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 180:sc= 0 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 232 CYS SG : rot 72:sc= 0.842 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 SER OG : rot 53:sc= 1.3 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 217 TYR OH : rot 180:sc= 0 USER MOD Single : B 219 THR OG1 : rot -75:sc= 0.883 USER MOD Single : B 232 CYS SG : rot 180:sc= 0 USER MOD Single : B 233 LYS NZ :NH3+ -169:sc= -0.0074 (180deg=-0.178) USER MOD Single : B 234 SER OG : rot 180:sc= 0 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 -67:sc= 0.296 USER MOD Single : C 232 CYS SG : rot -24:sc= 1.04 USER MOD Single : C 233 LYS NZ :NH3+ -169:sc=-0.00345 (180deg=-0.154) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 212 88.552 20.578 -1.876 1.00 0.00 N ATOM 72 CA SER A 212 87.330 20.218 -1.022 1.00 0.00 C ATOM 73 C SER A 212 86.444 19.139 -1.692 1.00 0.00 C ATOM 74 O SER A 212 85.869 18.308 -1.016 1.00 0.00 O ATOM 75 CB SER A 212 86.480 21.492 -0.739 1.00 0.00 C ATOM 76 OG SER A 212 85.422 21.166 0.157 1.00 0.00 O ATOM 0 HA SER A 212 87.703 19.805 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 212 87.107 22.273 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 212 86.074 21.886 -1.671 1.00 0.00 H new ATOM 0 HG SER A 212 84.887 21.967 0.337 1.00 0.00 H new ATOM 82 N GLY A 213 86.378 19.196 -3.036 1.00 0.00 N ATOM 83 CA GLY A 213 85.576 18.226 -3.881 1.00 0.00 C ATOM 84 C GLY A 213 86.258 16.847 -3.947 1.00 0.00 C ATOM 85 O GLY A 213 85.609 15.815 -3.870 1.00 0.00 O ATOM 0 H GLY A 213 86.868 19.903 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 213 84.574 18.119 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 213 85.461 18.626 -4.888 1.00 0.00 H new ATOM 89 N ILE A 214 87.604 16.868 -4.111 1.00 0.00 N ATOM 90 CA ILE A 214 88.475 15.618 -4.229 1.00 0.00 C ATOM 91 C ILE A 214 88.312 14.703 -2.967 1.00 0.00 C ATOM 92 O ILE A 214 88.268 13.482 -3.096 1.00 0.00 O ATOM 93 CB ILE A 214 89.985 16.080 -4.489 1.00 0.00 C ATOM 94 CG1 ILE A 214 90.080 17.055 -5.793 1.00 0.00 C ATOM 95 CG2 ILE A 214 90.991 14.847 -4.646 1.00 0.00 C ATOM 96 CD1 ILE A 214 89.625 16.404 -7.138 1.00 0.00 C ATOM 0 H ILE A 214 88.137 17.736 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 214 88.159 15.005 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 214 90.293 16.636 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 214 89.471 17.941 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 214 91.111 17.393 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 214 92.000 15.221 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 214 90.978 14.249 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 214 90.682 14.230 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 214 89.724 17.130 -7.945 1.00 0.00 H new ATOM 0 HD12 ILE A 214 90.249 15.536 -7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 214 88.584 16.092 -7.057 1.00 0.00 H new ATOM 108 N ILE A 215 88.206 15.311 -1.750 1.00 0.00 N ATOM 109 CA ILE A 215 88.019 14.516 -0.443 1.00 0.00 C ATOM 110 C ILE A 215 86.771 13.562 -0.536 1.00 0.00 C ATOM 111 O ILE A 215 86.789 12.494 0.048 1.00 0.00 O ATOM 112 CB ILE A 215 87.931 15.504 0.821 1.00 0.00 C ATOM 113 CG1 ILE A 215 89.224 16.478 0.893 1.00 0.00 C ATOM 114 CG2 ILE A 215 87.767 14.710 2.208 1.00 0.00 C ATOM 115 CD1 ILE A 215 90.600 15.747 1.028 1.00 0.00 C ATOM 0 H ILE A 215 88.242 16.322 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 215 88.895 13.884 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 215 87.036 16.110 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 215 89.245 17.095 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 215 89.104 17.153 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 215 87.712 15.423 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 215 86.854 14.116 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 215 88.624 14.052 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 215 91.401 16.485 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 215 90.608 15.152 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 215 90.751 15.094 0.169 1.00 0.00 H new ATOM 127 N ILE A 216 85.674 13.963 -1.248 1.00 0.00 N ATOM 128 CA ILE A 216 84.434 13.065 -1.391 1.00 0.00 C ATOM 129 C ILE A 216 84.792 11.851 -2.326 1.00 0.00 C ATOM 130 O ILE A 216 84.484 10.704 -2.035 1.00 0.00 O ATOM 131 CB ILE A 216 83.176 13.899 -1.958 1.00 0.00 C ATOM 132 CG1 ILE A 216 82.746 15.087 -0.931 1.00 0.00 C ATOM 133 CG2 ILE A 216 81.900 12.946 -2.222 1.00 0.00 C ATOM 134 CD1 ILE A 216 83.823 16.195 -0.713 1.00 0.00 C ATOM 0 H ILE A 216 85.600 14.863 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 216 84.143 12.686 -0.411 1.00 0.00 H new ATOM 0 HB ILE A 216 83.493 14.336 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 216 81.835 15.556 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 216 82.504 14.642 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 216 81.072 13.544 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 216 82.162 12.181 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 216 81.603 12.469 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 216 83.443 16.940 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 216 84.730 15.746 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 216 84.050 16.674 -1.665 1.00 0.00 H new ATOM 146 N TYR A 217 85.399 12.187 -3.490 1.00 0.00 N ATOM 147 CA TYR A 217 85.785 11.199 -4.593 1.00 0.00 C ATOM 148 C TYR A 217 86.930 10.192 -4.228 1.00 0.00 C ATOM 149 O TYR A 217 87.006 9.145 -4.859 1.00 0.00 O ATOM 150 CB TYR A 217 86.127 11.986 -5.937 1.00 0.00 C ATOM 151 CG TYR A 217 84.887 12.841 -6.462 1.00 0.00 C ATOM 152 CD1 TYR A 217 84.926 14.276 -6.541 1.00 0.00 C ATOM 153 CD2 TYR A 217 83.682 12.183 -6.881 1.00 0.00 C ATOM 154 CE1 TYR A 217 83.805 15.000 -7.012 1.00 0.00 C ATOM 155 CE2 TYR A 217 82.579 12.936 -7.350 1.00 0.00 C ATOM 156 CZ TYR A 217 82.646 14.329 -7.408 1.00 0.00 C ATOM 157 OH TYR A 217 81.558 15.051 -7.868 1.00 0.00 O ATOM 0 H TYR A 217 85.647 13.150 -3.716 1.00 0.00 H new ATOM 0 HA TYR A 217 84.907 10.569 -4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 217 86.976 12.648 -5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 217 86.429 11.275 -6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 217 85.817 14.805 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 217 83.617 11.106 -6.838 1.00 0.00 H new ATOM 0 HE1 TYR A 217 83.846 16.078 -7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 217 81.679 12.429 -7.665 1.00 0.00 H new ATOM 0 HH TYR A 217 80.833 14.435 -8.104 1.00 0.00 H new ATOM 167 N VAL A 218 87.876 10.535 -3.301 1.00 0.00 N ATOM 168 CA VAL A 218 89.091 9.620 -3.003 1.00 0.00 C ATOM 169 C VAL A 218 88.653 8.183 -2.575 1.00 0.00 C ATOM 170 O VAL A 218 89.277 7.199 -2.950 1.00 0.00 O ATOM 171 CB VAL A 218 90.020 10.301 -1.876 1.00 0.00 C ATOM 172 CG1 VAL A 218 89.297 10.330 -0.445 1.00 0.00 C ATOM 173 CG2 VAL A 218 91.444 9.570 -1.754 1.00 0.00 C ATOM 0 H VAL A 218 87.851 11.395 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 218 89.665 9.510 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 218 90.188 11.329 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 218 89.957 10.797 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 218 88.372 10.902 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 218 89.071 9.311 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 218 92.040 10.060 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 218 91.294 8.524 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 218 91.966 9.629 -2.709 1.00 0.00 H new ATOM 183 N THR A 219 87.567 8.110 -1.775 1.00 0.00 N ATOM 184 CA THR A 219 86.985 6.799 -1.244 1.00 0.00 C ATOM 185 C THR A 219 86.462 5.922 -2.404 1.00 0.00 C ATOM 186 O THR A 219 86.747 4.733 -2.488 1.00 0.00 O ATOM 187 CB THR A 219 85.798 7.097 -0.214 1.00 0.00 C ATOM 188 OG1 THR A 219 84.593 7.390 -0.929 1.00 0.00 O ATOM 189 CG2 THR A 219 86.112 8.332 0.714 1.00 0.00 C ATOM 0 H THR A 219 87.053 8.935 -1.465 1.00 0.00 H new ATOM 0 HA THR A 219 87.779 6.259 -0.729 1.00 0.00 H new ATOM 0 HB THR A 219 85.687 6.205 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 219 83.870 7.570 -0.292 1.00 0.00 H new ATOM 0 HG21 THR A 219 85.278 8.496 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 219 87.017 8.135 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 219 86.258 9.221 0.100 1.00 0.00 H new ATOM 197 N VAL A 220 85.678 6.566 -3.296 1.00 0.00 N ATOM 198 CA