222 86.301 -1.053 0.501 1.00 0.00 N ATOM 805 CA ALA B 222 87.477 -0.947 -0.454 1.00 0.00 C ATOM 806 C ALA B 222 88.711 -1.744 0.068 1.00 0.00 C ATOM 807 O ALA B 222 89.315 -2.508 -0.671 1.00 0.00 O ATOM 808 CB ALA B 222 87.823 0.578 -0.644 1.00 0.00 C ATOM 0 H ALA B 222 86.053 -0.170 0.946 1.00 0.00 H new ATOM 0 HA ALA B 222 87.207 -1.388 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA B 222 88.666 0.677 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA B 222 86.959 1.099 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA B 222 88.084 1.015 0.320 1.00 0.00 H new ATOM 814 N VAL B 223 89.071 -1.530 1.358 1.00 0.00 N ATOM 815 CA VAL B 223 90.264 -2.218 2.020 1.00 0.00 C ATOM 816 C VAL B 223 89.962 -3.733 2.223 1.00 0.00 C ATOM 817 O VAL B 223 90.842 -4.571 2.054 1.00 0.00 O ATOM 818 CB VAL B 223 90.606 -1.463 3.396 1.00 0.00 C ATOM 819 CG1 VAL B 223 91.858 -2.127 4.155 1.00 0.00 C ATOM 820 CG2 VAL B 223 90.905 0.094 3.112 1.00 0.00 C ATOM 0 H VAL B 223 88.570 -0.894 1.978 1.00 0.00 H new ATOM 0 HA VAL B 223 91.144 -2.158 1.380 1.00 0.00 H new ATOM 0 HB VAL B 223 89.736 -1.560 4.045 1.00 0.00 H new ATOM 0 HG11 VAL B 223 92.053 -1.584 5.080 1.00 0.00 H new ATOM 0 HG12 VAL B 223 91.633 -3.168 4.386 1.00 0.00 H new ATOM 0 HG13 VAL B 223 92.739 -2.080 3.514 1.00 0.00 H new ATOM 0 HG21 VAL B 223 91.136 0.597 4.051 1.00 0.00 H new ATOM 0 HG22 VAL B 223 91.754 0.184 2.434 1.00 0.00 H new ATOM 0 HG23 VAL B 223 90.028 0.556 2.659 1.00 0.00 H new ATOM 830 N VAL B 224 88.696 -4.062 2.598 1.00 0.00 N ATOM 831 CA VAL B 224 88.245 -5.503 2.842 1.00 0.00 C ATOM 832 C VAL B 224 88.277 -6.310 1.506 1.00 0.00 C ATOM 833 O VAL B 224 88.529 -7.505 1.523 1.00 0.00 O ATOM 834 CB VAL B 224 86.794 -5.479 3.554 1.00 0.00 C ATOM 835 CG1 VAL B 224 86.030 -6.894 3.502 1.00 0.00 C ATOM 836 CG2 VAL B 224 86.937 -5.004 5.090 1.00 0.00 C ATOM 0 H VAL B 224 87.959 -3.372 2.743 1.00 0.00 H new ATOM 0 HA VAL B 224 88.928 -6.019 3.516 1.00 0.00 H new ATOM 0 HB VAL B 224 86.190 -4.770 2.988 1.00 0.00 H new ATOM 0 HG11 VAL B 224 85.064 -6.804 3.998 1.00 0.00 H new ATOM 0 HG12 VAL B 224 85.879 -7.188 2.463 1.00 0.00 H new ATOM 0 HG13 VAL B 224 86.629 -7.650 4.009 1.00 0.00 H new ATOM 0 HG21 VAL B 224 85.954 -4.991 5.560 1.00 0.00 H new ATOM 0 HG22 VAL B 224 87.587 -5.696 5.626 1.00 0.00 H new ATOM 0 HG23 VAL B 224 87.368 -4.003 5.123 1.00 0.00 H new ATOM 846 N LEU B 225 87.996 -5.641 0.357 1.00 0.00 N ATOM 847 CA LEU B 225 87.968 -6.323 -1.017 1.00 0.00 C ATOM 848 C LEU B 225 89.375 -6.848 -1.432 1.00 0.00 C ATOM 849 O LEU B 225 89.477 -7.867 -2.108 1.00 0.00 O ATOM 850 CB LEU B 225 87.379 -5.291 -2.068 1.00 0.00 C ATOM 851 CG LEU B 225 87.293 -5.826 -3.597 1.00 0.00 C ATOM 852 CD1 LEU B 225 86.460 -7.169 -3.724 1.00 0.00 C ATOM 853 CD2 LEU B 225 86.682 -4.695 -4.547 1.00 0.00 C ATOM 0 H LEU B 225 87.785 -4.644 0.327 1.00 0.00 H new ATOM 0 HA LEU B 225 87.328 -7.205 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU B 225 86.379 -5.001 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU B 225 87.993 -4.390 -2.050 1.00 0.00 H new ATOM 0 HG LEU B 225 88.310 -6.053 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU B 225 86.433 -7.483 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU B 225 86.930 -7.947 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU B 225 85.443 -7.001 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU B 225 86.630 -5.068 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU B 225 85.681 -4.434 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU B 225 87.318 -3.810 -4.515 1.00 0.00 H new ATOM 865 N ILE B 226 90.451 -6.113 -1.052 1.00 0.00 N ATOM 866 CA ILE B 226 91.886 -6.489 -1.427 1.00 0.00 C ATOM 867 C ILE B 226 92.347 -7.784 -0.666 1.00 0.00 C ATOM 868 O ILE B 226 92.809 -8.726 -1.285 1.00 0.00 O ATOM 869 CB ILE B 226 92.840 -5.224 -1.126 1.00 0.00 C ATOM 870 CG1 ILE B 226 92.330 -3.940 -1.984 1.00 0.00 C ATOM 871 CG2 ILE B 226 94.382 -5.544 -1.461 1.00 0.00 C ATOM 872 CD1 ILE B 226 93.061 -2.614 -1.618 1.00 0.00 C ATOM 0 H ILE B 226 90.380 -5.263 -0.493 1.00 0.00 H new ATOM 0 HA ILE B 226 91.947 -6.728 -2.489 1.00 0.00 H new ATOM 0 HB ILE B 226 92.779 -5.000 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE B 226 92.473 -4.143 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE B 226 91.259 -3.810 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE B 226 94.991 -4.666 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE