USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ -130:sc= 1.65 (180deg=-0.0434) USER MOD Set 1.2: A 67 TYR OH : rot 90:sc= 0.711 USER MOD Set 1.3: A 103 CYS SG : rot -60:sc= 0.25! USER MOD Set 2.1: A 43 SER OG : rot -27:sc= 0.187 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.281 USER MOD Set 3.1: A 33 ASN : amide:sc= 0.405 K(o=1,f=-7.2!) USER MOD Set 3.2: A 110 CYS SG : rot 22:sc= 0.615 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= -0.0786 (180deg=-0.311) USER MOD Single : A 18 THR OG1 : rot -57:sc= 0.526 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= 0.565 (180deg=0.345) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 32 MET CE :methyl -175:sc= -0.389 (180deg=-0.447) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc=-0.00475 (180deg=-0.109) USER MOD Single : A 37 SER OG : rot -69:sc= 0.553 USER MOD Single : A 46 ASN : amide:sc= -4.4 K(o=-4.4,f=-7.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -17:sc= 0.354 USER MOD Single : A 53 SER OG : rot -170:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 129:sc= 1.14 (180deg=0.851) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00446 USER MOD Single : A 59 THR OG1 : rot -17:sc= 0.477 USER MOD Single : A 60 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= 0.753 (180deg=0.417) USER MOD Single : A 71 SER OG : rot 119:sc= -0.723 USER MOD Single : A 74 ASN : amide:sc= -0.191 K(o=-0.19,f=-2) USER MOD Single : A 77 TYR OH : rot -32:sc= 0.508 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 89 GLN :FLIP amide:sc= -1.52 F(o=-2.8,f=-1.5) USER MOD Single : A 93 GLN : amide:sc= -0.981 K(o=-0.98,f=-2.6) USER MOD Single : A 94 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.011) USER MOD Single : A 95 TYR OH : rot 15:sc= 0 USER MOD Single : A 96 SER OG : rot 45:sc= 1.24 USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00342) USER MOD Single : A 98 LYS NZ :NH3+ -109:sc= 1.07 (180deg=-1.38!) USER MOD Single : A 104 GLN : amide:sc= -0.121 K(o=-0.12,f=-3.2!) USER MOD Single : A 105 LYS NZ :NH3+ -129:sc= 1.18 (180deg=-0.149) USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.144 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -9.478 -1.537 -6.834 1.00 0.00 N ATOM 172 CA LYS A 13 -8.329 -2.362 -7.079 1.00 0.00 C ATOM 173 C LYS A 13 -7.043 -1.566 -7.240 1.00 0.00 C ATOM 174 O LYS A 13 -6.179 -1.692 -6.380 1.00 0.00 O ATOM 175 CB LYS A 13 -8.630 -3.396 -8.159 1.00 0.00 C ATOM 176 CG LYS A 13 -9.883 -4.214 -7.843 1.00 0.00 C ATOM 177 CD LYS A 13 -9.747 -5.162 -6.634 1.00 0.00 C ATOM 178 CE LYS A 13 -11.087 -5.729 -6.130 1.00 0.00 C ATOM 179 NZ LYS A 13 -12.082 -4.712 -5.794 1.00 0.00 N ATOM 0 HA LYS A 13 -8.117 -2.947 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.760 -2.891 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.777 -4.067 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.710 -3.529 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.147 -4.803 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.093 -5.990 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.261 -4.627 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.501 -6.387 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.900 -6.343 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.845 -5.144 -5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.632 -3.955 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.479 -4.312 -6.668 1.00 0.00 H new ATOM 193 N TRP A 14 -6.905 -0.745 -8.319 1.00 0.00 N ATOM 194 CA TRP A 14 -5.605 -0.072 -8.385 1.00 0.00 C ATOM 195 C TRP A 14 -5.384 0.978 -7.289 1.00 0.00 C ATOM 196 O TRP A 14 -4.278 1.110 -6.783 1.00 0.00 O ATOM 197 CB TRP A 14 -5.005 0.361 -9.731 1.00 0.00 C ATOM 198 CG TRP A 14 -5.264 1.729 -10.349 1.00 0.00 C ATOM 199 CD1 TRP A 14 -6.115 2.037 -11.416 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.512 2.933 -10.096 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.904 3.324 -11.812 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.921 3.921 -11.029 