VAL A 220 85.058 5.902 -4.512 1.00 0.00 C ATOM 199 C VAL A 220 86.184 5.541 -5.526 1.00 0.00 C ATOM 200 O VAL A 220 86.208 4.448 -6.066 1.00 0.00 O ATOM 201 CB VAL A 220 83.961 6.894 -5.141 1.00 0.00 C ATOM 202 CG1 VAL A 220 83.253 6.262 -6.438 1.00 0.00 C ATOM 203 CG2 VAL A 220 82.851 7.262 -4.038 1.00 0.00 C ATOM 0 H VAL A 220 85.445 7.556 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 220 84.553 4.975 -4.240 1.00 0.00 H new ATOM 0 HB VAL A 220 84.481 7.799 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 220 82.519 6.966 -6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 220 84.005 6.059 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 220 82.754 5.333 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 220 82.113 7.935 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 220 82.357 6.351 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 220 83.329 7.751 -3.189 1.00 0.00 H new ATOM 213 N ALA A 221 87.119 6.497 -5.759 1.00 0.00 N ATOM 214 CA ALA A 221 88.281 6.317 -6.728 1.00 0.00 C ATOM 215 C ALA A 221 89.097 5.022 -6.421 1.00 0.00 C ATOM 216 O ALA A 221 89.614 4.382 -7.328 1.00 0.00 O ATOM 217 CB ALA A 221 89.208 7.587 -6.664 1.00 0.00 C ATOM 0 H ALA A 221 87.109 7.408 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 221 87.878 6.207 -7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 221 90.042 7.464 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 221 88.634 8.471 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 221 89.592 7.707 -5.651 1.00 0.00 H new ATOM 223 N ALA A 222 89.210 4.680 -5.106 1.00 0.00 N ATOM 224 CA ALA A 222 89.989 3.461 -4.630 1.00 0.00 C ATOM 225 C ALA A 222 89.378 2.136 -5.178 1.00 0.00 C ATOM 226 O ALA A 222 90.096 1.252 -5.624 1.00 0.00 O ATOM 227 CB ALA A 222 90.011 3.468 -3.055 1.00 0.00 C ATOM 0 H ALA A 222 88.782 5.215 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 222 91.008 3.513 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 222 90.565 2.601 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 222 90.493 4.379 -2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 222 88.990 3.428 -2.677 1.00 0.00 H new ATOM 233 N VAL A 223 88.028 2.025 -5.113 1.00 0.00 N ATOM 234 CA VAL A 223 87.261 0.795 -5.593 1.00 0.00 C ATOM 235 C VAL A 223 87.319 0.713 -7.147 1.00 0.00 C ATOM 236 O VAL A 223 87.445 -0.366 -7.717 1.00 0.00 O ATOM 237 CB VAL A 223 85.756 0.865 -5.036 1.00 0.00 C ATOM 238 CG1 VAL A 223 84.900 -0.428 -5.457 1.00 0.00 C ATOM 239 CG2 VAL A 223 85.766 1.020 -3.435 1.00 0.00 C ATOM 0 H VAL A 223 87.427 2.759 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 223 87.716 -0.117 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 223 85.280 1.737 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 223 83.889 -0.340 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 223 84.858 -0.499 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 223 85.372 -1.324 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 223 84.741 1.067 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 223 86.273 0.164 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 223 86.291 1.935 -3.161 1.00 0.00 H new ATOM 249 N VAL A 224 87.217 1.891 -7.810 1.00 0.00 N ATOM 250 CA VAL A 224 87.251 2.011 -9.330 1.00 0.00 C ATOM 251 C VAL A 224 88.655 1.596 -9.870 1.00 0.00 C ATOM 252 O VAL A 224 88.757 1.053 -10.957 1.00 0.00 O ATOM 253 CB VAL A 224 86.848 3.511 -9.728 1.00 0.00 C ATOM 254 CG1 VAL A 224 87.025 3.819 -11.293 1.00 0.00 C ATOM 255 CG2 VAL A 224 85.328 3.812 -9.285 1.00 0.00 C ATOM 0 H VAL A 224 87.109 2.787 -7.334 1.00 0.00 H new ATOM 0 HA VAL A 224 86.533 1.333 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 224 87.534 4.168 -9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 224 86.736 4.850 -11.496 1.00 0.00 H new ATOM 0 HG12 VAL A 224 88.067 3.672 -11.577 1.00 0.00 H new ATOM 0 HG13 VAL A 224 86.393 3.144 -11.870 1.00 0.00 H new ATOM 0 HG21 VAL A 224 85.064 4.833 -9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 224 84.657 3.116 -9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 224 85.233 3.691 -8.206 1.00 0.00 H new ATOM 265 N LEU A 225 89.730 1.896 -9.095 1.00 0.00 N ATOM 266 CA LEU A 225 91.172 1.589 -9.511 1.00 0.00 C ATOM 267 C LEU A 225 91.420 0.052 -9.664 1.00 0.00 C ATOM 268 O LEU A 225 92.180 -0.365 -10.530 1.00 0.00 O ATOM 269 CB LEU A 225 92.143 2.244 -8.438 1.00 0.00 C ATOM 270 CG LEU A 225 93.728 2.067 -8.740 1.00 0.00 C ATOM 271 CD1 LEU A 225 94.154 2.697 -10.131 1.00 0.00 C ATOM 272 CD2 LEU A 225 94.597 2.700 -7.553 1.00 0.00 C ATOM 0 H LEU A 225 89.653 2.346 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 225 91.370 2.017 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 225 91.919 3.309 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 225 91.925 1.811 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 225 93.924 0.996 -8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 225 95.223 2.551 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 225 93.603 2.210 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 225 93.929 3.764 -10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 225 95.657 2.573 -7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 225 94.370 3.762 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 225 94.356 2.196 -6.617 1.00 0.00 H new ATOM 284 N ILE A 226 90.798 -0.767 -8.775 1.00 0.00 N ATOM 285 CA ILE A 226 90.984 -2.288 -8.773 1.00 0.00 C ATOM 286 C ILE A 226 90.302 -2.951 -10.022 1.00 0.00 C ATOM 287 O ILE A 226 90.922 -3.718 -10.732 1.00 0.00 O ATOM 288 CB ILE A 226 90.407 -2.877 -7.385 1.00 0.00 C ATOM 289 CG1 ILE A 226 91.159 -2.169 -6.131 1.00 0.00 C ATOM 290 CG2 ILE A 226 90.571 -4.479 -7.305 1.00 0.00 C ATOM 291 CD1 ILE A 226 90.539 -2.532 -4.748 1.00 0.00 C ATOM 0 H ILE A 226 90.166 -0.429 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 226 92.045 -2.527 -8.846 1.00 0.00 H new ATOM 0 HB ILE A 226 89.341 -2.654 -7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 226 92.210 -2.460 -6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 226 91.127 -1.087 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 226 90.171 -4.839 -6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 226 90.026 -4.942 -8.128 1.00 0.00 H new ATOM 0 HG23 ILE A 226 91.627 -4.741 -7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 226 91.091 -2.024 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 226 89.496 -2.216 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 226 90.596 -3.610 -4.595 1.00 0.00 H new ATOM 303 N VAL A 227 88.995 -2.677 -10.217 1.00 0.00 N ATOM 304 CA VAL A 227 88.144 -3.275 -11.343 1.00 0.00 C ATOM 305 C VAL A 227 88.572 -2.810 -12.768 1.00 0.00 C ATOM 306 O VAL A 227 88.426 -3.556 -13.727 1.00 0.00 O ATOM 307 CB VAL A 227 86.593 -2.970 -11.042 1.00 0.00 C ATOM 308 CG1 VAL A 227 86.157 -3.622 -9.638 1.00 0.00 C ATOM 309 CG2 VAL A 227 86.333 -1.395 -11.013 1.00 0.00 C ATOM 0 H VAL A 227 88.473 -2.040 -9.616 1.00 0.00 H new ATOM 0 HA VAL A 227 88.309 -4.352 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 227 85.994 -3.413 -11.838 1.00 0.00 H new ATOM 0 HG11 VAL A 227 85.105 -3.407 -9.448 1.00 0.00 H new ATOM 0 HG12 VAL A 227 86.306 -4.701 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 227 86.764 -3.200 -8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 227 85.280 -1.204 -10.808 1.00 0.00 H new ATOM 0 HG22 VAL A 227 86.943 -0.940 -10.232 1.00 0.00 H new ATOM 0 HG23 VAL A 227 86.599 -0.964 -11.978 1.00 0.00 H new ATOM 319 N ALA A 228 88.998 -1.532 -12.893 1.00 0.00 N ATOM 320 CA ALA A 228 89.337 -0.886 -14.238 1.00 0.00 C ATOM 321 C ALA A 228 90.444 -1.642 -15.039 1.00 0.00 C ATOM 322 O ALA A 228 90.430 -1.602 -16.263 1.00 0.00 O ATOM 323 CB ALA A 228 89.761 0.612 -13.990 1.00 0.00 C ATOM 0 H ALA A 228 89.124 -0.907 -12.097 1.00 0.00 H new ATOM 0 HA ALA A 228 88.442 -0.938 -14.858 1.00 0.00 H new ATOM 0 HB1 ALA A 228 90.005 1.083 -14.942 1.00 0.00 H new ATOM 0 HB2 ALA A 228 88.938 1.150 -13.519 1.00 0.00 H new ATOM 0 HB3 ALA A 228 90.633 0.640 -13.337 1.00 0.00 H new ATOM 329 N VAL A 229 91.415 -2.309 -14.356 1.00 0.00 N ATOM 330 CA VAL A 229 92.543 -3.061 -15.084 1.00 0.00 C ATOM 331 C VAL A 229 91.953 -4.199 -15.978 1.00 0.00 C ATOM 332 O VAL A 229 92.431 -4.444 -17.076 1.00 0.00 O ATOM 333 CB VAL A 229 93.652 -3.614 -14.050 1.00 0.00 C ATOM 334 CG1 VAL A 229 94.102 -2.442 -13.054 1.00 0.00 C ATOM 335 CG2 VAL A 229 93.137 -4.886 -13.215 1.00 0.00 C ATOM 0 H VAL A 229 91.464 -2.358 -13.338 1.00 0.00 H new ATOM 0 HA