B 226 94.721 -6.381 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE B 226 94.479 -5.802 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE B 226 92.669 -1.802 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE B 226 92.897 -2.387 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE B 226 94.129 -2.725 -1.803 1.00 0.00 H new ATOM 884 N VAL B 227 92.248 -7.787 0.684 1.00 0.00 N ATOM 885 CA VAL B 227 92.694 -8.964 1.563 1.00 0.00 C ATOM 886 C VAL B 227 91.819 -10.243 1.367 1.00 0.00 C ATOM 887 O VAL B 227 92.315 -11.358 1.492 1.00 0.00 O ATOM 888 CB VAL B 227 92.748 -8.492 3.101 1.00 0.00 C ATOM 889 CG1 VAL B 227 93.762 -7.256 3.268 1.00 0.00 C ATOM 890 CG2 VAL B 227 91.293 -8.075 3.611 1.00 0.00 C ATOM 0 H VAL B 227 91.868 -7.003 1.215 1.00 0.00 H new ATOM 0 HA VAL B 227 93.695 -9.259 1.248 1.00 0.00 H new ATOM 0 HB VAL B 227 93.104 -9.327 3.704 1.00 0.00 H new ATOM 0 HG11 VAL B 227 93.789 -6.946 4.313 1.00 0.00 H new ATOM 0 HG12 VAL B 227 94.760 -7.559 2.953 1.00 0.00 H new ATOM 0 HG13 VAL B 227 93.425 -6.423 2.651 1.00 0.00 H new ATOM 0 HG21 VAL B 227 91.349 -7.759 4.653 1.00 0.00 H new ATOM 0 HG22 VAL B 227 90.916 -7.253 3.002 1.00 0.00 H new ATOM 0 HG23 VAL B 227 90.620 -8.928 3.527 1.00 0.00 H new ATOM 900 N ALA B 228 90.491 -10.049 1.164 1.00 0.00 N ATOM 901 CA ALA B 228 89.482 -11.197 1.069 1.00 0.00 C ATOM 902 C ALA B 228 89.796 -12.209 -0.080 1.00 0.00 C ATOM 903 O ALA B 228 89.613 -13.405 0.094 1.00 0.00 O ATOM 904 CB ALA B 228 88.039 -10.589 0.892 1.00 0.00 C ATOM 0 H ALA B 228 90.071 -9.125 1.060 1.00 0.00 H new ATOM 0 HA ALA B 228 89.548 -11.771 1.993 1.00 0.00 H new ATOM 0 HB1 ALA B 228 87.310 -11.396 0.823 1.00 0.00 H new ATOM 0 HB2 ALA B 228 87.802 -9.959 1.749 1.00 0.00 H new ATOM 0 HB3 ALA B 228 88.005 -9.991 -0.019 1.00 0.00 H new ATOM 910 N VAL B 229 90.236 -11.715 -1.255 1.00 0.00 N ATOM 911 CA VAL B 229 90.561 -12.612 -2.453 1.00 0.00 C ATOM 912 C VAL B 229 91.884 -13.413 -2.218 1.00 0.00 C ATOM 913 O VAL B 229 91.990 -14.544 -2.688 1.00 0.00 O ATOM 914 CB VAL B 229 90.583 -11.740 -3.805 1.00 0.00 C ATOM 915 CG1 VAL B 229 91.541 -10.481 -3.661 1.00 0.00 C ATOM 916 CG2 VAL B 229 90.987 -12.628 -5.084 1.00 0.00 C ATOM 0 H VAL B 229 90.382 -10.721 -1.429 1.00 0.00 H new ATOM 0 HA VAL B 229 89.775 -13.359 -2.565 1.00 0.00 H new ATOM 0 HB VAL B 229 89.569 -11.376 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL B 229 91.535 -9.911 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL B 229 91.191 -9.849 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL B 229 92.556 -10.818 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL B 229 90.990 -12.001 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL B 229 91.980 -13.051 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL B 229 90.265 -13.435 -5.210 1.00 0.00 H new ATOM 926 N PHE B 230 92.907 -12.825 -1.518 1.00 0.00 N ATOM 927 CA PHE B 230 94.243 -13.551 -1.280 1.00 0.00 C ATOM 928 C PHE B 230 94.078 -14.761 -0.303 1.00 0.00 C ATOM 929 O PHE B 230 94.705 -15.799 -0.509 1.00 0.00 O ATOM 930 CB PHE B 230 95.359 -12.548 -0.742 1.00 0.00 C ATOM 931 CG PHE B 230 95.863 -11.525 -1.860 1.00 0.00 C ATOM 932 CD1 PHE B 230 95.653 -10.110 -1.747 1.00 0.00 C ATOM 933 CD2 PHE B 230 96.560 -12.010 -3.019 1.00 0.00 C ATOM 934 CE1 PHE B 230 96.115 -9.229 -2.754 1.00 0.00 C ATOM 935 CE2 PHE B 230 97.015 -11.114 -4.015 1.00 0.00 C ATOM 936 CZ PHE B 230 96.792 -9.730 -3.884 1.00 0.00 C ATOM 0 H PHE B 230 92.858 -11.889 -1.115 1.00 0.00 H new ATOM 0 HA PHE B 230 94.569 -13.942 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE B 230 94.960 -11.987 0.103 1.00 0.00 H new ATOM 0 HB3 PHE B 230 96.209 -13.122 -0.372 1.00 0.00 H new ATOM 0 HD1 PHE B 230 95.137 -9.713 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE B 230 96.738 -13.069 -3.131 1.00 0.00 H new ATOM 0 HE1 PHE B 230 95.948 -8.167 -2.656 1.00 0.00 H new ATOM 0 HE2 PHE B 230 97.537 -11.494 -4.881 1.00 0.00 H new ATOM 0 HZ PHE B 230 97.140 -9.052 -4.650 1.00 0.00 H new ATOM 946 N VAL B 231 93.259 -14.615 0.781 1.00 0.00 N ATOM 947 CA VAL B 231 93.063 -15.740 1.807 1.00 0.00 C ATOM 948 C VAL B 231 92.294 -16.944 1.176 1.00 0.00 C ATOM 949 O VAL B 231 92.517 -18.084 1.561 1.00 0.00 O ATOM 950 CB VAL B 231 92.347 -15.187 3.137 1.00 0.00 C ATOM 951 CG1 VAL B 231 93.301 -14.139 3.903 1.00 0.00 C ATOM 952 CG2 VAL B 231 90.960 -14.496 2.772 1.00 0.00 C ATOM 0 H VAL B 231 