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.547 3.226 -9.178 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.331 5.170 -11.000 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -2.975 4.487 -9.153 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.364 5.459 -10.059 1.00 0.00 C ATOM 0 H TRP A 14 -7.584 -0.556 -9.057 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.994 -0.952 -8.183 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.924 0.264 -9.634 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -5.327 -0.377 -10.466 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.830 1.359 -11.858 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.398 3.785 -12.576 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.229 2.475 -8.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.628 5.922 -11.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.217 4.715 -8.418 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.912 6.440 -10.029 1.00 0.00 H new ATOM 217 N PHE A 15 -6.480 1.684 -6.932 1.00 0.00 N ATOM 218 CA PHE A 15 -6.350 2.761 -5.953 1.00 0.00 C ATOM 219 C PHE A 15 -7.130 2.469 -4.649 1.00 0.00 C ATOM 220 O PHE A 15 -8.262 2.894 -4.452 1.00 0.00 O ATOM 221 CB PHE A 15 -6.820 4.032 -6.689 1.00 0.00 C ATOM 222 CG PHE A 15 -6.154 5.301 -6.227 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.777 5.444 -6.377 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.890 6.360 -5.706 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.147 6.636 -6.049 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.260 7.553 -5.367 1.00 0.00 C ATOM 227 CZ PHE A 15 -4.890 7.694 -5.544 1.00 0.00 C ATOM 0 H PHE A 15 -7.421 1.530 -7.294 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.324 2.877 -5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.637 3.908 -7.756 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.898 4.134 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.192 4.617 -6.753 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.956 6.256 -5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.081 6.740 -6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.838 8.372 -4.965 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.404 8.624 -5.289 1.00 0.00 H new ATOM 237 N PHE A 16 -6.419 1.720 -3.775 1.00 0.00 N ATOM 238 CA PHE A 16 -6.903 1.334 -2.446 1.00 0.00 C ATOM 239 C PHE A 16 -6.267 2.290 -1.420 1.00 0.00 C ATOM 240 O PHE A 16 -5.275 2.949 -1.707 1.00 0.00 O ATOM 241 CB PHE A 16 -6.432 -0.106 -2.104 1.00 0.00 C ATOM 242 CG PHE A 16 -7.286 -1.250 -2.605 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.544 -1.089 -3.190 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.792 -2.540 -2.436 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.294 -2.197 -3.571 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.536 -3.646 -2.823 1.00 0.00 C ATOM 247 CZ PHE A 16 -8.792 -3.475 -3.381 1.00 0.00 C ATOM 0 H PHE A 16 -5.485 1.367 -3.983 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.992 1.379 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.426 -0.236 -2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.359 -0.189 -1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.938 -0.096 -3.348 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.815 -2.683 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.269 -2.061 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.135 -4.640 -2.689 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.379 -4.335 -3.667 1.00 0.00 H new ATOM 257 N ARG A 17 -6.896 2.321 -0.216 1.00 0.00 N ATOM 258 CA ARG A 17 -6.352 3.156 0.854 1.00 0.00 C ATOM 259 C ARG A 17 -4.996 2.599 1.297 1.00 0.00 C ATOM 260 O ARG A 17 -3.947 3.107 0.933 1.00 0.00 O ATOM 261 CB ARG A 17 -7.273 3.217 2.094 1.00 0.00 C ATOM 262 CG ARG A 17 -8.373 4.270 1.993 1.00 0.00 C ATOM 263 CD ARG A 17 -9.017 4.631 3.345 1.00 0.00 C ATOM 264 NE ARG A 17 -9.303 3.446 4.161 1.00 0.00 N ATOM 265 CZ ARG A 17 -8.514 3.023 5.179 1.00 0.00 C ATOM 266 NH1 ARG A 17 -7.403 3.668 5.511 1.00 0.00 N ATOM 