VAL A 229 93.055 -2.357 -15.739 1.00 0.00 H new ATOM 0 HB VAL A 229 94.507 -3.946 -14.639 1.00 0.00 H new ATOM 0 HG11 VAL A 229 94.851 -2.823 -12.359 1.00 0.00 H new ATOM 0 HG12 VAL A 229 94.526 -1.619 -13.629 1.00 0.00 H new ATOM 0 HG13 VAL A 229 93.236 -2.087 -12.496 1.00 0.00 H new ATOM 0 HG21 VAL A 229 93.922 -5.217 -12.535 1.00 0.00 H new ATOM 0 HG22 VAL A 229 92.252 -4.611 -12.641 1.00 0.00 H new ATOM 0 HG23 VAL A 229 92.887 -5.695 -13.901 1.00 0.00 H new ATOM 345 N PHE A 230 90.892 -4.887 -15.457 1.00 0.00 N ATOM 346 CA PHE A 230 90.199 -6.028 -16.198 1.00 0.00 C ATOM 347 C PHE A 230 89.436 -5.484 -17.446 1.00 0.00 C ATOM 348 O PHE A 230 89.335 -6.169 -18.457 1.00 0.00 O ATOM 349 CB PHE A 230 89.222 -6.777 -15.204 1.00 0.00 C ATOM 350 CG PHE A 230 90.051 -7.518 -14.064 1.00 0.00 C ATOM 351 CD1 PHE A 230 90.581 -8.833 -14.290 1.00 0.00 C ATOM 352 CD2 PHE A 230 90.306 -6.896 -12.801 1.00 0.00 C ATOM 353 CE1 PHE A 230 91.329 -9.491 -13.285 1.00 0.00 C ATOM 354 CE2 PHE A 230 91.054 -7.566 -11.804 1.00 0.00 C ATOM 355 CZ PHE A 230 91.562 -8.859 -12.045 1.00 0.00 C ATOM 0 H PHE A 230 90.491 -4.687 -14.541 1.00 0.00 H new ATOM 0 HA PHE A 230 90.944 -6.739 -16.556 1.00 0.00 H new ATOM 0 HB2 PHE A 230 88.532 -6.063 -14.755 1.00 0.00 H new ATOM 0 HB3 PHE A 230 88.619 -7.501 -15.753 1.00 0.00 H new ATOM 0 HD1 PHE A 230 90.407 -9.325 -15.236 1.00 0.00 H new ATOM 0 HD2 PHE A 230 89.924 -5.905 -12.607 1.00 0.00 H new ATOM 0 HE1 PHE A 230 91.723 -10.480 -13.468 1.00 0.00 H new ATOM 0 HE2 PHE A 230 91.237 -7.085 -10.854 1.00 0.00 H new ATOM 0 HZ PHE A 230 92.130 -9.366 -11.279 1.00 0.00 H new ATOM 365 N VAL A 231 88.906 -4.234 -17.346 1.00 0.00 N ATOM 366 CA VAL A 231 88.134 -3.557 -18.482 1.00 0.00 C ATOM 367 C VAL A 231 89.115 -3.254 -19.657 1.00 0.00 C ATOM 368 O VAL A 231 88.754 -3.372 -20.814 1.00 0.00 O ATOM 369 CB VAL A 231 87.414 -2.226 -17.938 1.00 0.00 C ATOM 370 CG1 VAL A 231 86.541 -1.506 -19.083 1.00 0.00 C ATOM 371 CG2 VAL A 231 86.479 -2.579 -16.681 1.00 0.00 C ATOM 0 H VAL A 231 88.986 -3.660 -16.507 1.00 0.00 H new ATOM 0 HA VAL A 231 87.352 -4.219 -18.855 1.00 0.00 H new ATOM 0 HB VAL A 231 88.196 -1.532 -17.630 1.00 0.00 H new ATOM 0 HG11 VAL A 231 86.072 -0.611 -18.674 1.00 0.00 H new ATOM 0 HG12 VAL A 231 87.189 -1.228 -19.914 1.00 0.00 H new ATOM 0 HG13 VAL A 231 85.770 -2.190 -19.437 1.00 0.00 H new ATOM 0 HG21 VAL A 231 85.996 -1.671 -16.320 1.00 0.00 H new ATOM 0 HG22 VAL A 231 85.718 -3.299 -16.984 1.00 0.00 H new ATOM 0 HG23 VAL A 231 87.087 -3.008 -15.884 1.00 0.00 H new ATOM 381 N CYS A 232 90.366 -2.852 -19.307 1.00 0.00 N ATOM 382 CA CYS A 232 91.454 -2.516 -20.321 1.00 0.00 C ATOM 383 C CYS A 232 91.895 -3.801 -21.090 1.00 0.00 C ATOM 384 O CYS A 232 92.023 -3.804 -22.306 1.00 0.00 O ATOM 385 CB CYS A 232 92.668 -1.869 -19.555 1.00 0.00 C ATOM 386 SG CYS A 232 92.116 -0.385 -18.662 1.00 0.00 S ATOM 0 H CYS A 232 90.665 -2.747 -18.338 1.00 0.00 H new ATOM 0 HA CYS A 232 91.074 -1.809 -21.058 1.00 0.00 H new ATOM 0 HB2 CYS A 232 93.093 -2.588 -18.855 1.00 0.00 H new ATOM 0 HB3 CYS A 232 93.457 -1.607 -20.260 1.00 0.00 H new ATOM 0 HG CYS A 232 91.381 -0.736 -17.649 1.00 0.00 H new ATOM 392 N LYS A 233 92.130 -4.887 -20.314 1.00 0.00 N ATOM 393 CA LYS A 233 92.575 -6.242 -20.852 1.00 0.00 C ATOM 394 C LYS A 233 91.445 -6.908 -21.676 1.00 0.00 C ATOM 395 O LYS A 233 91.725 -7.684 -22.570 1.00 0.00 O ATOM 396 CB LYS A 233 93.027 -7.148 -19.620 1.00 0.00 C ATOM 397 CG LYS A 233 94.326 -6.584 -18.853 1.00 0.00 C ATOM 398 CD LYS A 233 95.697 -6.852 -19.641 1.00 0.00 C ATOM 399 CE LYS A 233 96.958 -6.345 -18.835 1.00 0.00 C ATOM 400 NZ LYS A 233 98.188 -6.644 -19.624 1.00 0.00 N ATOM 0 H LYS A 233 92.024 -4.872 -19.300 1.00 0.00 H new ATOM 0 HA LYS A 233 93.419 -6.117 -21.531 1.00 0.00 H new ATOM 0 HB2 LYS A 233 92.201 -7.224 -18.913 1.00 0.00 H new ATOM 0 HB3 LYS A 233 93.235 -8.157 -19.977 1.00 0.00 H new ATOM 0 HG2 LYS A 233 94.209 -5.512 -18.696 1.00 0.00 H new ATOM 0 HG3 LYS A 233 94.386 -7.046 -17.867 1.00 0.00 H new ATOM 0 HD2 LYS A 233 95.799 -7.919 -19.837 1.00 0.00 H new ATOM 0 HD3 LYS A 233 95.661 -6.352 -20.609 1.00 0.00 H new ATOM 0 HE2 LYS A 233 96.881 -5.274 -18.649 1.00 0.00 H new ATOM 0 HE3 LYS A 233 97.006 -6.835 -17.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 99.024 -6.314 -19.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 98.260 -7.670 -19.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 98.139 -6.157 -20.542 1.00 0.00 H new ATOM 414 N SER A 234 90.161 -6.578 -21.385 1.00 0.00 N ATOM 415 CA SER A 234 88.978 -7.173 -22.150 1.00 0.00 C ATOM 416 C SER A 234 89.039 -6.743 -23.647 1.00 0.00 C ATOM 417 O SER A 234 88.472 -7.398 -24.501 1.00 0.00 O ATOM 418 CB SER A 234 87.640 -6.717 -21.476 1.00 0.00 C ATOM 419 OG SER A 234 87.596 -7.236 -20.152 1.00 0.00 O ATOM 0 H SER A 234 89.897 -5.922 -20.650 1.00 0.00 H new ATOM 0 HA SER A 234 89.025 -8.261 -22.116 1.00 0.00 H new ATOM 0 HB2 SER A 234 87.578 -5.629 -21.458 1.00 0.00 H new ATOM 0 HB3 SER A 234 86.786 -7.075 -22.051 1.00 0.00 H new ATOM 0 HG SER A 234 88.415 -6.986 -19.675 1.00 0.00 H new ATOM 425 N LEU A 235 89.769 -5.627 -23.913 1.00 0.00 N ATOM 426 CA LEU A 235 89.978 -5.048 -25.306 1.00 0.00 C ATOM 427 C LEU A 235 91.273 -5.635 -25.957 1.00 0.00 C ATOM 428 O LEU A 235 91.461 -5.492 -27.157 1.00 0.00 O ATOM 429 CB LEU A 235 90.073 -3.460 -25.201 1.00 0.00 C ATOM 430 CG LEU A 235 88.820 -2.792 -24.427 1.00 0.00 C ATOM 431 CD1 LEU A 235 89.029 -1.221 -24.252 1.00 0.00 C ATOM 432 CD2 LEU A 235 87.434 -3.091 -25.157 1.00 0.00 C ATOM 0 H LEU A 235 90.236 -5.090 -23.182 1.00 0.00 H new ATOM 0 HA LEU A 235 89.134 -5.318 -25.941 1.00 0.00 H new ATOM 0 HB2 LEU A 235 90.995 -3.192 -24.684 1.00 0.00 H new ATOM 0 HB3 LEU A 235 90.136 -3.040 -26.205 1.00 0.00 H new ATOM 0 HG LEU A 235 88.776 -3.252 -23.440 1.00 0.00 H new ATOM 0 HD11 LEU A 235 88.172 -0.796 -23.729 1.00 0.00 H new ATOM 0 HD12 LEU A 235 89.935 -1.037 -23.675 1.00 0.00 H new ATOM 0 HD13 LEU A 235 89.123 -0.755 -25.233 1.00 0.00 H new ATOM 0 HD21 LEU A 235 86.622 -2.623 -24.601 1.00 0.00 H new ATOM 0 HD22 LEU A 235 87.461 -2.687 -26.169 1.00 0.00 H new ATOM 0 HD23 LEU A 235 87.270 -4.168 -25.200 1.00 0.00 H new ATOM 444 N LEU A 236 92.188 -6.239 -25.132 1.00 0.00 N ATOM 445 CA LEU A 236 93.530 -6.790 -25.640 1.00 0.00 C ATOM 446 C LEU A 236 93.379 -8.196 -26.293 1.00 0.00 C ATOM 447 O LEU A 236 94.163 -8.530 -27.173 1.00 0.00 O ATOM 448 CB LEU A 236 94.537 -6.828 -24.413 1.00 0.00 C ATOM 449 CG LEU A 236 96.035 -7.347 -24.760 1.00 0.00 C ATOM 450 CD1 LEU A 236 96.746 -6.458 -25.866 1.00 0.00 C ATOM 451 CD2 LEU A 236 96.923 -7.409 -23.432 1.00 0.00 C ATOM 0 H LEU A 236 92.043 -6.364 -24.130 1.00 0.00 H new ATOM 0 HA LEU A 236 93.915 -6.138 -26.424 1.00 0.00 H new ATOM 0 HB2 LEU A 236 94.607 -5.826 -23.990 1.00 0.00 H new ATOM 0 HB3 LEU A 236 94.117 -7.472 -23.640 1.00 0.00 H new ATOM 0 HG LEU A 236 95.939 -8.350 -25.175 1.00 0.00 H new ATOM 0 HD11 LEU A 236 97.745 -6.849 -26.060 1.00 0.00 H new ATOM 0 HD12 LEU A 236 96.161 -6.484 -26.785 1.00 0.00 H new ATOM 0 HD13 LEU A 236 96.821 -5.429 -25.513 1.00 0.00 H new ATOM 0 HD21 LEU A 236 97.925 -7.759 -23.680 1.00 0.00 H new ATOM 0 HD22 LEU A 236 96.985 -6.415 -22.989 1.00 0.00 H new ATOM 0 HD23 LEU A 236 96.465 -8.096 -22.720 1.00 0.00 H new ATOM 652 N SER B 212 72.220 7.222 5.627 1.00 0.00 N ATOM 653 CA SER B 212 73.522 7.937 5.998 1.00 0.00 C ATOM 654 C SER B 212 74.678 6.934 6.229 1.00 0.00 C ATOM 655 O SER B 212 75.840 7.291 6.176 1.00 0.00 O ATOM 656 CB SER B 212 73.298 8.819 7.262 1.00 0.00 C ATOM 657 OG SER B 212 74.480 9.566 7.527 1.00 0.00 O ATOM 0 HA SER B 212 73.810 8.575 5.162 1.00 0.00 H new ATOM 0 HB2 SER B 212 72.455 9.492 7.105 1.00 0.00 H new ATOM 0 HB3 SER B 212 73.050 8.192 8.118 1.00 0.00 H new ATOM 0 HG SER B 212 74.343 10.124 8.321 1.00 0.00 H new ATOM 663 N GLY B 213 74.301 5.667 6.487 1.00 0.00 N ATOM 664 CA GLY B 213 75.269 4.539 6.724 1.00 0.00 C ATOM 665 C GLY B 213 76.037 4.172 5.438 1.00 0.00 C ATOM 666 O GLY B 213 77.115 3.603 5.512 1.00 0.00 O ATOM 0 H GLY B 213 73.324 5.380 6.540 1.00 0.00 H new ATOM 0 HA2 GLY B 213 75.977 4.823 7.503 1.00 0.00 H new ATOM 0 HA3 GLY B 213 74.729 3.665 7.088 1.00 0.00 H new ATOM 670 N ILE B 214 75.435 4.474 4.239 1.00 0.00 N ATOM 671 CA ILE B 214 76.069 4.118 2.883 1.00 0.00 C ATOM 672 C ILE B 214 77.470 4.786 2.683 1.00 0.00 C ATOM 673 O ILE B 214 78.427 4.118 2.306 1.00 0.00 O ATOM 674 CB ILE B 214 75.056 4.475 1.675 1.00 0.00 C ATOM 675 CG1 ILE B 214 75.429 