92.730 -13.766 0.983 1.00 0.00 H new ATOM 0 HA VAL B 231 94.044 -16.110 2.104 1.00 0.00 H new ATOM 0 HB VAL B 231 92.158 -16.032 3.799 1.00 0.00 H new ATOM 0 HG11 VAL B 231 92.798 -13.777 4.800 1.00 0.00 H new ATOM 0 HG12 VAL B 231 94.232 -14.632 4.183 1.00 0.00 H new ATOM 0 HG13 VAL B 231 93.520 -13.298 3.245 1.00 0.00 H new ATOM 0 HG21 VAL B 231 90.487 -14.127 3.682 1.00 0.00 H new ATOM 0 HG22 VAL B 231 91.136 -13.663 2.091 1.00 0.00 H new ATOM 0 HG23 VAL B 231 90.306 -15.224 2.293 1.00 0.00 H new ATOM 962 N CYS B 232 91.378 -16.663 0.201 1.00 0.00 N ATOM 963 CA CYS B 232 90.550 -17.746 -0.497 1.00 0.00 C ATOM 964 C CYS B 232 91.467 -18.763 -1.258 1.00 0.00 C ATOM 965 O CYS B 232 91.212 -19.960 -1.247 1.00 0.00 O ATOM 966 CB CYS B 232 89.535 -17.059 -1.489 1.00 0.00 C ATOM 967 SG CYS B 232 88.339 -16.041 -0.572 1.00 0.00 S ATOM 0 H CYS B 232 91.182 -15.718 -0.129 1.00 0.00 H new ATOM 0 HA CYS B 232 89.999 -18.310 0.256 1.00 0.00 H new ATOM 0 HB2 CYS B 232 90.078 -16.439 -2.202 1.00 0.00 H new ATOM 0 HB3 CYS B 232 89.008 -17.820 -2.064 1.00 0.00 H new ATOM 0 HG CYS B 232 88.815 -14.840 -0.423 1.00 0.00 H new ATOM 973 N LYS B 233 92.525 -18.244 -1.927 1.00 0.00 N ATOM 974 CA LYS B 233 93.510 -19.093 -2.721 1.00 0.00 C ATOM 975 C LYS B 233 94.483 -19.824 -1.752 1.00 0.00 C ATOM 976 O LYS B 233 94.743 -21.012 -1.898 1.00 0.00 O ATOM 977 CB LYS B 233 94.284 -18.147 -3.739 1.00 0.00 C ATOM 978 CG LYS B 233 93.305 -17.547 -4.861 1.00 0.00 C ATOM 979 CD LYS B 233 94.080 -16.580 -5.876 1.00 0.00 C ATOM 980 CE LYS B 233 93.127 -16.039 -7.016 1.00 0.00 C ATOM 981 NZ LYS B 233 92.012 -15.270 -6.396 1.00 0.00 N ATOM 0 H LYS B 233 92.737 -17.246 -1.946 1.00 0.00 H new ATOM 0 HA LYS B 233 92.985 -19.861 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS B 233 94.752 -17.329 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS B 233 95.085 -18.709 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS B 233 92.846 -18.365 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS B 233 92.497 -16.996 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS B 233 94.502 -15.739 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS B 233 94.915 -17.118 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS B 233 93.686 -15.403 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS B 233 92.731 -16.869 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 91.127 -15.808 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 92.218 -15.110 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 91.912 -14.354 -6.878 1.00 0.00 H new ATOM 995 N SER B 234 95.013 -19.083 -0.754 1.00 0.00 N ATOM 996 CA SER B 234 95.992 -19.653 0.269 1.00 0.00 C ATOM 997 C SER B 234 95.341 -20.770 1.124 1.00 0.00 C ATOM 998 O SER B 234 96.037 -21.484 1.821 1.00 0.00 O ATOM 999 CB SER B 234 96.518 -18.504 1.177 1.00 0.00 C ATOM 1000 OG SER B 234 97.500 -19.018 2.070 1.00 0.00 O ATOM 0 H SER B 234 94.798 -18.096 -0.614 1.00 0.00 H new ATOM 0 HA SER B 234 96.827 -20.104 -0.267 1.00 0.00 H new ATOM 0 HB2 SER B 234 96.947 -17.710 0.566 1.00 0.00 H new ATOM 0 HB3 SER B 234 95.694 -18.064 1.739 1.00 0.00 H new ATOM 0 HG SER B 234 97.324 -19.967 2.239 1.00 0.00 H new ATOM 1006 N LEU B 235 93.988 -20.886 1.043 1.00 0.00 N ATOM 1007 CA LEU B 235 93.166 -21.925 1.803 1.00 0.00 C ATOM 1008 C LEU B 235 93.051 -23.227 0.951 1.00 0.00 C ATOM 1009 O LEU B 235 93.007 -24.321 1.488 1.00 0.00 O ATOM 1010 CB LEU B 235 91.740 -21.292 2.099 1.00 0.00 C ATOM 1011 CG LEU B 235 90.714 -22.247 2.914 1.00 0.00 C ATOM 1012 CD1 LEU B 235 91.248 -22.611 4.363 1.00 0.00 C ATOM 1013 CD2 LEU B 235 89.272 -21.561 3.010 1.00 0.00 C ATOM 0 H LEU B 235 93.419 -20.275 0.458 1.00 0.00 H new ATOM 0 HA LEU B 235 93.643 -22.194 2.746 1.00 0.00 H new ATOM 0 HB2 LEU B 235 91.880 -20.371 2.664 1.00 0.00 H new ATOM 0 HB3 LEU B 235 91.279 -21.017 1.150 1.00 0.00 H new ATOM 0 HG LEU B 235 90.634 -23.180 2.357 1.00 0.00 H new ATOM 0 HD11 LEU B 235 90.525 -23.252 4.867 1.00 0.00 H new ATOM 0 HD12 LEU B 235 92.200 -23.135 4.279 1.00 0.00 H new ATOM 0 HD13 LEU B 235 91.387 -21.697 4.940 1.00 0.00 H new ATOM 0 HD21 LEU B 235 88.594 -22.214 3.560 1.00 0.00 H new ATOM 0 HD22 LEU B 235 89.357 -20.606 3.529 1.00 0.00 H new ATOM 0 HD23 LEU B 235 88.881 -21.394 2.006 1.00 0.00 H new ATOM 1025 N LEU B 236 92.947 -23.064 -0.397 1.00 0.00 N ATOM 1026 CA LEU B 236 92.771 -24.227 -1.395 1.00 0.00 C ATOM 1027 C LEU B 236 94.161 -24.845 -1.777 1.00 0.00 C ATOM 1028 O LEU B 236 94.256 -26.014 -2.107 1.00 0.00 O ATOM 1029 CB LEU B 236 91.993 -23.659 -2.694 1.00 0.00 C ATOM 1030 CG LEU B 236 91.042 -24.728 -3.474 1.00 0.00 C ATOM 1031 CD1 LEU B 236 91.800 -26.069 -3.822 1.00 0.00 C ATOM 1032 CD2 LEU B 236 89.678 -25.020 -2.693 1.00 0.00 C ATOM 0 H LEU B 236 92.979 -22.149 -0.846 1.00 0.00 H new ATOM 0 HA LEU B 236 92.186 -25.029 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU B 236 91.379 -22.813 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU B 236 92.732 -23.277 -3.398 1.00 0.00 H new ATOM 0 HG LEU B 236 90.776 -24.253 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU B 236 91.122 -26.746 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU B 236 92.653 -25.849 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU B 236 92.149 -26.539 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU B 236 89.083 -25.738 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU B 236 89.903 -25.429 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU B 236 89.117 -24.092 -2.581 1.00 0.00 H new ATOM 1214 N LEU C 211 88.744 11.861 17.108 1.00 0.00 N ATOM 1215 CA LEU C 211 88.622 10.662 16.169 1.00 0.00 C ATOM 1216 C LEU C 211 88.273 11.105 14.723 1.00 0.00 C ATOM 1217 O LEU C 211 88.167 10.288 13.844 1.00 0.00 O ATOM 1218 CB LEU C 211 87.568 9.585 16.744 1.00 0.00 C ATOM 1219 CG LEU C 211 87.750 8.069 16.155 1.00 0.00 C ATOM 1220 CD1 LEU C 211 88.882 7.258 16.925 1.00 0.00 C ATOM 1221 CD2 LEU C 211 86.375 7.264 16.172 1.00 0.00 C ATOM 0 HA LEU C 211 89.594 10.172 16.121 1.00 0.00 H new ATOM 0 HB2 LEU C 211 87.659 9.552 17.830 1.00 0.00 H new ATOM 0 HB3 LEU C 211 86.558 9.929 16.519 1.00 0.00 H new ATOM 0 HG LEU C 211 88.069 8.176 15.118 1.00 0.00 H new ATOM 0 HD11 LEU C 211 88.967 6.258 16.499 1.00 0.00 H new ATOM 0 HD12 LEU C 211 89.835 7.777 16.823 1.00 0.00 H new ATOM 0 HD13 LEU C 211 88.621 7.182 17.981 1.00 0.00 H new ATOM 0 HD21 LEU C 211 86.535 6.262 15.774 1.00 0.00 H new ATOM 0 HD22 LEU C 211 86.007 7.193 17.196 1.00 0.00 H new ATOM 0 HD23 LEU C 211 85.641 7.785 15.558 1.00 0.00 H new ATOM 1233 N SER C 212 88.104 12.426 14.496 1.00 0.00 N ATOM 1234 CA SER C 212 87.777 12.996 13.121 1.00 0.00 C ATOM 1235 C SER C 212 88.999 12.881 12.170 1.00 0.00 C ATOM 1236 O SER C 212 88.849 12.952 10.967 1.00 0.00 O ATOM 1237 CB SER C 212 87.321 14.482 13.298 1.00 0.00 C ATOM 1238 OG SER C 212 86.137 14.507 14.087 1.00 0.00 O ATOM 0 H SER C 212 88.183 13.134 15.226 1.00 0.00 H new ATOM 0 HA SER C 212 86.969 12.425 12.663 1.00 0.00 H new ATOM 0 HB2 SER C 212 88.108 15.063 13.779 1.00 0.00 H new ATOM 0 HB3 SER C 212 87.136 14.939 12.326 1.00 0.00 H new ATOM 0 HG SER C 212 85.843 15.434 14.206 1.00 0.00 H new ATOM 1244 N GLY C 213 90.203 12.744 12.765 1.00 0.00 N ATOM 1245 CA GLY C 213 91.511 12.659 12.003 1.00 0.00 C ATOM 1246 C GLY C 213 91.703 11.332 11.242 1.00 0.00 C ATOM 1247 O GLY C 213 92.058 11.338 10.066 1.00 0.00 O ATOM 0 H GLY C 213 90.318 12.688 13.777 1.00 0.00 H new ATOM 0 HA2 GLY C 213 91.561 13.485 11.293 1.00 0.00 H new ATOM 0 HA3 GLY C 213 92.337 12.789 12.702 1.00 0.00 H new ATOM 1251 N ILE C 214 91.503 10.172 11.938 1.00 0.00 N ATOM 1252 CA ILE C 214 91.706 8.784 11.310 1.00 0.00 C ATOM 1253 C ILE C 214 90.722 8.555 10.119 1.00 0.00 C ATOM 1254 O ILE C 214 91.093 7.927 9.133 1.00 0.00 O ATOM 1255 CB ILE C 214 91.603 7.646 12.437 1.00 0.00 C ATOM 1256 CG1 ILE C 214 91.793 6.146 11.844 1.00 0.00 C ATOM 1257 CG2 ILE C 214 90.226 7.761 13.223 1.00 0.00 C ATOM 1258 CD1 ILE C 214 93.146 5.918 11.107 1.00 0.00 C ATOM 0 H ILE C 214 91.208 10.146 12.914 1.00 0.00 H new ATOM 0 HA ILE C 214 92.709 8.726 10.887 1.00 0.00 H new ATOM 0 HB ILE C 214 92.429 7.817 13.128 1.00 0.00 H new ATOM 0 HG12 ILE C 214 91.713 5.431 12.663 1.00 0.00 H new ATOM 0 HG13 ILE C 214 90.976 5.934 11.154 1.00 0.00 H new ATOM 0 HG21 ILE C 214 90.175 6.981 13.983 1.00 0.00 H new ATOM 0 HG22 ILE C 214 90.160 8.738 13.701 1.00 0.00 H new ATOM 0 HG23 ILE C 214 89.397 7.642 12.525 1.00 0.00 H new ATOM 0 HD11 ILE C 214 93.193 4.892 10.742 1.00 0.00 H new ATOM 0 HD12 ILE C 214 93.222 6.607 10.265 1.00 0.00 H new ATOM 0 HD13 ILE C 214 93.971 6.096 11.797 1.00 0.00 H new ATOM 1270 N ILE C 215 89.458 9.068 10.224 1.00 0.00 N ATOM 1271 CA ILE C 215 88.404 8.903 9.115 1.00 0.00 C ATOM 1272 C ILE C 215 88.903 9.544 7.770 1.00 0.00 C ATOM 1273 O ILE C 215 88.598 9.040 6.702 1.00 0.00 O ATOM 1274 CB