267 NH2 ARG A 17 -8.846 1.936 5.862 1.00 0.00 N ATOM 0 H ARG A 17 -7.740 1.799 0.019 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.259 4.164 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.731 2.239 2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.666 3.422 2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.958 5.174 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.148 3.908 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.352 5.296 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.942 5.180 3.169 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.144 2.909 3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.125 4.503 4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.827 3.329 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.693 1.421 5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.255 1.615 6.629 1.00 0.00 H new ATOM 281 N THR A 18 -5.110 1.537 2.116 1.00 0.00 N ATOM 282 CA THR A 18 -3.945 0.881 2.671 1.00 0.00 C ATOM 283 C THR A 18 -4.341 -0.474 3.260 1.00 0.00 C ATOM 284 O THR A 18 -4.569 -0.638 4.453 1.00 0.00 O ATOM 285 CB THR A 18 -3.219 1.723 3.770 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.444 0.995 4.780 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.132 2.845 4.349 1.00 0.00 C ATOM 0 H THR A 18 -6.000 1.127 2.398 1.00 0.00 H new ATOM 0 HA THR A 18 -3.243 0.757 1.846 1.00 0.00 H new ATOM 0 HB THR A 18 -2.414 2.209 3.219 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.025 0.353 5.238 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.585 3.403 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.431 3.520 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.019 2.397 4.796 1.00 0.00 H new ATOM 295 N ILE A 19 -4.405 -1.431 2.317 1.00 0.00 N ATOM 296 CA ILE A 19 -4.682 -2.821 2.656 1.00 0.00 C ATOM 297 C ILE A 19 -3.333 -3.359 3.158 1.00 0.00 C ATOM 298 O ILE A 19 -2.315 -2.701 2.979 1.00 0.00 O ATOM 299 CB ILE A 19 -5.118 -3.534 1.367 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.956 -4.780 1.603 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.972 -3.788 0.395 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.277 -5.500 0.281 1.00 0.00 C ATOM 0 H ILE A 19 -4.268 -1.259 1.321 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.466 -2.960 3.401 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.781 -2.819 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.422 -5.459 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.884 -4.506 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.353 -4.294 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.523 -2.838 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.220 -4.414 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.877 -6.386 0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.833 -4.829 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.348 -5.796 -0.207 1.00 0.00 H new ATOM 314 N SER A 20 -3.324 -4.549 3.781 1.00 0.00 N ATOM 315 CA SER A 20 -2.000 -5.005 4.223 1.00 0.00 C ATOM 316 C SER A 20 -1.182 -5.428 2.991 1.00 0.00 C ATOM 317 O SER A 20 -1.715 -5.745 1.937 1.00 0.00 O ATOM 318 CB SER A 20 -2.084 -6.223 5.188 1.00 0.00 C ATOM 319 OG SER A 20 -0.854 -6.953 5.605 1.00 0.00 O ATOM 0 H SER A 20 -4.122 -5.154 3.974 1.00 0.00 H new ATOM 0 HA SER A 20 -1.531 -4.178 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.575 -5.877 6.098 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.748 -6.953 4.725 1.00 0.00 H new ATOM 0 HG SER A 20 -1.097 -7.684 6.211 1.00 0.00 H new ATOM 325 N ARG A 21 0.144 -5.423 3.211 1.00 0.00 N ATOM 326 CA ARG A 21 1.112 -5.813 2.189 1.00 0.00 C ATOM 327 C ARG A 21 0.727 -7.181 1.581 1.00 0.00 C ATOM 328 O ARG A 21 0.702 -7.364 0.373 1.00 0.00 O ATOM 329 CB ARG A 21 2.519 -5.833 2.822 1.00 0.00 C ATOM 330 CG ARG A 21 3.651 -5.612 1.814 1.00 0.00 C ATOM 331 CD ARG A 21 5.000 -5.392 2.511 1.00 0.00 C ATOM 332 NE ARG A 21 6.043 -5.138 1.523 1.00 0.00 N ATOM 333 CZ ARG A 21 7.307 -4.805 1.860 1.00 0.00 C ATOM 334 NH1 ARG A 21 