3.691 0.298 1.00 0.00 C ATOM 676 CG2 ILE B 214 74.993 6.058 1.381 1.00 0.00 C ATOM 677 CD1 ILE B 214 75.325 2.129 0.370 1.00 0.00 C ATOM 0 H ILE B 214 74.536 4.950 4.164 1.00 0.00 H new ATOM 0 HA ILE B 214 76.245 3.042 2.875 1.00 0.00 H new ATOM 0 HB ILE B 214 74.076 4.139 2.012 1.00 0.00 H new ATOM 0 HG12 ILE B 214 74.770 4.047 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE B 214 76.446 3.959 0.010 1.00 0.00 H new ATOM 0 HG21 ILE B 214 74.300 6.249 0.562 1.00 0.00 H new ATOM 0 HG22 ILE B 214 74.651 6.581 2.274 1.00 0.00 H new ATOM 0 HG23 ILE B 214 75.985 6.417 1.108 1.00 0.00 H new ATOM 0 HD11 ILE B 214 75.593 1.702 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE B 214 76.006 1.754 1.134 1.00 0.00 H new ATOM 0 HD13 ILE B 214 74.304 1.844 0.622 1.00 0.00 H new ATOM 689 N ILE B 215 77.574 6.132 2.942 1.00 0.00 N ATOM 690 CA ILE B 215 78.898 6.902 2.779 1.00 0.00 C ATOM 691 C ILE B 215 79.954 6.385 3.809 1.00 0.00 C ATOM 692 O ILE B 215 81.140 6.365 3.520 1.00 0.00 O ATOM 693 CB ILE B 215 78.696 8.508 2.851 1.00 0.00 C ATOM 694 CG1 ILE B 215 77.987 8.932 4.231 1.00 0.00 C ATOM 695 CG2 ILE B 215 77.847 9.033 1.589 1.00 0.00 C ATOM 696 CD1 ILE B 215 77.899 10.477 4.443 1.00 0.00 C ATOM 0 H ILE B 215 76.793 6.708 3.256 1.00 0.00 H new ATOM 0 HA ILE B 215 79.280 6.703 1.778 1.00 0.00 H new ATOM 0 HB ILE B 215 79.680 8.976 2.817 1.00 0.00 H new ATOM 0 HG12 ILE B 215 76.981 8.513 4.256 1.00 0.00 H new ATOM 0 HG13 ILE B 215 78.537 8.491 5.062 1.00 0.00 H new ATOM 0 HG21 ILE B 215 77.723 10.114 1.658 1.00 0.00 H new ATOM 0 HG22 ILE B 215 78.374 8.786 0.668 1.00 0.00 H new ATOM 0 HG23 ILE B 215 76.867 8.555 1.586 1.00 0.00 H new ATOM 0 HD11 ILE B 215 77.409 10.686 5.394 1.00 0.00 H new ATOM 0 HD12 ILE B 215 78.903 10.901 4.451 1.00 0.00 H new ATOM 0 HD13 ILE B 215 77.323 10.923 3.632 1.00 0.00 H new ATOM 708 N ILE B 216 79.500 5.975 5.027 1.00 0.00 N ATOM 709 CA ILE B 216 80.432 5.422 6.110 1.00 0.00 C ATOM 710 C ILE B 216 80.967 4.019 5.659 1.00 0.00 C ATOM 711 O ILE B 216 82.100 3.653 5.937 1.00 0.00 O ATOM 712 CB ILE B 216 79.669 5.327 7.536 1.00 0.00 C ATOM 713 CG1 ILE B 216 78.993 6.752 7.893 1.00 0.00 C ATOM 714 CG2 ILE B 216 80.683 4.867 8.703 1.00 0.00 C ATOM 715 CD1 ILE B 216 78.197 6.763 9.237 1.00 0.00 C ATOM 0 H ILE B 216 78.518 6.007 5.302 1.00 0.00 H new ATOM 0 HA ILE B 216 81.276 6.099 6.241 1.00 0.00 H new ATOM 0 HB ILE B 216 78.885 4.574 7.462 1.00 0.00 H new ATOM 0 HG12 ILE B 216 79.774 7.511 7.940 1.00 0.00 H new ATOM 0 HG13 ILE B 216 78.321 7.036 7.083 1.00 0.00 H new ATOM 0 HG21 ILE B 216 80.146 4.811 9.650 1.00 0.00 H new ATOM 0 HG22 ILE B 216 81.096 3.888 8.461 1.00 0.00 H new ATOM 0 HG23 ILE B 216 81.493 5.591 8.787 1.00 0.00 H new ATOM 0 HD11 ILE B 216 77.776 7.755 9.402 1.00 0.00 H new ATOM 0 HD12 ILE B 216 77.392 6.030 9.189 1.00 0.00 H new ATOM 0 HD13 ILE B 216 78.867 6.512 10.059 1.00 0.00 H new ATOM 727 N TYR B 217 80.062 3.230 5.027 1.00 0.00 N ATOM 728 CA TYR B 217 80.333 1.793 4.582 1.00 0.00 C ATOM 729 C TYR B 217 81.390 1.644 3.433 1.00 0.00 C ATOM 730 O TYR B 217 82.201 0.723 3.483 1.00 0.00 O ATOM 731 CB TYR B 217 78.951 1.136 4.158 1.00 0.00 C ATOM 732 CG TYR B 217 79.097 -0.423 3.871 1.00 0.00 C ATOM 733 CD1 TYR B 217 79.302 -1.329 4.959 1.00 0.00 C ATOM 734 CD2 TYR B 217 79.050 -0.960 2.540 1.00 0.00 C ATOM 735 CE1 TYR B 217 79.451 -2.714 4.717 1.00 0.00 C ATOM 736 CE2 TYR B 217 79.198 -2.353 2.329 1.00 0.00 C ATOM 737 CZ TYR B 217 79.397 -3.215 3.413 1.00 0.00 C ATOM 738 OH TYR B 217 79.548 -4.572 3.193 1.00 0.00 O ATOM 0 H TYR B 217 79.120 3.548 4.801 1.00 0.00 H new ATOM 0 HA TYR B 217 80.781 1.276 5.431 1.00 0.00 H new ATOM 0 HB2 TYR B 217 78.217 1.292 4.949 1.00 0.00 H new ATOM 0 HB3 TYR B 217 78.570 1.635 3.267 1.00 0.00 H new ATOM 0 HD1 TYR B 217 79.343 -0.953 5.971 1.00 0.00 H new ATOM 0 HD2 TYR B 217 78.901 -0.300 1.698 1.00 0.00 H new ATOM 0 HE1 TYR B 217 79.608 -3.389 5.545 1.00 0.00 H new ATOM 0 HE2 TYR B 217 79.157 -2.752 1.326 1.00 0.00 H new ATOM 0 HH TYR B 217 79.484 -4.757 2.233 1.00 0.00 H new ATOM 748 N VAL B 218 81.338 2.498 2.365 1.00 0.00 N ATOM 749 CA VAL B 218 82.299 2.355 1.162 1.00 0.00 C ATOM 750 C VAL B 218 83.795 2.432 1.607 1.00 0.00 C ATOM 751 O VAL B 218 84.657 1.792 1.015 1.00 0.00 O ATOM 752 CB VAL B 218 81.953 3.432 0.016 1.00 0.00 C ATOM 753 CG1 VAL B 218 80.490 3.162 -0.593 1.00 0.00 C ATOM 754 CG2 VAL B 218 82.044 4.917 0.591 1.00 0.00 C ATOM 0 H VAL B 218 80.678 3.272 2.287 1.00 0.00 H new ATOM 0 HA VAL B 218 82.151 1.364 0.733 1.00 0.00 H new ATOM 0 HB VAL B 218 82.688 3.324 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL B 218 80.276 3.900 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL B 218 80.455 2.163 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL B 218 79.746 3.240 0.200 1.00 0.00 H new ATOM 0 HG21 VAL B 218 81.807 5.629 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL B 218 81.334 5.034 1.410 1.00 0.00 H new ATOM 0 HG23 VAL B 218 83.054 5.104 0.957 1.00 0.00 H new ATOM 764 N THR B 219 84.066 3.234 2.664 1.00 0.00 N ATOM 765 CA THR B 219 85.467 3.428 3.237 1.00 0.00 C ATOM 766 C THR B 219 86.009 2.106 3.839 1.00 0.00 C ATOM 767 O THR B 219 87.137 1.705 3.577 1.00 0.00 O ATOM 768 CB THR B 219 85.432 4.552 4.365 1.00 0.00 C ATOM 769 OG1 THR B 219 84.718 4.048 5.495 1.00 0.00 O ATOM 770 CG2 THR B 219 84.704 5.862 3.881 1.00 0.00 C ATOM 0 H THR B 219 83.348 3.768 3.154 1.00 0.00 H new ATOM 0 HA THR B 219 86.130 3.736 2.428 1.00 0.00 H new ATOM 0 HB THR B 219 86.464 4.801 4.611 1.00 0.00 H new ATOM 0 HG1 THR B 219 83.758 4.045 5.300 1.00 0.00 H new ATOM 0 HG21 THR B 219 84.706 6.598 4.685 1.00 0.00 H new ATOM 0 HG22 THR B 219 85.226 6.269 3.015 1.00 0.00 H new ATOM 0 HG23 THR B 219 83.675 5.627 3.607 1.00 0.00 H new ATOM 778 N VAL B 220 85.160 1.450 4.668 1.00 0.00 N ATOM 779 CA VAL B 220 85.510 0.144 5.366 1.00 0.00 C ATOM 780 C VAL B 220 85.556 -1.005 4.322 1.00 0.00 C ATOM 781 O VAL B 220 86.473 -1.811 4.320 1.00 0.00 O ATOM 782 CB VAL B 220 84.433 -0.142 6.526 1.00 0.00 C ATOM 783 CG1 VAL B 220 84.776 -1.483 7.346 1.00 0.00 C ATOM 784 CG2 VAL B 220 84.357 1.109 7.534 1.00 0.00 C ATOM 0 H VAL B 220 84.222 1.788 4.883 1.00 0.00 H new ATOM 0 HA VAL B 220 86.494 0.211 5.830 1.00 0.00 H new ATOM 0 HB VAL B 220 83.465 -0.283 6.045 1.00 0.00 H new ATOM 0 HG11 VAL B 220 84.024 -1.639 8.120 1.00 0.00 H new ATOM 0 HG12 VAL B 220 84.779 -2.335 6.666 1.00 0.00 H new ATOM 0 HG13 VAL B 220 85.758 -1.385 7.809 1.00 0.00 H new ATOM 0 HG21 VAL B 220 83.625 0.903 8.315 1.00 0.00 H new ATOM 0 HG22 VAL B 220 85.335 1.271 7.987 1.00 0.00 H new ATOM 0 HG23 VAL B 220 84.060 2.002 6.984 1.00 0.00 H new ATOM 794 N ALA B 221 84.524 -1.060 3.441 1.00 0.00 N ATOM 795 CA ALA B 221 84.400 -2.136 2.371 1.00 0.00 C ATOM 796 C ALA B 221 85.689 -2.240 1.498 1.00 0.00 C ATOM 797 O ALA B 221 86.055 -3.321 1.065 1.00 0.00 O ATOM 798 CB ALA B 221 83.141 -1.837 1.476 1.00 0.00 C ATOM 0 H ALA B 221 83.760 -0.385 3.434 1.00 0.00 H new ATOM 0 HA ALA B 221 84.275 -3.100 2.865 1.00 0.00 H new ATOM 0 HB1 ALA B 221 83.049 -2.606 0.709 1.00 0.00 H new ATOM 0 HB2 ALA B 221 82.245 -1.835 2.097 1.00 0.00 H new ATOM 0 HB3 ALA B 221 83.255 -0.862 1.001 1.00 0.00 H new ATOM 804 N ALA B 222 86.352 -1.074 1.246 1.00 0.00 N ATOM 805 CA ALA B 222 87.614 -1.009 0.396 1.00 0.00 C ATOM 806 C ALA B 222 88.774 -1.858 1.007 1.00 0.00 C ATOM 807 O ALA B 222 89.452 -2.596 0.300 1.00 0.00 O ATOM 808 CB ALA B 222 88.032 0.501 0.250 1.00 0.00 C ATOM 0 H ALA B 222 86.051 -0.169 1.607 1.00 0.00 H new ATOM 0 HA ALA B 222 87.408 -1.437 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA B 222 88.935 0.572 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA B 222 87.227 1.056 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA B 222 88.223 0.923 1.237 1.00 0.00 H new ATOM 814 N VAL B 223 88.992 -1.711 2.338 1.00 0.00 N ATOM 815 CA VAL B 223 90.096 -2.451 3.094 1.00 0.00 C ATOM 816 C VAL B 223 89.749 -3.966 3.191 1.00 0.00 C ATOM 817 O VAL B 223 90.617 -4.819 3.066 1.00 0.00 O ATOM 818 CB VAL B 223 90.288 -1.775 4.539 1.00 0.00 C ATOM 819 CG1 VAL B 223 91.481 -2.462 5.368 1.00 0.00 C ATOM 820 CG2 VAL B 223 90.569 -0.198 4.380 1.00 0.00 C ATOM 0 H VAL B 223 88.434 -1.095 2.929 1.00 0.00 H new ATOM 0 HA VAL B 223 91.042 -2.373 2.558 1.00 0.00 H new ATOM 0 HB VAL B 223 89.364 -1.927 5.097 1.00 0.00 H new ATOM 0 HG11 VAL B 223 91.577 -1.975 6.339 1.00 0.00 H new ATOM 0 HG12 VAL B 223 91.261 -3.520 5.513 1.00 0.00 H new ATOM 0 HG13 VAL B 223 92.415 -2.358 4.816 1.00 0.00 H new ATOM 