ILE C 215 87.004 9.518 9.596 1.00 0.00 C ATOM 1275 CG1 ILE C 215 86.549 8.879 11.016 1.00 0.00 C ATOM 1276 CG2 ILE C 215 85.843 9.321 8.504 1.00 0.00 C ATOM 1277 CD1 ILE C 215 86.341 7.331 11.010 1.00 0.00 C ATOM 0 H ILE C 215 89.128 9.590 11.036 1.00 0.00 H new ATOM 0 HA ILE C 215 88.251 7.841 8.920 1.00 0.00 H new ATOM 0 HB ILE C 215 87.159 10.590 9.721 1.00 0.00 H new ATOM 0 HG12 ILE C 215 87.301 9.126 11.765 1.00 0.00 H new ATOM 0 HG13 ILE C 215 85.619 9.354 11.329 1.00 0.00 H new ATOM 0 HG21 ILE C 215 84.915 9.754 8.877 1.00 0.00 H new ATOM 0 HG22 ILE C 215 86.128 9.817 7.576 1.00 0.00 H new ATOM 0 HG23 ILE C 215 85.697 8.257 8.316 1.00 0.00 H new ATOM 0 HD11 ILE C 215 86.038 7.001 12.004 1.00 0.00 H new ATOM 0 HD12 ILE C 215 85.566 7.071 10.289 1.00 0.00 H new ATOM 0 HD13 ILE C 215 87.274 6.840 10.733 1.00 0.00 H new ATOM 1289 N ILE C 216 89.658 10.670 7.845 1.00 0.00 N ATOM 1290 CA ILE C 216 90.222 11.373 6.604 1.00 0.00 C ATOM 1291 C ILE C 216 91.354 10.489 5.977 1.00 0.00 C ATOM 1292 O ILE C 216 91.487 10.390 4.765 1.00 0.00 O ATOM 1293 CB ILE C 216 90.743 12.840 7.016 1.00 0.00 C ATOM 1294 CG1 ILE C 216 89.512 13.706 7.623 1.00 0.00 C ATOM 1295 CG2 ILE C 216 91.407 13.610 5.767 1.00 0.00 C ATOM 1296 CD1 ILE C 216 89.956 15.067 8.241 1.00 0.00 C ATOM 0 H ILE C 216 89.902 11.125 8.725 1.00 0.00 H new ATOM 0 HA ILE C 216 89.449 11.500 5.846 1.00 0.00 H new ATOM 0 HB ILE C 216 91.516 12.724 7.775 1.00 0.00 H new ATOM 0 HG12 ILE C 216 88.786 13.894 6.832 1.00 0.00 H new ATOM 0 HG13 ILE C 216 89.005 13.117 8.387 1.00 0.00 H new ATOM 0 HG21 ILE C 216 91.746 14.596 6.086 1.00 0.00 H new ATOM 0 HG22 ILE C 216 92.257 13.037 5.396 1.00 0.00 H new ATOM 0 HG23 ILE C 216 90.669 13.719 4.973 1.00 0.00 H new ATOM 0 HD11 ILE C 216 89.083 15.593 8.627 1.00 0.00 H new ATOM 0 HD12 ILE C 216 90.659 14.885 9.054 1.00 0.00 H new ATOM 0 HD13 ILE C 216 90.436 15.675 7.475 1.00 0.00 H new ATOM 1308 N TYR C 217 92.204 9.935 6.867 1.00 0.00 N ATOM 1309 CA TYR C 217 93.437 9.115 6.493 1.00 0.00 C ATOM 1310 C TYR C 217 93.136 7.745 5.794 1.00 0.00 C ATOM 1311 O TYR C 217 93.853 7.370 4.872 1.00 0.00 O ATOM 1312 CB TYR C 217 94.291 8.903 7.810 1.00 0.00 C ATOM 1313 CG TYR C 217 95.692 8.197 7.517 1.00 0.00 C ATOM 1314 CD1 TYR C 217 95.826 6.770 7.571 1.00 0.00 C ATOM 1315 CD2 TYR C 217 96.847 8.974 7.176 1.00 0.00 C ATOM 1316 CE1 TYR C 217 97.073 6.162 7.298 1.00 0.00 C ATOM 1317 CE2 TYR C 217 98.081 8.336 6.909 1.00 0.00 C ATOM 1318 CZ TYR C 217 98.186 6.943 6.971 1.00 0.00 C ATOM 1319 OH TYR C 217 99.398 6.333 6.706 1.00 0.00 O ATOM 0 H TYR C 217 92.078 10.028 7.875 1.00 0.00 H new ATOM 0 HA TYR C 217 93.987 9.678 5.739 1.00 0.00 H new ATOM 0 HB2 TYR C 217 94.466 9.868 8.286 1.00 0.00 H new ATOM 0 HB3 TYR C 217 93.722 8.297 8.516 1.00 0.00 H new ATOM 0 HD1 TYR C 217 94.972 6.158 7.821 1.00 0.00 H new ATOM 0 HD2 TYR C 217 96.775 10.050 7.123 1.00 0.00 H new ATOM 0 HE1 TYR C 217 97.167 5.087 7.342 1.00 0.00 H new ATOM 0 HE2 TYR C 217 98.948 8.929 6.656 1.00 0.00 H new ATOM 0 HH TYR C 217 100.069 7.016 6.495 1.00 0.00 H new ATOM 1329 N VAL C 218 92.128 6.968 6.278 1.00 0.00 N ATOM 1330 CA VAL C 218 91.821 5.575 5.694 1.00 0.00 C ATOM 1331 C VAL C 218 91.490 5.632 4.169 1.00 0.00 C ATOM 1332 O VAL C 218 91.773 4.685 3.444 1.00 0.00 O ATOM 1333 CB VAL C 218 90.658 4.874 6.553 1.00 0.00 C ATOM 1334 CG1 VAL C 218 89.334 5.754 6.547 1.00 0.00 C ATOM 1335 CG2 VAL C 218 90.349 3.377 6.048 1.00 0.00 C ATOM 0 H VAL C 218 91.516 7.245 7.046 1.00 0.00 H new ATOM 0 HA VAL C 218 92.718 4.961 5.771 1.00 0.00 H new ATOM 0 HB VAL C 218 91.020 4.802 7.579 1.00 0.00 H new ATOM 0 HG11 VAL C 218 88.564 5.256 7.136 1.00 0.00 H new ATOM 0 HG12 VAL C 218 89.545 6.732 6.979 1.00 0.00 H new ATOM 0 HG13 VAL C 218 88.984 5.878 5.522 1.00 0.00 H new ATOM 0 HG21 VAL C 218 89.557 2.944 6.658 1.00 0.00 H new ATOM 0 HG22 VAL C 218 90.031 3.403 5.006 1.00 0.00 H new ATOM 0 HG23 VAL C 218 91.250 2.770 6.138 1.00 0.00 H new ATOM 1345 N THR C 219 90.843 6.735 3.716 1.00 0.00 N ATOM 1346 CA THR C 219 90.413 6.895 2.258 1.00 0.00 C ATOM 1347 C THR C 219 91.621 7.019 1.290 1.00 0.00 C ATOM 1348 O THR C 219 91.693 6.308 0.292 1.00 0.00 O ATOM 1349 CB THR C 219 89.504 8.196 2.117 1.00 0.00 C ATOM 1350 OG1 THR C 219 90.322 9.360 2.258 1.00 0.00 O ATOM 1351 CG2 THR C 219 88.386 8.264 3.219 1.00 0.00 C ATOM 0 H THR C 219 90.600 7.528 4.309 1.00 0.00 H new ATOM 0 HA THR C 219 89.859 5.997 1.984 1.00 