7.679 -4.714 3.132 1.00 0.00 N ATOM 335 NH2 ARG A 21 8.198 -4.569 0.908 1.00 0.00 N ATOM 0 H ARG A 21 0.566 -5.149 4.098 1.00 0.00 H new ATOM 0 HA ARG A 21 1.112 -5.093 1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.573 -5.062 3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.670 -6.791 3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.721 -6.474 1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.419 -4.749 1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.929 -4.550 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.258 -6.269 3.105 1.00 0.00 H new ATOM 0 HE ARG A 21 5.807 -5.215 0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.005 -4.897 3.875 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.639 -4.461 3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.927 -4.639 -0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.155 -4.317 1.156 1.00 0.00 H new ATOM 349 N LYS A 22 0.380 -8.092 2.518 1.00 0.00 N ATOM 350 CA LYS A 22 -0.026 -9.450 2.179 1.00 0.00 C ATOM 351 C LYS A 22 -1.369 -9.540 1.451 1.00 0.00 C ATOM 352 O LYS A 22 -1.599 -10.435 0.646 1.00 0.00 O ATOM 353 CB LYS A 22 -0.047 -10.296 3.450 1.00 0.00 C ATOM 354 CG LYS A 22 -1.255 -10.097 4.377 1.00 0.00 C ATOM 355 CD LYS A 22 -2.305 -11.173 4.128 1.00 0.00 C ATOM 356 CE LYS A 22 -3.412 -11.124 5.184 1.00 0.00 C ATOM 357 NZ LYS A 22 -4.577 -11.918 4.817 1.00 0.00 N ATOM 0 H LYS A 22 0.377 -7.896 3.519 1.00 0.00 H new ATOM 0 HA LYS A 22 0.710 -9.833 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.005 -11.347 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.859 -10.084 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.931 -10.131 5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.690 -9.111 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.739 -11.039 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.832 -12.155 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.018 -11.484 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.717 -10.089 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.125 -12.146 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.172 -11.377 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.267 -12.799 4.360 1.00 0.00 H new ATOM 371 N ASP A 23 -2.242 -8.568 1.785 1.00 0.00 N ATOM 372 CA ASP A 23 -3.571 -8.576 1.208 1.00 0.00 C ATOM 373 C ASP A 23 -3.580 -8.039 -0.221 1.00 0.00 C ATOM 374 O ASP A 23 -4.453 -8.343 -1.017 1.00 0.00 O ATOM 375 CB ASP A 23 -4.534 -7.750 2.071 1.00 0.00 C ATOM 376 CG ASP A 23 -5.017 -8.531 3.305 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.428 -9.683 3.153 1.00 0.00 O ATOM 378 OD2 ASP A 23 -4.996 -7.986 4.403 1.00 0.00 O ATOM 0 H ASP A 23 -2.048 -7.801 2.428 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.900 -9.615 1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.038 -6.834 2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.394 -7.452 1.471 1.00 0.00 H new ATOM 383 N ALA A 24 -2.573 -7.220 -0.500 1.00 0.00 N ATOM 384 CA ALA A 24 -2.454 -6.650 -1.832 1.00 0.00 C ATOM 385 C ALA A 24 -1.791 -7.653 -2.791 1.00 0.00 C ATOM 386 O ALA A 24 -2.015 -7.653 -3.997 1.00 0.00 O ATOM 387 CB ALA A 24 -1.685 -5.354 -1.671 1.00 0.00 C ATOM 0 H ALA A 24 -1.846 -6.942 0.160 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.423 -6.436 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.565 -4.879 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.233 -4.686 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.704 -5.564 -1.246 1.00 0.00 H new ATOM 393 N GLU A 25 -0.987 -8.523 -2.146 1.00 0.00 N ATOM 394 CA GLU A 25 -0.280 -9.580 -2.841 1.00 0.00 C ATOM 395 C GLU A 25 -1.264 -10.714 -3.156 1.00 0.00 C ATOM 396 O GLU A 25 -1.153 -11.367 -4.181 1.00 0.00 O ATOM 397 CB GLU A 25 0.862 -10.114 -1.956 1.00 0.00 C ATOM 398 CG GLU A 25 2.060 -9.158 -1.860 1.00 0.00 C ATOM 399 CD GLU A 25 3.092 -9.635 -0.823 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.932 -10.468 -1.165 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.056 -9.158 