0 HG21 VAL B 223 90.698 0.250 5.365 1.00 0.00 H new ATOM 0 HG22 VAL B 223 91.474 -0.047 3.792 1.00 0.00 H new ATOM 0 HG23 VAL B 223 89.726 0.273 3.875 1.00 0.00 H new ATOM 830 N VAL B 224 88.454 -4.268 3.435 1.00 0.00 N ATOM 831 CA VAL B 224 87.929 -5.692 3.565 1.00 0.00 C ATOM 832 C VAL B 224 88.020 -6.425 2.193 1.00 0.00 C ATOM 833 O VAL B 224 88.199 -7.633 2.153 1.00 0.00 O ATOM 834 CB VAL B 224 86.434 -5.621 4.141 1.00 0.00 C ATOM 835 CG1 VAL B 224 85.713 -7.054 4.186 1.00 0.00 C ATOM 836 CG2 VAL B 224 86.438 -4.969 5.614 1.00 0.00 C ATOM 0 H VAL B 224 87.732 -3.557 3.550 1.00 0.00 H new ATOM 0 HA VAL B 224 88.535 -6.274 4.259 1.00 0.00 H new ATOM 0 HB VAL B 224 85.863 -4.995 3.455 1.00 0.00 H new ATOM 0 HG11 VAL B 224 84.705 -6.942 4.585 1.00 0.00 H new ATOM 0 HG12 VAL B 224 85.661 -7.467 3.179 1.00 0.00 H new ATOM 0 HG13 VAL B 224 86.283 -7.728 4.825 1.00 0.00 H new ATOM 0 HG21 VAL B 224 85.418 -4.926 5.995 1.00 0.00 H new ATOM 0 HG22 VAL B 224 87.049 -5.578 6.280 1.00 0.00 H new ATOM 0 HG23 VAL B 224 86.850 -3.961 5.565 1.00 0.00 H new ATOM 846 N LEU B 225 87.844 -5.668 1.080 1.00 0.00 N ATOM 847 CA LEU B 225 87.853 -6.257 -0.329 1.00 0.00 C ATOM 848 C LEU B 225 89.248 -6.820 -0.736 1.00 0.00 C ATOM 849 O LEU B 225 89.323 -7.915 -1.290 1.00 0.00 O ATOM 850 CB LEU B 225 87.359 -5.125 -1.332 1.00 0.00 C ATOM 851 CG LEU B 225 87.340 -5.537 -2.903 1.00 0.00 C ATOM 852 CD1 LEU B 225 86.479 -6.840 -3.174 1.00 0.00 C ATOM 853 CD2 LEU B 225 86.812 -4.317 -3.789 1.00 0.00 C ATOM 0 H LEU B 225 87.694 -4.659 1.105 1.00 0.00 H new ATOM 0 HA LEU B 225 87.180 -7.113 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU B 225 86.353 -4.822 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU B 225 88.001 -4.253 -1.212 1.00 0.00 H new ATOM 0 HG LEU B 225 88.365 -5.769 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU B 225 86.498 -7.074 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU B 225 86.896 -7.675 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU B 225 85.450 -6.668 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU B 225 86.804 -4.607 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU B 225 85.801 -4.052 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU B 225 87.470 -3.458 -3.654 1.00 0.00 H new ATOM 865 N ILE B 226 90.347 -6.042 -0.509 1.00 0.00 N ATOM 866 CA ILE B 226 91.753 -6.489 -0.931 1.00 0.00 C ATOM 867 C ILE B 226 92.305 -7.669 -0.064 1.00 0.00 C ATOM 868 O ILE B 226 92.934 -8.557 -0.598 1.00 0.00 O ATOM 869 CB ILE B 226 92.753 -5.230 -0.986 1.00 0.00 C ATOM 870 CG1 ILE B 226 94.175 -5.637 -1.660 1.00 0.00 C ATOM 871 CG2 ILE B 226 92.957 -4.595 0.460 1.00 0.00 C ATOM 872 CD1 ILE B 226 95.124 -4.429 -1.887 1.00 0.00 C ATOM 0 H ILE B 226 90.314 -5.130 -0.054 1.00 0.00 H new ATOM 0 HA ILE B 226 91.679 -6.895 -1.940 1.00 0.00 H new ATOM 0 HB ILE B 226 92.296 -4.469 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE B 226 94.675 -6.366 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE B 226 93.988 -6.126 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE B 226 93.637 -3.746 0.392 1.00 0.00 H new ATOM 0 HG22 ILE B 226 91.996 -4.259 0.849 1.00 0.00 H new ATOM 0 HG23 ILE B 226 93.378 -5.344 1.130 1.00 0.00 H new ATOM 0 HD11 ILE B 226 96.053 -4.776 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE B 226 94.644 -3.709 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE B 226 95.342 -3.953 -0.931 1.00 0.00 H new ATOM 884 N VAL B 227 92.104 -7.651 1.285 1.00 0.00 N ATOM 885 CA VAL B 227 92.637 -8.761 2.216 1.00 0.00 C ATOM 886 C VAL B 227 91.930 -10.131 1.968 1.00 0.00 C ATOM 887 O VAL B 227 92.536 -11.183 2.121 1.00 0.00 O ATOM 888 CB VAL B 227 92.515 -8.298 3.753 1.00 0.00 C ATOM 889 CG1 VAL B 227 93.334 -6.941 3.999 1.00 0.00 C ATOM 890 CG2 VAL B 227 90.981 -8.095 4.160 1.00 0.00 C ATOM 0 H VAL B 227 91.594 -6.912 1.769 1.00 0.00 H new ATOM 0 HA VAL B 227 93.690 -8.917 1.984 1.00 0.00 H new ATOM 0 HB VAL B 227 92.941 -9.082 4.379 1.00 0.00 H new ATOM 0 HG11 VAL B 227 93.240 -6.643 5.043 1.00 0.00 H new ATOM 0 HG12 VAL B 227 94.385 -7.102 3.761 1.00 0.00 H new ATOM 0 HG13 VAL B 227 92.934 -6.154 3.360 1.00 0.00 H new ATOM 0 HG21 VAL B 227 90.919 -7.782 5.202 1.00 0.00 H new ATOM 0 HG22 VAL B 227 90.534 -7.330 3.525 1.00 0.00 H new ATOM 0 HG23 VAL B 227 90.443 -9.034 4.031 1.00 0.00 H new ATOM 900 N ALA B 228 90.610 -10.073 1.681 1.00 0.00 N ATOM 901 CA ALA B 228 89.726 -11.308 1.519 1.00 0.00 C ATOM 902 C ALA B 228 90.195 -12.291 0.397 1.00 0.00 C ATOM 903 O ALA B 228 89.964 -13.491 0.521 1.00 0.00 O ATOM 904 CB ALA B 228 88.251 -10.825 1.250 1.00 0.00 C ATOM 0 H ALA B 228 90.108 -9.194 1.552 1.00 0.00 H new ATOM 0 HA ALA B 228 89.794 -11.883 2.443 1.00 0.00 H new ATOM 0 HB1 ALA B 228 87.600 -11.691 1.131 1.00 0.00 H new ATOM 0 HB2 ALA B 228 87.905 -10.225 2.092 1.00 0.00 H new ATOM 0 HB3 ALA B 228 88.225 -10.224 0.341 1.00 0.00 H new ATOM 910 N VAL B 229 90.819 -11.787 -0.706 1.00 0.00 N ATOM 911 CA VAL B 229 91.280 -12.693 -1.864 1.00 0.00 C ATOM 912 C VAL B 229 92.389 -13.679 -1.382 1.00 0.00 C ATOM 913 O VAL B 229 92.454 -14.815 -1.838 1.00 0.00 O ATOM 914 CB VAL B 229 91.723 -11.841 -3.160 1.00 0.00 C ATOM 915 CG1 VAL B 229 90.595 -10.753 -3.506 1.00 0.00 C ATOM 916 CG2 VAL B 229 93.147 -11.127 -2.978 1.00 0.00 C ATOM 0 H VAL B 229 91.021 -10.796 -0.841 1.00 0.00 H new ATOM 0 HA VAL B 229 90.428 -13.294 -2.183 1.00 0.00 H new ATOM 0 HB VAL B 229 91.828 -12.543 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL B 229 90.899 -10.180 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL B 229 89.652 -11.259 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL B 229 90.467 -10.080 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL B 229 93.392 -10.569 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL B 229 93.106 -10.444 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL B 229 93.912 -11.882 -2.799 1.00 0.00 H new ATOM 926 N PHE B 230 93.263 -13.204 -0.440 1.00 0.00 N ATOM 927 CA PHE B 230 94.397 -14.050 0.140 1.00 0.00 C ATOM 928 C PHE B 230 93.807 -15.187 1.034 1.00 0.00 C ATOM 929 O PHE B 230 94.280 -16.317 1.010 1.00 0.00 O ATOM 930 CB PHE B 230 95.366 -13.114 0.967 1.00 0.00 C ATOM 931 CG PHE B 230 96.074 -12.065 0.003 1.00 0.00 C ATOM 932 CD1 PHE B 230 95.454 -10.812 -0.300 1.00 0.00 C ATOM 933 CD2 PHE B 230 97.345 -12.358 -0.602 1.00 0.00 C ATOM 934 CE1 PHE B 230 96.083 -9.888 -1.168 1.00 0.00 C ATOM 935 CE2 PHE B 230 97.962 -11.424 -1.466 1.00 0.00 C ATOM 936 CZ PHE B 230 97.333 -10.193 -1.748 1.00 0.00 C ATOM 0 H PHE B 230 93.219 -12.258 -0.061 1.00 0.00 H new ATOM 0 HA PHE B 230 94.965 -14.518 -0.664 1.00 0.00 H new ATOM 0 HB2 PHE B 230 94.804 -12.588 1.739 1.00 0.00 H new ATOM 0 HB3 PHE B 230 96.118 -13.716 1.476 1.00 0.00 H new ATOM 0 HD1 PHE B 230 94.497 -10.569 0.138 1.00 0.00 H new ATOM 0 HD2 PHE B 230 97.832 -13.299 -0.395 1.00 0.00 H new ATOM 0 HE1 PHE B 230 95.604 -8.945 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE B 230 98.918 -11.654 -1.912 1.00 0.00 H new ATOM 0 HZ PHE B 230 97.809 -9.483 -2.409 1.00 0.00 H new ATOM 946 N VAL B 231 92.757 -14.838 1.819 1.00 0.00 N ATOM 947 CA VAL B 231 92.041 -15.806 2.761 1.00 0.00 C ATOM 948 C VAL B 231 91.289 -16.880 1.917 1.00 0.00 C ATOM 949 O VAL B 231 91.242 -18.048 2.281 1.00 0.00 O ATOM 950 CB VAL B 231 91.046 -14.976 3.711 1.00 0.00 C ATOM 951 CG1 VAL B 231 90.272 -15.930 4.749 1.00 0.00 C ATOM 952 CG2 VAL B 231 91.861 -13.846 4.513 1.00 0.00 C ATOM 0 H VAL B 231 92.368 -13.895 1.835 1.00 0.00 H new ATOM 0 HA VAL B 231 92.755 -16.326 3.400 1.00 0.00 H new ATOM 0 HB VAL B 231 90.300 -14.505 3.071 1.00 0.00 H new ATOM 0 HG11 VAL B 231 89.610 -15.329 5.372 1.00 0.00 H new ATOM 0 HG12 VAL B 231 89.684 -16.665 4.199 1.00 0.00 H new ATOM 0 HG13 VAL B 231 90.997 -16.444 5.381 1.00 0.00 H new ATOM 0 HG21 VAL B 231 91.177 -13.290 5.154 1.00 0.00 H new ATOM 0 HG22 VAL B 231 92.629 -14.317 5.126 1.00 0.00 H new ATOM 0 HG23 VAL B 231 92.330 -13.164 3.804 1.00 0.00 H new ATOM 962 N CYS B 232 90.702 -16.430 0.778 1.00 0.00 N ATOM 963 CA CYS B 232 89.921 -17.322 -0.180 1.00 0.00 C ATOM 964 C CYS B 232 90.861 -18.394 -0.809 1.00 0.00 C ATOM 965 O CYS B 232 90.508 -19.558 -0.926 1.00 0.00 O ATOM 966 CB CYS B 232 89.270 -16.412 -1.287 1.00 0.00 C ATOM 967 SG CYS B 232 88.200 -17.377 -2.403 1.00 0.00 S ATOM 0 H CYS B 232 90.743 -15.455 0.482 1.00 0.00 H new ATOM 0 HA CYS B 232 89.135 -17.854 0.356 1.00 0.00 H new ATOM 0 HB2 CYS B 232 88.686 -15.623 -0.813 1.00 0.00 H new ATOM 0 HB3 CYS B 232 90.054 -15.924 -1.866 1.00 0.00 H new ATOM 0 HG CYS B 232 87.683 -16.588 -3.298 1.00 0.00 H new ATOM 973 N LYS B 233 92.082 -17.943 -1.190 1.00 0.00 N ATOM 974 CA LYS B 233 93.166 -18.819 -1.813 1.00 0.00 C ATOM 975 C LYS B 233 93.630 -19.879 -0.794 1.00 0.00 C ATOM 976 O LYS B 233 93.776 -21.044 -1.123 1.00 0.00 O ATOM 977 CB LYS B 233 94.354 -17.872 -2.277 1.00 0.00 C ATOM 978 CG LYS B 233 95.505 -18.643 -3.084 1.00 0.00 C ATOM 979 CD LYS B 233 96.653 -17.641 -3.581 1.00 0.00 C ATOM 980 CE LYS B 233 97.781 -18.393 -4.395 1.00 0.00 C ATOM 981 NZ LYS B 233 98.420 -19.408 -3.512 1.00 0.00 N ATOM 0 H LYS B 233 92.365 -16.969 -1.084 1.00 0.00 H new ATOM 0 HA LYS B 233 92.787 -19.358 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS B 233 93.951 -17.077 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS B 233 94.792 -17.395 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS B 233 95.943 -19.412 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS B 233 95.069 -19.152 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS B 233 96.211 -16.864 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS B 233 97.098 -17.143 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS B 233 97.353 -18.875 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS B 233 98.526 -17.682 -4.752 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 99.278 -19.776 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 98.674 -18.968 -2.604 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 97.755 -20.190 -3.344 1.00 0.00 H new ATOM 995 N SER B 234 93.836 -19.428 0.460 1.00 0.00 N ATOM 996 CA SER B 234 94.279 -20.317 1.604 1.00 0.00 C ATOM 997 C SER B 234 93.203 -21.380 1.939 1.00 0.00 C ATOM 998 O SER B 234 93.518 -22.430 2.454 1.00 0.00 O ATOM 999 CB SER B 234 94.576 -19.424 2.848 1.00 0.00 C ATOM 1000 OG SER B 234 95.036 -20.242 3.918 1.00 0.00 O ATOM 0 H SER B 234 93.708 -18.452 0.728 1.00 0.00 H new ATOM 0 HA SER B 234 95.182 -20.853 1.311 1.00 0.00 H new ATOM 0 HB2 SER B 234 95.327 -18.674 2.600 1.00 0.00 H new ATOM 0 HB3 SER B 234 93.676 -18.887 3.147 1.00 0.00 H new ATOM 0 HG SER B 234 95.225 -19.682 4.700 1.00 0.00 H new ATOM 1006 N LEU B 235 91.924 -21.047 1.644 1.00 0.00 N ATOM 1007 CA LEU B 235 90.714 -21.944 1.909 1.00 0.00 C ATOM 1008 C LEU B 235 90.392 -22.839 0.676 1.00 0.00 C ATOM 1009 O LEU B 235 89.737 -23.862 0.825 1.00 0.00 O ATOM 1010 CB LEU B 235 89.494 -20.992 2.278 1.00 0.00 C ATOM 1011 CG LEU B 235 88.076 -21.738 2.535 1.00 0.00 C ATOM 1012 CD1 LEU B 235 88.171 -22.840 3.671 1.00 0.00 C ATOM 1013 CD2 LEU B 235 86.940 -20.668 2.880 1.00 0.00 C ATOM 0 H LEU B 235 91.675 -20.156 1.215 1.00 0.00 H new ATOM 0 HA LEU B 235 90.919 -22.629 2.732 1.00 0.00 H new ATOM 0 HB2 LEU B 235 89.755 -20.427 3.173 1.00 0.00 H new ATOM 0 HB3 LEU B 235 89.363 -20.270 1.472 1.00 0.00 H new ATOM 0 HG LEU B 235 87.810 -22.255 1.613 1.00 0.00 H new ATOM 0 HD11 LEU B 235 87.197 -23.310 3.805 1.00 0.00 H new ATOM 0 HD12 LEU B 235 88.902 -23.596 3.384 1.00 0.00 H new ATOM 0 HD13 LEU B 235 88.480 -22.373 4.606 1.00 0.00 H new ATOM 0 HD21 LEU B 235 85.995 -21.183 3.050 1.00 0.00 H new ATOM 0 HD22 LEU B 235 87.220 -20.117 3.778 1.00 0.00 H new ATOM 0 HD23 LEU B 235 86.830 -19.973 2.048 1.00 0.00 H new ATOM 1025 N LEU B 236 90.789 -22.390 -0.550 1.00 0.00 N ATOM 1026 CA LEU B 236 90.456 -23.123 -1.857 1.00 0.00 C ATOM 1027 C LEU B 236 91.402 -24.329 -2.150 1.00 0.00 C ATOM 1028 O LEU B 236 90.976 -25.248 -2.840 1.00 0.00 O ATOM 1029 CB LEU B 236 90.510 -22.053 -3.033 1.00 0.00 C ATOM 1030 CG LEU B 236 90.178 -22.621 -4.517 1.00 0.00 C ATOM 1031 CD1 LEU B 236 88.749 -23.298 -4.600 1.00 0.00 C ATOM 1032 CD2 LEU B 236 90.313 -21.454 -5.601 1.00 0.00 C ATOM 0 H LEU B 236 91.334 -21.538 -0.684 1.00 0.00 H new ATOM 0 HA LEU B 236 89.462 -23.561 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU B 236 89.806 -21.253 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU B 236 91.505 -21.607 -3.049 1.00 0.00 H new ATOM 0 HG LEU B 236 90.909 -23.399 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU B 236 88.577 -23.661 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU B 236 88.701 -24.134 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU B 236 87.984 -22.566 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU B 236 90.088 -21.849 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU B 236 89.613 -20.653 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU B 236 91.330 -21.063 -5.590 1.00 0.00 H new ATOM 1214 N LEU C 211 87.319 10.387 16.279 1.00 0.00 N ATOM 1215 CA LEU C 211 86.432 9.551 15.355 1.00 0.00 C ATOM 1216 C LEU C 211 86.502 10.185 13.941 1.00 0.00 C ATOM 1217 O LEU C 211 86.766 9.523 12.945 1.00 0.00 O ATOM 1218 CB LEU C 211 84.919 9.505 15.914 1.00 0.00 C ATOM 1219 CG LEU C 211 84.093 8.176 15.495 1.00 0.00 C ATOM 1220 CD1 LEU C 211 82.631 8.185 16.123 1.00 0.00 C ATOM 1221 CD2 LEU C 211 84.034 7.996 13.919 1.00 0.00 C ATOM 0 HA LEU C 211 86.780 8.519 15.312 1.00 0.00 H new ATOM 0 HB2 LEU C 211 84.944 9.575 17.001 1.00 0.00 H new ATOM 0 HB3 LEU C 211 84.383 10.381 15.550 1.00 0.00 H new ATOM 0 HG LEU C 211 84.629 7.319 15.903 1.00 0.00 H new ATOM 0 HD11 LEU C 211 82.101 7.281 15.824 1.00 0.00 H new ATOM 0 HD12 LEU C 211 82.702 8.221 17.210 1.00 0.00 H new ATOM 0 HD13 LEU C 211 82.087 9.059 15.766 1.00 0.00 H new ATOM 0 HD21 LEU C 211 83.472 7.094 13.677 1.00 0.00 H new ATOM 0 HD22 LEU C 211 83.543 8.861 13.472 1.00 0.00 H new ATOM 0 HD23 LEU C 211 85.046 7.910 13.525 1.00 0.00 H new ATOM 1233 N SER C 212 86.258 11.510 13.904 1.00 0.00 N ATOM 1234 CA SER C 212 86.272 12.340 12.627 1.00 0.00 C ATOM 1235 C SER C 212 87.647 12.239 11.911 1.00 0.00 C ATOM 1236 O SER C 212 87.730 12.247 10.697 1.00 0.00 O ATOM 1237 CB SER C 212 85.919 13.820 12.992 1.00 0.00 C ATOM 1238 OG SER C 212 84.618 13.849 13.564 1.00 0.00 O ATOM 0 H SER C 212 86.044 12.056 14.739 1.00 0.00 H new ATOM 0 HA SER C 212 85.528 11.956 11.929 1.00 0.00 H new ATOM 0 HB2 SER C 212 86.650 14.221 13.694 1.00 0.00 H new ATOM 0 HB3 SER C 212 85.955 14.448 12.102 1.00 0.00 H new ATOM 0 HG SER C 212 84.385 14.771 13.799 1.00 0.00 H new ATOM 1244 N GLY C 213 88.709 12.147 12.723 1.00 0.00 N ATOM 1245 CA GLY C 213 90.131 12.010 12.225 1.00 0.00 C ATOM 1246 C GLY C 213 90.403 10.587 11.705 1.00 0.00 C ATOM 1247 O GLY C 213 91.135 10.394 10.747 1.00 0.00 O ATOM 0 H GLY C 213 88.634 12.163 13.740 1.00 0.00 H new ATOM 0 HA2 GLY C 213 90.311 12.732 11.429 1.00 0.00 H new ATOM 0 HA3 GLY C 213 90.826 12.245 13.031 1.00 0.00 H new ATOM 1251 N ILE C 214 89.824 9.584 12.415 1.00 0.00 N ATOM 1252 CA ILE C 214 90.018 8.102 12.107 1.00 0.00 C ATOM 1253 C ILE C 214 89.448 7.717 10.705 1.00 0.00 C ATOM 1254 O ILE C 214 90.084 6.974 9.964 1.00 0.00 O ATOM 1255 CB ILE C 214 89.350 7.226 13.281 1.00 0.00 C ATOM 1256 CG1 ILE C 214 89.839 7.737 14.745 1.00 0.00 C ATOM 1257 CG2 ILE C 214 89.655 5.660 13.113 1.00 0.00 C ATOM 1258 CD1 ILE C 214 91.383 7.689 14.969 1.00 0.00 C ATOM 0 H ILE C 214 89.212 9.754 13.213 1.00 0.00 H new ATOM 0 HA ILE C 214 91.086 7.889 12.068 1.00 0.00 H new ATOM 0 HB ILE C 214 88.272 7.366 13.202 1.00 0.00 H new ATOM 0 HG12 ILE C 214 89.496 8.761 14.891 1.00 0.00 H new ATOM 0 HG13 ILE C 214 89.355 7.127 15.508 1.00 0.00 H new ATOM 0 HG21 ILE C 214 89.185 5.108 13.927 1.00 0.00 H new ATOM 0 HG22 ILE C 214 89.256 5.312 12.161 1.00 0.00 H new ATOM 0 HG23 ILE C 214 90.732 5.494 13.137 1.00 0.00 H new ATOM 0 HD11 ILE C 214 91.617 8.048 15.971 1.00 0.00 H new ATOM 0 HD12 ILE C 214 91.735 6.663 14.859 1.00 0.00 H new ATOM 0 HD13 ILE C 214 91.877 8.323 14.233 1.00 0.00 H new ATOM 1270 N ILE C 215 88.224 8.209 10.365 1.00 0.00 N ATOM 1271 CA ILE C 215 87.544 7.881 9.031 1.00 0.00 C ATOM 1272 C ILE C 215 88.360 8.460 7.832 1.00 0.00 C ATOM 1273 O ILE C 215 88.388 7.858 6.772 1.00 0.00 O ATOM 1274 CB ILE C 215 86.004 8.345 9.042 1.00 0.00 C ATOM 1275 CG1 ILE C 215 85.253 7.943 7.661 1.00 0.00 C ATOM 1276 CG2 ILE C 215 85.889 9.902 9.335 1.00 0.00 C ATOM 1277 CD1 ILE C 215 83.713 8.181 7.701 1.00 0.00 C ATOM 0 H ILE C 215 87.678 8.825 10.968 1.00 0.00 H new ATOM 0 HA ILE C 215 87.533 6.799 8.896 1.00 0.00 H new ATOM 0 HB ILE C 215 85.499 7.814 9.848 1.00 0.00 H new ATOM 0 HG12 ILE C 215 85.681 8.521 6.842 1.00 0.00 H new ATOM 0 HG13 ILE C 215 85.445 6.892 7.444 1.00 0.00 H new ATOM 0 HG21 ILE C 215 84.839 10.195 9.338 1.00 0.00 H new ATOM 0 HG22 ILE C 215 86.330 10.123 10.307 1.00 0.00 H new ATOM 0 HG23 ILE C 215 86.419 10.458 8.561 1.00 0.00 H new ATOM 0 HD11 ILE C 215 83.275 7.891 