0.00 H new ATOM 0 HB THR C 219 89.029 8.151 1.137 1.00 0.00 H new ATOM 0 HG1 THR C 219 90.571 9.473 3.199 1.00 0.00 H new ATOM 0 HG21 THR C 219 87.793 9.168 3.081 1.00 0.00 H new ATOM 0 HG22 THR C 219 87.740 7.390 3.136 1.00 0.00 H new ATOM 0 HG23 THR C 219 88.848 8.281 4.206 1.00 0.00 H new ATOM 1359 N VAL C 220 92.579 7.934 1.610 1.00 0.00 N ATOM 1360 CA VAL C 220 93.824 8.149 0.755 1.00 0.00 C ATOM 1361 C VAL C 220 94.784 6.940 0.913 1.00 0.00 C ATOM 1362 O VAL C 220 95.382 6.498 -0.053 1.00 0.00 O ATOM 1363 CB VAL C 220 94.507 9.555 1.123 1.00 0.00 C ATOM 1364 CG1 VAL C 220 94.908 9.621 2.662 1.00 0.00 C ATOM 1365 CG2 VAL C 220 95.775 9.864 0.186 1.00 0.00 C ATOM 0 H VAL C 220 92.533 8.533 2.434 1.00 0.00 H new ATOM 0 HA VAL C 220 93.554 8.202 -0.300 1.00 0.00 H new ATOM 0 HB VAL C 220 93.763 10.330 0.936 1.00 0.00 H new ATOM 0 HG11 VAL C 220 95.368 10.586 2.877 1.00 0.00 H new ATOM 0 HG12 VAL C 220 94.016 9.499 3.276 1.00 0.00 H new ATOM 0 HG13 VAL C 220 95.616 8.823 2.888 1.00 0.00 H new ATOM 0 HG21 VAL C 220 96.209 10.824 0.466 1.00 0.00 H new ATOM 0 HG22 VAL C 220 96.520 9.078 0.311 1.00 0.00 H new ATOM 0 HG23 VAL C 220 95.457 9.900 -0.856 1.00 0.00 H new ATOM 1375 N ALA C 221 94.912 6.408 2.164 1.00 0.00 N ATOM 1376 CA ALA C 221 95.825 5.223 2.474 1.00 0.00 C ATOM 1377 C ALA C 221 95.461 3.984 1.601 1.00 0.00 C ATOM 1378 O ALA C 221 96.333 3.214 1.218 1.00 0.00 O ATOM 1379 CB ALA C 221 95.729 4.884 4.006 1.00 0.00 C ATOM 0 H ALA C 221 94.409 6.763 2.977 1.00 0.00 H new ATOM 0 HA ALA C 221 96.852 5.493 2.230 1.00 0.00 H new ATOM 0 HB1 ALA C 221 96.379 4.039 4.233 1.00 0.00 H new ATOM 0 HB2 ALA C 221 96.042 5.749 4.590 1.00 0.00 H new ATOM 0 HB3 ALA C 221 94.700 4.629 4.258 1.00 0.00 H new ATOM 1385 N ALA C 222 94.137 3.811 1.313 1.00 0.00 N ATOM 1386 CA ALA C 222 93.619 2.648 0.481 1.00 0.00 C ATOM 1387 C ALA C 222 94.186 2.698 -0.972 1.00 0.00 C ATOM 1388 O ALA C 222 94.516 1.676 -1.548 1.00 0.00 O ATOM 1389 CB ALA C 222 92.046 2.702 0.481 1.00 0.00 C ATOM 0 H ALA C 222 93.406 4.446 1.634 1.00 0.00 H new ATOM 0 HA ALA C 222 93.954 1.706 0.916 1.00 0.00 H new ATOM 0 HB1 ALA C 222 91.654 1.875 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA C 222 91.679 2.622 1.504 1.00 0.00 H new ATOM 0 HB3 ALA C 222 91.714 3.647 0.050 1.00 0.00 H new ATOM 1395 N VAL C 223 94.279 3.928 -1.537 1.00 0.00 N ATOM 1396 CA VAL C 223 94.804 4.172 -2.951 1.00 0.00 C ATOM 1397 C VAL C 223 96.337 3.896 -2.997 1.00 0.00 C ATOM 1398 O VAL C 223 96.847 3.315 -3.946 1.00 0.00 O ATOM 1399 CB VAL C 223 94.447 5.678 -3.388 1.00 0.00 C ATOM 1400 CG1 VAL C 223 94.916 5.993 -4.893 1.00 0.00 C ATOM 1401 CG2 VAL C 223 92.867 5.937 -3.241 1.00 0.00 C ATOM 0 H VAL C 223 94.003 4.782 -1.053 1.00 0.00 H new ATOM 0 HA VAL C 223 94.330 3.492 -3.659 1.00 0.00 H new ATOM 0 HB VAL C 223 94.991 6.350 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL C 223 94.656 7.020 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL C 223 95.995 5.862 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL C 223 94.416 5.311 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL C 223 92.637 6.960 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL C 223 92.323 5.241 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL C 223 92.568 5.786 -2.204 1.00 0.00 H new ATOM 1411 N VAL C 224 97.048 4.347 -1.933 1.00 0.00 N ATOM 1412 CA VAL C 224 98.559 4.185 -1.789 1.00 0.00 C ATOM 1413 C VAL C 224 98.946 2.674 -1.749 1.00 0.00 C ATOM 1414 O VAL C 224 100.009 2.297 -2.222 1.00 0.00 O ATOM 1415 CB VAL C 224 99.019 4.982 -0.471 1.00 0.00 C ATOM 1416 CG1 VAL C 224 100.554 4.732 -0.080 1.00 0.00 C ATOM 1417 CG2 VAL C 224 98.763 6.561 -0.664 1.00 0.00 C ATOM 0 H VAL C 224 96.617 4.832 -1.146 1.00 0.00 H new ATOM 0 HA VAL C 224 99.081 4.605 -2.649 1.00 0.00 H new ATOM 0 HB VAL C 224 98.415 4.595 0.350 1.00 0.00 H new ATOM 0 HG11 VAL C 224 100.798 5.299 0.818 1.00 0.00 H new ATOM 0 HG12 VAL C 224 100.713 3.670 0.107 1.00 0.00 H new ATOM 0 HG13 VAL C 224 101.196 5.056 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL C 224 99.078 7.093 0.234 1.00 0.00 H new ATOM 0 HG22 VAL C 224 99.336 6.921 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL C 224 97.702 6.739 -0.838 1.00 0.00 H new ATOM 1427 N LEU C 225 98.068 1.830 -1.148 1.00 0.00 N ATOM 1428 CA LEU C 225 98.317 0.329 -1.005 1.00 0.00 C ATOM 1429 C LEU C 225 98.322 -0.386 -2.390 1.00 0.00 C ATOM 1430 O LEU C 225 99.071 -1.334 -2.590 1.00 0.00 O ATOM 1431 CB LEU C 225 97.209 -0.259 -0.034 1.00 0.00 C ATOM 1432 CG LEU C 225 97.308 -1.854 0.244 1.00 0.00 C ATOM 1433 CD1 LEU C 225 98.713 -2.281 0.844 1.00 0.00 C ATOM 1434 CD2 LEU C 225 96.122 -2.325 1.206 1.00 0.00 C ATOM 0 H LEU C 225 97.181 2.138 -0.750 1.00 0.00 H new ATOM 0 HA LEU C 225 99.305 0.153 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU C 225 97.271 0.264 0.920 1.00 0.00 H new ATOM 0 HB3 LEU C 225 96.227 -0.040 -0.455 1.00 0.00 H new ATOM 0 HG LEU C 225 97.210 -2.354 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU C 225 98.725 -3.358 1.011 1.00 0.00 H new ATOM 0 HD12 LEU C 225 99.504 -2.013 0.144 1.00 0.00 H new ATOM 0 HD13 LEU C 225 98.876 -1.765 1.790 1.00 0.00 H new ATOM 0 HD21 LEU C 225 96.202 -3.398 1.383 1.00 0.00 H new ATOM 0 HD22 LEU C 225 96.191 -1.794 2.155 1.00 0.00 H new ATOM 0 HD23 LEU C 225 95.163 -2.105 0.736 1.00 0.00 H new ATOM 1446 N ILE C 226 97.443 0.066 -3.319 1.00 0.00 N ATOM 1447 CA ILE C 226 97.301 -0.558 -4.708 1.00 0.00 C ATOM 1448 C ILE C 226 98.560 -0.263 -5.589 1.00 0.00 C ATOM 1449 O ILE C 226 99.122 -1.166 -6.191 1.00 0.00 O ATOM 1450 CB ILE C 226 95.947 -0.010 -5.391 1.00 0.00 C ATOM 1451 CG1 ILE C 226 94.670 -0.383 -4.459 1.00 0.00 C ATOM 1452 CG2 ILE C 226 95.749 -0.603 -6.876 1.00 0.00 C ATOM 1453 CD1 ILE C 226 93.340 0.279 -4.933 1.00 0.00 C ATOM 0 H ILE C 226 96.815 0.853 -3.157 1.00 0.00 H new ATOM 0 HA ILE C 226 97.234 -1.642 -4.617 1.00 0.00 H new ATOM 0 HB ILE C 226 96.027 1.074 -5.478 1.00 0.00 H new ATOM 0 HG12 ILE C 226 94.543 -1.466 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE C 226 94.875 -0.074 -3.434 1.00 0.00 H new ATOM 0 HG21 ILE C 226 94.826 -0.211 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE C 226 96.592 -0.309 -7.501 1.00 0.00 H new ATOM 0 HG23 ILE C 226 95.694 -1.691 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE C 226 92.530 -0.013 -4.265 1.00 0.00 H new ATOM 0 HD12 ILE C 226 93.448 1.364 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE C 226 93.111 -0.050 -5.947 1.00 0.00 H new ATOM 1465 N VAL C 227 98.928 1.032 -5.732 1.00 0.00 N ATOM 1466 CA VAL C 227 100.095 1.462 -6.619 1.00 0.00 C ATOM 1467 C VAL C 227 101.488 0.999 -6.086 1.00 0.00 C ATOM 1468 O VAL C 227 102.357 0.630 -6.860 1.00 0.00 O ATOM 1469 CB VAL C 227 100.020 3.049 -6.871 1.00 0.00 C ATOM 1470 CG1 VAL C 227 98.602 3.441 -7.523 1.00 0.00 C ATOM 1471 CG2 VAL C 227 100.228 3.849 -5.506 1.00 0.00 C ATOM 0 H VAL C 227 98.457 1.806 -5.263 1.00 0.00 H new ATOM 0 HA VAL C 227 99.993 0.951 -7.576 1.00 0.00 H new ATOM 0 HB VAL C 227 100.819 3.323 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL C 227 98.563 4.518 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL C 227 98.483 2.923 -8.474 1.00 0.00 H new ATOM 0 HG13 VAL C 227 97.798 3.149 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL C 227 100.173 4.920 -5.700 1.00 0.00 H new ATOM 0 HG22 VAL C 227 99.449 3.568 -4.797 1.00 0.00 H new ATOM 0 HG23 VAL C 227 101.204 3.606 -5.087 1.00 0.00 H new ATOM 1481 N ALA C 228 101.698 1.114 -4.757 1.00 0.00 N ATOM 1482 CA ALA C 228 103.034 0.802 -4.086 1.00 0.00 C ATOM 1483 C ALA C 228 103.526 -0.664 -4.288 1.00 0.00 C ATOM 1484 O ALA C 228 104.716 -0.886 -4.496 1.00 0.00 O ATOM 1485 CB ALA C 228 102.905 1.145 -2.553 1.00 0.00 C ATOM 0 H ALA C 228 100.976 1.419 -4.105 1.00 0.00 H new ATOM 0 HA ALA C 228 103.795 1.417 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA C 228 103.849 0.930 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA C 228 102.664 2.202 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA C 228 102.113 0.541 -2.110 1.00 0.00 H new ATOM 1491 N VAL C 229 102.610 -1.659 -4.177 1.00 0.00 N ATOM 1492 CA VAL C 229 102.991 -3.134 -4.305 1.00 0.00 C ATOM 1493 C VAL C 229 103.575 -3.475 -5.720 1.00 0.00 C ATOM 1494 O VAL C 229 104.495 -4.287 -5.785 1.00 0.00 O ATOM 1495 CB VAL C 229 101.754 -4.071 -3.891 1.00 0.00 C ATOM 1496 CG1 VAL C 229 100.467 -3.729 -4.750 1.00 0.00 C ATOM 1497 CG2 VAL C 229 102.121 -5.635 -3.997 1.00 0.00 C ATOM 0 H VAL C 229 101.618 -1.498 -4.003 1.00 0.00 H new ATOM 0 HA VAL C 229 103.800 -3.339 -3.604 1.00 0.00 H new ATOM 0 HB VAL C 229 101.529 -3.863 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL C 229 99.645 -4.379 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL C 229 100.186 -2.689 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL C 229 100.683 -3.884 