6.746 1.00 0.00 H new ATOM 0 HD12 ILE C 215 83.273 7.582 8.499 1.00 0.00 H new ATOM 0 HD13 ILE C 215 83.513 9.236 7.887 1.00 0.00 H new ATOM 1289 N ILE C 216 89.025 9.641 8.007 1.00 0.00 N ATOM 1290 CA ILE C 216 89.868 10.279 6.892 1.00 0.00 C ATOM 1291 C ILE C 216 91.135 9.397 6.623 1.00 0.00 C ATOM 1292 O ILE C 216 91.580 9.285 5.496 1.00 0.00 O ATOM 1293 CB ILE C 216 90.260 11.795 7.292 1.00 0.00 C ATOM 1294 CG1 ILE C 216 88.914 12.675 7.496 1.00 0.00 C ATOM 1295 CG2 ILE C 216 91.210 12.478 6.182 1.00 0.00 C ATOM 1296 CD1 ILE C 216 89.180 14.097 8.079 1.00 0.00 C ATOM 0 H ILE C 216 89.010 10.175 8.876 1.00 0.00 H new ATOM 0 HA ILE C 216 89.290 10.325 5.969 1.00 0.00 H new ATOM 0 HB ILE C 216 90.819 11.762 8.227 1.00 0.00 H new ATOM 0 HG12 ILE C 216 88.406 12.774 6.537 1.00 0.00 H new ATOM 0 HG13 ILE C 216 88.237 12.139 8.162 1.00 0.00 H new ATOM 0 HG21 ILE C 216 91.452 13.496 6.487 1.00 0.00 H new ATOM 0 HG22 ILE C 216 92.129 11.900 6.085 1.00 0.00 H new ATOM 0 HG23 ILE C 216 90.692 12.500 5.223 1.00 0.00 H new ATOM 0 HD11 ILE C 216 88.234 14.628 8.188 1.00 0.00 H new ATOM 0 HD12 ILE C 216 89.660 14.007 9.053 1.00 0.00 H new ATOM 0 HD13 ILE C 216 89.831 14.651 7.403 1.00 0.00 H new ATOM 1308 N TYR C 217 91.726 8.837 7.703 1.00 0.00 N ATOM 1309 CA TYR C 217 93.006 8.005 7.623 1.00 0.00 C ATOM 1310 C TYR C 217 92.850 6.642 6.868 1.00 0.00 C ATOM 1311 O TYR C 217 93.713 6.292 6.064 1.00 0.00 O ATOM 1312 CB TYR C 217 93.547 7.786 9.102 1.00 0.00 C ATOM 1313 CG TYR C 217 93.684 9.110 9.991 1.00 0.00 C ATOM 1314 CD1 TYR C 217 93.762 8.983 11.426 1.00 0.00 C ATOM 1315 CD2 TYR C 217 93.755 10.446 9.443 1.00 0.00 C ATOM 1316 CE1 TYR C 217 93.897 10.125 12.249 1.00 0.00 C ATOM 1317 CE2 TYR C 217 93.888 11.566 10.302 1.00 0.00 C ATOM 1318 CZ TYR C 217 93.957 11.399 11.686 1.00 0.00 C ATOM 1319 OH TYR C 217 94.086 12.507 12.505 1.00 0.00 O ATOM 0 H TYR C 217 91.358 8.931 8.650 1.00 0.00 H new ATOM 0 HA TYR C 217 93.724 8.563 7.021 1.00 0.00 H new ATOM 0 HB2 TYR C 217 92.880 7.093 9.615 1.00 0.00 H new ATOM 0 HB3 TYR C 217 94.524 7.305 9.045 1.00 0.00 H new ATOM 0 HD1 TYR C 217 93.717 8.003 11.878 1.00 0.00 H new ATOM 0 HD2 TYR C 217 93.706 10.592 8.374 1.00 0.00 H new ATOM 0 HE1 TYR C 217 93.954 10.009 13.321 1.00 0.00 H new ATOM 0 HE2 TYR C 217 93.936 12.559 9.881 1.00 0.00 H new ATOM 0 HH TYR C 217 94.114 13.318 11.956 1.00 0.00 H new ATOM 1329 N VAL C 218 91.786 5.839 7.172 1.00 0.00 N ATOM 1330 CA VAL C 218 91.609 4.453 6.520 1.00 0.00 C ATOM 1331 C VAL C 218 91.488 4.551 4.961 1.00 0.00 C ATOM 1332 O VAL C 218 91.952 3.673 4.242 1.00 0.00 O ATOM 1333 CB VAL C 218 90.381 3.660 7.194 1.00 0.00 C ATOM 1334 CG1 VAL C 218 90.616 3.517 8.777 1.00 0.00 C ATOM 1335 CG2 VAL C 218 88.989 4.390 6.909 1.00 0.00 C ATOM 0 H VAL C 218 91.052 6.091 7.834 1.00 0.00 H new ATOM 0 HA VAL C 218 92.510 3.870 6.711 1.00 0.00 H new ATOM 0 HB VAL C 218 90.337 2.667 6.746 1.00 0.00 H new ATOM 0 HG11 VAL C 218 89.779 2.979 9.222 1.00 0.00 H new ATOM 0 HG12 VAL C 218 91.539 2.967 8.960 1.00 0.00 H new ATOM 0 HG13 VAL C 218 90.690 4.508 9.225 1.00 0.00 H new ATOM 0 HG21 VAL C 218 88.181 3.829 7.378 1.00 0.00 H new ATOM 0 HG22 VAL C 218 89.016 5.399 7.321 1.00 0.00 H new ATOM 0 HG23 VAL C 218 88.819 4.441 5.834 1.00 0.00 H new ATOM 1345 N THR C 219 90.845 5.642 4.468 1.00 0.00 N ATOM 1346 CA THR C 219 90.634 5.897 2.975 1.00 0.00 C ATOM 1347 C THR C 219 91.985 6.158 2.252 1.00 0.00 C ATOM 1348 O THR C 219 92.257 5.566 1.220 1.00 0.00 O ATOM 1349 CB THR C 219 89.683 7.156 2.805 1.00 0.00 C ATOM 1350 OG1 THR C 219 90.315 8.283 3.405 1.00 0.00 O ATOM 1351 CG2 THR C 219 88.287 6.938 3.500 1.00 0.00 C ATOM 0 H THR C 219 90.455 6.372 5.064 1.00 0.00 H new ATOM 0 HA THR C 219 90.180 5.014 2.526 1.00 0.00 H new ATOM 0 HB THR C 219 89.511 7.311 1.740 1.00 0.00 H new ATOM 0 HG1 THR C 219 90.366 8.152 4.375 1.00 0.00 H new ATOM 0 HG21 THR C 219 87.668 7.824 3.359 1.00 0.00 H new ATOM 0 HG22 THR C 219 87.791 6.074 3.057 1.00 0.00 H new ATOM 0 HG23 THR C 219 88.434 6.764 4.566 1.00 0.00 H new ATOM 1359 N VAL C 220 92.824 7.061 2.824 1.00 0.00 N ATOM 1360 CA VAL C 220 94.187 7.429 2.234 1.00 0.00 C ATOM 1361 C VAL C 220 95.141 6.208 2.344 1.00 0.00 C ATOM 1362 O VAL C 220 95.974 5.983 1.475 1.00 0.00 O ATOM 1363 CB VAL C 220 94.750 8.727 2.991 1.00 0.00 C ATOM 1364 CG1 VAL C 220 96.200 9.163 2.447 1.00 0.00 C ATOM 1365 CG2 VAL C 220 93.718 9.949 2.827 1.00 0.00 C ATOM 0 H VAL C 220 92.604 7.557 3.687 1.00 0.00 H new ATOM 0 HA VAL C 220 94.102 7.677 1.176 1.00 0.00 H new ATOM 0 HB VAL C 220 94.856 8.470 4.045 1.00 0.00 H new ATOM 0 HG11 VAL C 220 96.541 10.046 2.988 1.00 0.00 H new ATOM 0 HG12 VAL C 220 96.907 8.347 2.601 1.00 0.00 H new ATOM 0 HG13 VAL C 220 96.136 9.392 1.383 1.00 0.00 H new ATOM 0 HG21 VAL C 220 94.108 10.826 3.344 1.00 0.00 H new ATOM 0 HG22 VAL C 220 93.590 10.178 1.769 1.00 0.00 H new ATOM 0 HG23 VAL C 220 92.755 9.672 3.257 1.00 0.00 H new ATOM 1375 N ALA C 221 94.994 5.431 3.447 1.00 0.00 N ATOM 1376 CA ALA C 221 95.847 4.199 3.721 1.00 0.00 C ATOM 1377 C ALA C 221 95.629 3.106 2.629 1.00 0.00 C ATOM 1378 O ALA C 221 96.536 2.352 2.305 1.00 0.00 O ATOM 1379 CB ALA C 221 95.508 3.641 5.152 1.00 0.00 C ATOM 0 H ALA C 221 94.301 5.618 4.172 1.00 0.00 H new ATOM 0 HA ALA C 221 96.899 4.482 3.686 1.00 0.00 H new ATOM 0 HB1 ALA C 221 96.116 2.759 5.352 1.00 0.00 H new ATOM 0 HB2 ALA C 221 95.720 4.405 5.900 1.00 0.00 H new ATOM 0 HB3 ALA C 221 94.453 3.372 5.197 1.00 0.00 H new ATOM 1385 N ALA C 222 94.381 3.014 2.111 1.00 0.00 N ATOM 1386 CA ALA C 222 94.000 1.987 1.057 1.00 0.00 C ATOM 1387 C ALA C 222 94.656 2.306 -0.319 1.00 0.00 C ATOM 1388 O ALA C 222 95.047 1.403 -1.039 1.00 0.00 O ATOM 1389 CB ALA C 222 92.429 1.952 0.947 1.00 0.00 C ATOM 0 H ALA C 222 93.612 3.624 2.390 1.00 0.00 H new ATOM 0 HA ALA C 222 94.372 1.006 1.354 1.00 0.00 H new ATOM 0 HB1 ALA C 222 92.133 1.220 0.195 1.00 0.00 H new ATOM 0 HB2 ALA C 222 92.003 1.674 1.911 1.00 0.00 H new ATOM 0 HB3 ALA C 222 92.062 2.937 0.659 1.00 0.00 H new ATOM 1395 N VAL C 223 94.728 3.611 -0.678 1.00 0.00 N ATOM 1396 CA VAL C 223 95.307 4.077 -2.015 1.00 0.00 C ATOM 1397 C VAL C 223 96.842 3.821 -2.097 1.00 0.00 C ATOM 1398 O VAL C 223 97.317 3.348 -3.124 1.00 0.00 O ATOM 1399 CB VAL C 223 94.939 5.625 -2.238 1.00 0.00 C ATOM 1400 CG1 VAL C 223 95.531 6.204 -3.619 1.00 0.00 C ATOM 1401 CG2 VAL C 223 93.344 5.819 -2.213 1.00 0.00 C ATOM 0 H VAL C 223 94.402 4.373 -0.084 1.00 0.00 H new ATOM 0 HA VAL C 223 94.862 3.493 -2.821 1.00 0.00 H new ATOM 0 HB VAL C 223 95.398 6.185 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL C 223 95.254 7.253 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL C 223 96.617 6.114 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL C 223 95.123 5.637 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL C 223 93.103 6.871 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL C 223 92.893 5.225 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL C 223 92.953 5.493 -1.249 1.00 0.00 H new ATOM 1411 N VAL C 224 97.625 4.169 -1.028 1.00 0.00 N ATOM 1412 CA VAL C 224 99.148 3.988 -1.054 1.00 0.00 C ATOM 1413 C VAL C 224 99.533 2.486 -1.193 1.00 0.00 C ATOM 1414 O VAL C 224 100.547 2.154 -1.780 1.00 0.00 O ATOM 1415 CB VAL C 224 99.829 4.679 0.234 1.00 0.00 C ATOM 1416 CG1 VAL C 224 99.441 6.238 0.293 1.00 0.00 C ATOM 1417 CG2 VAL C 224 99.383 3.958 1.588 1.00 0.00 C ATOM 0 H VAL C 224 97.262 4.563 -0.160 1.00 0.00 H new ATOM 0 HA VAL C 224 99.540 4.495 -1.935 1.00 0.00 H new ATOM 0 HB VAL C 224 100.910 4.576 0.136 1.00 0.00 H new ATOM 0 HG11 VAL C 224 99.906 6.696 1.166 1.00 0.00 H new ATOM 0 HG12 VAL C 224 99.796 6.736 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL C 224 98.358 6.341 0.362 1.00 0.00 H new ATOM 0 HG21 VAL C 224 99.860 4.449 2.436 1.00 0.00 H new ATOM 0 HG22 VAL C 224 98.300 4.022 1.694 1.00 0.00 H new ATOM 0 HG23 VAL C 224 99.684 2.911 1.559 1.00 0.00 H new ATOM 1427 N LEU C 225 98.690 1.596 -0.610 1.00 0.00 N ATOM 1428 CA LEU C 225 98.926 0.089 -0.624 1.00 0.00 C ATOM 1429 C LEU C 225 98.909 -0.494 -2.074 1.00 0.00 C ATOM 1430 O LEU C 225 99.706 -1.371 -2.391 1.00 0.00 O ATOM 1431 CB LEU C 225 97.819 -0.573 0.304 1.00 0.00 C ATOM 1432 CG LEU C 225 97.875 -2.188 0.419 1.00 0.00 C ATOM 1433 CD1 LEU C 225 99.290 -2.712 0.902 1.00 0.00 C ATOM 1434 CD2 LEU C 225 96.717 -2.716 1.392 1.00 0.00 C ATOM 0 H LEU C 225 97.839 1.872 -0.121 1.00 0.00 H new ATOM 0 HA LEU C 225 99.920 -0.139 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU C 225 97.911 -0.152 1.305 1.00 0.00 H new ATOM 0 HB3 LEU C 225 96.837 -0.287 -0.073 1.00 0.00 H new ATOM 0 HG LEU C 225 97.714 -2.588 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU C 225 99.274 -3.800 0.962 1.00 0.00 H new ATOM 0 HD12 LEU C 225 100.056 -2.399 0.192 1.00 0.00 H new ATOM 0 HD13 LEU C 225 99.515 -2.298 1.885 1.00 0.00 H new ATOM 0 HD21 LEU C 225 96.766 -3.803 1.460 1.00 0.00 H new ATOM 0 HD22 LEU C 225 96.850 -2.284 2.384 1.00 0.00 H new ATOM 0 HD23 LEU C 225 95.746 -2.421 0.995 1.00 0.00 H new ATOM 1446 N ILE C 226 97.959 -0.024 -2.926 1.00 0.00 N ATOM 1447 CA ILE C 226 97.808 -0.550 -4.357 1.00 0.00 C ATOM 1448 C ILE C 226 98.994 -0.096 -5.279 1.00 0.00 C ATOM 1449 O ILE C 226 99.604 -0.916 -5.940 1.00 0.00 O ATOM 1450 CB ILE C 226 96.382 -0.062 -4.938 1.00 0.00 C ATOM 1451 CG1 ILE C 226 95.186 -0.580 -3.973 1.00 0.00 C ATOM 1452 CG2 ILE C 226 96.144 -0.579 -6.448 1.00 0.00 C ATOM 1453 CD1 ILE C 226 93.792 0.018 -4.333 1.00 0.00 C ATOM 0 H ILE C 226 97.288 0.703 -2.677 1.00 0.00 H new ATOM 0 HA ILE C 226 97.841 -1.639 -4.342 1.00 0.00 H new ATOM 0 HB ILE C 226 96.385 1.028 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE C 226 95.131 -1.667 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE C 226 95.426 -0.325 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE C 226 95.174 -0.230 -6.803 1.00 0.00 H new ATOM 0 HG22 ILE C 226 96.930 -0.188 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE C 226 96.167 -1.669 -6.467 1.00 0.00 H new ATOM 0 HD11 ILE C 226 93.040 -0.372 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE C 226 93.830 1.104 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE C 226 93.530 -0.259 -5.354 1.00 0.00 H new ATOM 1465 N VAL C 227 99.246 1.235 -5.373 1.00 0.00 N ATOM 1466 CA VAL C 227 100.332 1.820 -6.291 1.00 0.00 C ATOM 1467 C VAL C 227 101.799 1.496 -5.860 1.00 0.00 C ATOM 1468 O VAL C 227 102.648 1.280 -6.710 1.00 0.00 O ATOM 1469 CB VAL C 227 100.067 3.392 -6.479 1.00 0.00 C ATOM 1470 CG1 VAL C 227 100.224 4.166 -5.098 1.00 0.00 C ATOM 1471 CG2 VAL C 227 101.012 4.036 -7.607 1.00 0.00 C ATOM 0 H VAL C 227 98.734 1.940 -4.842 1.00 0.00 H new ATOM 0 HA VAL C 227 100.246 1.320 -7.256 1.00 0.00 H new ATOM 0 HB VAL C 227 99.038 3.503 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL C 227 100.039 5.229 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL C 227 99.506 3.774 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL C 227 101.235 4.026 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL C 227 100.796 5.101 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL C 227 102.057 3.900 -7.327 1.00 0.00 H new ATOM 0 HG23 VAL C 227 100.825 3.545 -8.562 1.00 0.00 H new ATOM 1481 N ALA C 228 102.095 1.570 -4.536 1.00 0.00 N ATOM 1482 CA ALA C 228 103.518 1.407 -3.980 1.00 0.00 C ATOM 1483 C ALA C 228 104.188 0.037 -4.317 1.00 0.00 C ATOM 1484 O ALA C 228 105.383 -0.006 -4.585 1.00 0.00 O ATOM 1485 CB ALA C 228 103.482 1.637 -2.421 1.00 0.00 C ATOM 0 H ALA C 228 101.392 1.739 -3.817 1.00 0.00 H new ATOM 0 HA ALA C 228 104.140 2.155 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA C 228 104.487 1.524 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA C 228 103.115 2.642 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA C 228 102.819 0.905 -1.960 1.00 0.00 H new ATOM 1491 N VAL C 229 103.421 -1.074 -4.274 1.00 0.00 N ATOM 1492 CA VAL C 229 103.978 -2.472 -4.568 1.00 0.00 C ATOM 1493 C VAL C 229 104.489 -2.567 -6.045 1.00 0.00 C ATOM 1494 O VAL C 229 105.459 -3.267 -6.304 1.00 0.00 O ATOM 1495 CB VAL C 229 102.898 -3.594 -4.182 1.00 0.00 C ATOM 1496 CG1 VAL C 229 101.508 -3.315 -4.898 1.00 0.00 C ATOM 1497 CG2 VAL C 229 103.429 -5.075 -4.505 1.00 0.00 C ATOM 0 H VAL C 229 102.427 -1.063 -4.045 1.00 0.00 H new ATOM 0 HA VAL C 229 104.850 -2.658 -3.941 1.00 0.00 H new ATOM 0 HB VAL C 229 102.743 -3.537 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL C 229 100.793 -4.090 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL C 229 101.128 -2.342 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL C 229 101.648 -3.322 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL C 229 102.667 -5.803 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL C 229 103.643 -5.161 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL C 229 104.338 -5.268 -3.936 1.00 0.00 H new ATOM 1507 N PHE C 230 103.832 -1.859 -7.015 1.00 0.00 N ATOM 1508 CA PHE C 230 104.287 -1.891 -8.482 1.00 0.00 C ATOM 1509 C PHE C 230 105.653 -1.139 -8.651 1.00 0.00 C ATOM 1510 O PHE C 230 106.405 -1.443 -9.568 1.00 0.00 O ATOM 1511 CB PHE C 230 103.168 -1.270 -9.420 1.00 0.00 C ATOM 1512 CG PHE C 230 101.903 -2.234 -9.529 1.00 0.00 C ATOM 1513 CD1 PHE C 230 100.647 -1.915 -8.920 1.00 0.00 C ATOM 1514 CD2 PHE C 230 102.009 -3.468 -10.252 1.00 0.00 C ATOM 1515 CE1 PHE C 230 99.547 -2.800 -9.031 1.00 0.00 C ATOM 1516 CE2 PHE C 230 100.901 -4.342 -10.356 1.00 0.00 C ATOM 1517 CZ PHE C 230 99.675 -4.008 -9.746 1.00 0.00 C ATOM 0 H PHE C 230 103.015 -1.275 -6.839 1.00 0.00 H new ATOM 0 HA PHE C 230 104.439 -2.928 -8.780 1.00 0.00 H new ATOM 0 HB2 PHE C 230 102.857 -0.302 -9.027 1.00 0.00 H new ATOM 0 HB3 PHE C 230 103.580 -1.094 -10.414 1.00 0.00 H new ATOM 0 HD1 PHE C 230 100.538 -0.991 -8.371 1.00 0.00 H new ATOM 0 HD2 PHE C 230 102.944 -3.733 -10.722 1.00 0.00 H new ATOM 0 HE1 PHE C 230 98.606 -2.548 -8.566 1.00 0.00 H new ATOM 0 HE2 PHE C 230 100.995 -5.268 -10.904 1.00 0.00 H new ATOM 0 HZ PHE C 230 98.832 -4.679 -9.827 1.00 0.00 H new ATOM 1527 N VAL C 231 105.948 -0.145 -7.759 1.00 0.00 N ATOM 1528 CA VAL C 231 107.249 0.671 -7.826 1.00 0.00 C ATOM 1529 C VAL C 231 108.480 -0.230 -7.476 1.00 0.00 C ATOM 1530 O VAL C 231 109.474 -0.222 -8.194 1.00 0.00 O ATOM 1531 CB VAL C 231 107.158 1.950 -6.854 1.00 0.00 C ATOM 1532 CG1 VAL C 231 108.479 2.868 -6.934 1.00 0.00 C ATOM 1533 CG2 VAL C 231 105.866 2.830 -7.221 1.00 0.00 C ATOM 0 H VAL C 231 105.331 0.123 -6.992 1.00 0.00 H new ATOM 0 HA VAL C 231 107.385 1.035 -8.844 1.00 0.00 H new ATOM 0 HB VAL C 231 107.075 1.576 -5.833 1.00 0.00 H new ATOM 0 HG11 VAL C 231 108.372 3.719 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL C 231 109.349 2.280 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL C 231 108.611 3.227 -7.955 1.00 0.00 H new ATOM 0 HG21 VAL C 231 105.813 3.693 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL C 231 105.939 3.170 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL C 231 104.967 2.225 -7.101 1.00 0.00 H new ATOM 1543 N CYS C 232 108.404 -0.979 -6.333 1.00 0.00 N ATOM 1544 CA CYS C 232 109.551 -1.872 -5.851 1.00 0.00 C ATOM 1545 C CYS C 232 109.836 -3.019 -6.865 1.00 0.00 C ATOM 1546 O CYS C 232 110.978 -3.407 -7.069 1.00 0.00 O ATOM 1547 CB CYS C 232 109.221 -2.431 -4.411 1.00 0.00 C ATOM 1548 SG CYS C 232 107.781 -3.539 -4.435 1.00 0.00 S ATOM 0 H CYS C 232 107.584 -0.995 -5.726 1.00 0.00 H new ATOM 0 HA CYS C 232 110.461 -1.276 -5.787 1.00 0.00 H new ATOM 0 HB2 CYS C 232 110.086 -2.967 -4.021 1.00 0.00 H new ATOM 0 HB3 CYS C 232 109.029 -1.600 -3.733 1.00 0.00 H new ATOM 0 HG CYS C 232 107.035 -3.259 -5.462 1.00 0.00 H new ATOM 1554 N LYS C 233 108.751 -3.537 -7.495 1.00 0.00 N ATOM 1555 CA LYS C 233 108.821 -4.655 -8.530 1.00 0.00 C ATOM 1556 C LYS C 233 109.566 -4.158 -9.796 1.00 0.00 C ATOM 1557 O LYS C 233 110.451 -4.831 -10.308 1.00 0.00 O ATOM 1558 CB LYS C 233 107.335 -5.121 -8.842 1.00 0.00 C ATOM 1559 CG LYS C 233 107.253 -6.348 -9.868 1.00 0.00 C ATOM 1560 CD LYS C 233 105.748 -6.864 -10.064 1.00 0.00 C ATOM 1561 CE LYS C 233 105.665 -8.064 -11.092 1.00 0.00 C ATOM 1562 NZ LYS C 233 106.118 -7.590 -12.432 1.00 0.00 N ATOM 0 H LYS C 233 107.801 -3.210 -7.317 1.00 0.00 H new ATOM 0 HA LYS C 233 109.384 -5.509 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS C 233 106.848 -5.405 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS C 233 106.776 -4.279 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS C 233 107.661 -6.043 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS C 233 107.873 -7.167 -9.504 1.00 0.00 H new ATOM 0 HD2 LYS C 233 105.345 -7.181 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS C 233 105.125 -6.041 -10.415 1.00 0.00 H new ATOM 0 HE2 LYS C 233 106.289 -8.892 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS C 233 104.643 -8.439 -11.151 1.00 0.00 H new ATOM 0 HZ1 LYS C 233 105.893 -8.309 -13.149 1.00 0.00 H new ATOM 0 HZ2 LYS C 233 105.632 -6.702 -12.669 1.00 0.00 H new ATOM 0 HZ3 LYS C 233 107.145 -7.428 -12.414 1.00 0.00 H new