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL C 229 101.256 -6.232 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL C 229 102.401 -5.874 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL C 229 102.955 -5.859 -3.332 1.00 0.00 H new ATOM 1507 N PHE C 230 103.063 -2.868 -6.864 1.00 0.00 N ATOM 1508 CA PHE C 230 103.654 -3.198 -8.256 1.00 0.00 C ATOM 1509 C PHE C 230 105.048 -2.529 -8.408 1.00 0.00 C ATOM 1510 O PHE C 230 105.952 -3.104 -8.999 1.00 0.00 O ATOM 1511 CB PHE C 230 102.645 -2.889 -9.463 1.00 0.00 C ATOM 1512 CG PHE C 230 102.579 -1.376 -9.965 1.00 0.00 C ATOM 1513 CD1 PHE C 230 101.426 -0.553 -9.722 1.00 0.00 C ATOM 1514 CD2 PHE C 230 103.654 -0.813 -10.738 1.00 0.00 C ATOM 1515 CE1 PHE C 230 101.366 0.772 -10.222 1.00 0.00 C ATOM 1516 CE2 PHE C 230 103.579 0.514 -11.223 1.00 0.00 C ATOM 1517 CZ PHE C 230 102.440 1.303 -10.965 1.00 0.00 C ATOM 0 H PHE C 230 102.298 -2.194 -6.869 1.00 0.00 H new ATOM 0 HA PHE C 230 103.801 -4.276 -8.319 1.00 0.00 H new ATOM 0 HB2 PHE C 230 102.922 -3.518 -10.309 1.00 0.00 H new ATOM 0 HB3 PHE C 230 101.644 -3.191 -9.156 1.00 0.00 H new ATOM 0 HD1 PHE C 230 100.597 -0.948 -9.153 1.00 0.00 H new ATOM 0 HD2 PHE C 230 104.528 -1.410 -10.950 1.00 0.00 H new ATOM 0 HE1 PHE C 230 100.492 1.378 -10.033 1.00 0.00 H new ATOM 0 HE2 PHE C 230 104.399 0.924 -11.794 1.00 0.00 H new ATOM 0 HZ PHE C 230 102.390 2.316 -11.337 1.00 0.00 H new ATOM 1527 N VAL C 231 105.210 -1.297 -7.844 1.00 0.00 N ATOM 1528 CA VAL C 231 106.533 -0.523 -7.884 1.00 0.00 C ATOM 1529 C VAL C 231 107.590 -1.242 -6.992 1.00 0.00 C ATOM 1530 O VAL C 231 108.778 -1.183 -7.270 1.00 0.00 O ATOM 1531 CB VAL C 231 106.275 0.996 -7.434 1.00 0.00 C ATOM 1532 CG1 VAL C 231 107.631 1.860 -7.395 1.00 0.00 C ATOM 1533 CG2 VAL C 231 105.218 1.691 -8.427 1.00 0.00 C ATOM 0 H VAL C 231 104.462 -0.804 -7.356 1.00 0.00 H new ATOM 0 HA VAL C 231 106.932 -0.500 -8.898 1.00 0.00 H new ATOM 0 HB VAL C 231 105.873 0.969 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL C 231 107.404 2.880 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL C 231 108.328 1.412 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL C 231 108.082 1.874 -8.387 1.00 0.00 H new ATOM 0 HG21 VAL C 231 105.049 2.721 -8.115 1.00 0.00 H new ATOM 0 HG22 VAL C 231 105.612 1.680 -9.443 1.00 0.00 H new ATOM 0 HG23 VAL C 231 104.276 1.143 -8.397 1.00 0.00 H new ATOM 1543 N CYS C 232 107.120 -1.896 -5.896 1.00 0.00 N ATOM 1544 CA CYS C 232 108.024 -2.630 -4.904 1.00 0.00 C ATOM 1545 C CYS C 232 108.817 -3.776 -5.605 1.00 0.00 C ATOM 1546 O CYS C 232 109.976 -4.004 -5.315 1.00 0.00 O ATOM 1547 CB CYS C 232 107.141 -3.185 -3.724 1.00 0.00 C ATOM 1548 SG CYS C 232 108.169 -3.910 -2.403 1.00 0.00 S ATOM 0 H CYS C 232 106.129 -1.943 -5.658 1.00 0.00 H new ATOM 0 HA CYS C 232 108.761 -1.934 -4.504 1.00 0.00 H new ATOM 0 HB2 CYS C 232 106.533 -2.379 -3.313 1.00 0.00 H new ATOM 0 HB3 CYS C 232 106.453 -3.939 -4.106 1.00 0.00 H new ATOM 0 HG CYS C 232 107.403 -4.353 -1.451 1.00 0.00 H new ATOM 1554 N LYS C 233 108.140 -4.469 -6.550 1.00 0.00 N ATOM 1555 CA LYS C 233 108.730 -5.624 -7.363 1.00 0.00 C ATOM 1556 C LYS C 233 110.085 -5.233 -8.013 1.00 0.00 C ATOM 1557 O LYS C 233 110.903 -6.091 -8.303 1.00 0.00 O ATOM 1558 CB LYS C 233 107.648 -6.070 -8.433 1.00 0.00 C ATOM 1559 CG LYS C 233 108.076 -7.360 -9.285 1.00 0.00 C ATOM 1560 CD LYS C 233 106.910 -7.821 -10.284 1.00 0.00 C ATOM 1561 CE LYS C 233 107.344 -9.059 -11.167 1.00 0.00 C ATOM 1562 NZ LYS C 233 108.487 -8.656 -12.034 1.00 0.00 N ATOM 0 H LYS C 233 107.170 -4.265 -6.790 1.00 0.00 H new ATOM 0 HA LYS C 233 108.957 -6.467 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS C 233 106.709 -6.279 -7.921 1.00 0.00 H new ATOM 0 HB3 LYS C 233 107.461 -5.241 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS C 233 108.978 -7.137 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS C 233 108.321 -8.179 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS C 233 106.021 -8.079 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS C 233 106.639 -6.989 -10.934 1.00 0.00 H new ATOM 0 HE2 LYS C 233 107.631 -9.895 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS C 233 106.508 -9.397 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS C 233 108.638 -9.378 -12.767 1.00 0.00 H new ATOM 0 HZ2 LYS C 233 108.275 -7.743 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS C 233 109.346 -8.565 -11.455 1.00 0.00 H new