0.310 1.00 0.00 O ATOM 0 H GLU A 25 -0.821 -8.501 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 25 0.143 -9.191 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.477 -10.303 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.202 -11.071 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.538 -9.075 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.709 -8.162 -1.591 1.00 0.00 H new ATOM 408 N ARG A 26 -2.258 -10.887 -2.251 1.00 0.00 N ATOM 409 CA ARG A 26 -3.236 -11.961 -2.422 1.00 0.00 C ATOM 410 C ARG A 26 -4.028 -11.801 -3.732 1.00 0.00 C ATOM 411 O ARG A 26 -4.350 -12.766 -4.417 1.00 0.00 O ATOM 412 CB ARG A 26 -4.176 -12.015 -1.191 1.00 0.00 C ATOM 413 CG ARG A 26 -5.463 -11.163 -1.257 1.00 0.00 C ATOM 414 CD ARG A 26 -6.053 -10.770 0.109 1.00 0.00 C ATOM 415 NE ARG A 26 -7.508 -10.862 0.109 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.154 -12.044 0.085 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.484 -13.187 0.012 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.478 -12.065 0.137 1.00 0.00 N ATOM 0 H ARG A 26 -2.393 -10.309 -1.422 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.702 -12.909 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.465 -13.054 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.607 -11.703 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.250 -10.254 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.218 -11.715 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.646 -11.421 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.752 -9.752 0.357 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.056 -10.002 0.128 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.465 -13.179 -0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.988 -14.074 -0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.000 -11.191 0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.975 -12.956 0.119 1.00 0.00 H new ATOM 432 N GLN A 27 -4.290 -10.507 -4.024 1.00 0.00 N ATOM 433 CA GLN A 27 -5.074 -10.155 -5.207 1.00 0.00 C ATOM 434 C GLN A 27 -4.277 -10.271 -6.519 1.00 0.00 C ATOM 435 O GLN A 27 -4.790 -10.751 -7.524 1.00 0.00 O ATOM 436 CB GLN A 27 -5.675 -8.742 -5.060 1.00 0.00 C ATOM 437 CG GLN A 27 -6.444 -8.565 -3.739 1.00 0.00 C ATOM 438 CD GLN A 27 -7.360 -7.325 -3.704 1.00 0.00 C ATOM 439 OE1 GLN A 27 -7.421 -6.519 -4.624 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.073 -7.233 -2.568 1.00 0.00 N ATOM 0 H GLN A 27 -3.975 -9.714 -3.466 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.882 -10.884 -5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.876 -8.003 -5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.346 -8.547 -5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.048 -9.455 -3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.727 -8.497 -2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.971 -7.943 -1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.716 -6.453 -2.431 1.00 0.00 H new ATOM 449 N LEU A 28 -3.000 -9.824 -6.454 1.00 0.00 N ATOM 450 CA LEU A 28 -2.182 -9.845 -7.661 1.00 0.00 C ATOM 451 C LEU A 28 -1.617 -11.221 -7.980 1.00 0.00 C ATOM 452 O LEU A 28 -1.328 -11.484 -9.133 1.00 0.00 O ATOM 453 CB LEU A 28 -1.138 -8.736 -7.584 1.00 0.00 C ATOM 454 CG LEU A 28 -1.826 -7.384 -7.541 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.780 -6.340 -7.199 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.462 -7.097 -8.901 1.00 0.00 C ATOM 0 H LEU A 28 -2.543 -9.464 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.819 -9.636 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.519 -8.868 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.474 -8.789 -8.447 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.615 -7.368 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.247 -5.356 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.340 -6.570 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.001 -6.343 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.957 -6.126 -8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.689 -7.088 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.194 -7.871 -9.131 1.00 0.00 H new ATOM 468 N LEU A 29 -1.499 -12.091 -6.956 1.00 0.00 N ATOM 469 CA LEU A 29 -1.012 -13.442 -7.210 1.00 0.00 C ATOM 470 C LEU A 29 -2.153 -14.310 -7.797 1.00 0.00 C ATOM 471 O LEU A 29 -1.935 -15.443 -8.201 1.00 0.00 O ATOM 472 CB LEU A 29 -0.516 -14.043 -5.893 1.00 0.00 C ATOM 473 CG LEU A 29 0.741 -13.350 -5.345 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.869 -13.622 -3.848 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.997 -13.816 -6.089 1.00 0.00 C ATOM 0 H LEU A 29 -1.727 -11.884 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.194 -13.413 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.311 -13.979 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.303 -15.102 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 29 0.643 -12.276 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.762 -13.129 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.010 -13.236 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.947 -14.696 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.871 -13.309 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.113 -14.893 -5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.902 -13.578 -7.148 1.00 0.00 H new ATOM 487 N ALA A 30 -3.372 -13.726 -7.827 1.00 0.00 N ATOM 488 CA ALA A 30 -4.524 -14.436 -8.363 1.00 0.00 C ATOM 489 C ALA A 30 -4.360 -14.651 -9.888 1.00 0.00 C ATOM 490 O ALA A 30 -3.839 -13.798 -10.600 1.00 0.00 O ATOM 491 CB ALA A 30 -5.791 -13.618 -8.099 1.00 0.00 C ATOM 0 H ALA A 30 -3.568 -12.783 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.601 -15.407 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.656 -14.147 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.916 -13.478 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.704 -12.646 -8.584 1.00 0.00 H new ATOM 497 N PRO A 31 -4.843 -15.835 -10.363 1.00 0.00 N ATOM 498 CA PRO A 31 -4.780 -16.195 -11.780 1.00 0.00 C ATOM 499 C PRO A 31 -5.760 -15.399 -12.669 1.00 0.00 C ATOM 500 O PRO A 31 -5.767 -15.529 -13.886 1.00 0.00 O ATOM 501 CB PRO A 31 -5.135 -17.688 -11.800 1.00 0.00 C ATOM 502 CG PRO A 31 -5.973 -17.892 -10.541 1.00 0.00 C ATOM 503 CD PRO A 31 -5.419 -16.892 -9.540 1.00 0.00 C ATOM 0 HA PRO A 31 -3.797 -15.966 -12.191 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.694 -17.952 -12.697 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.240 -18.310 -11.788 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.030 -17.712 -10.736 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.887 -18.913 -10.169 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.203 -16.506 -8.889 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.667 -17.349 -8.897 1.00 0.00 H new ATOM 511 N MET A 32 -6.575 -14.566 -11.987 1.00 0.00 N ATOM 512 CA MET A 32 -7.558 -13.714 -12.618 1.00 0.00 C ATOM 513 C MET A 32 -6.899 -12.604 -13.457 1.00 0.00 C ATOM 514 O MET A 32 -7.451 -12.117 -14.436 1.00 0.00 O ATOM 515 CB MET A 32 -8.349 -13.088 -11.473 1.00 0.00 C ATOM 516 CG MET A 32 -9.412 -14.019 -10.896 1.00 0.00 C ATOM 517 SD MET A 32 -8.715 -15.346 -9.895 1.00 0.00 S ATOM 518 CE MET A 32 -9.240 -14.756 -8.275 1.00 0.00 C ATOM 0 H MET A 32 -6.554 -14.479 -10.971 1.00 0.00 H new ATOM 0 HA MET A 32 -8.184 -14.290 -13.300 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.660 -12.798 -10.680 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.828 -12.176 -11.828 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.105 -13.438 -10.288 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.990 -14.452 -11.712 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.826 -15.402 -7.501 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.884 -13.737 -8.126 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.328 -14.772 -8.217 1.00 0.00 H new ATOM 528 N ASN A 33 -5.690 -12.249 -12.978 1.00 0.00 N ATOM 529 CA ASN A 33 -4.872 -11.207 -13.599 1.00 0.00 C ATOM 530 C ASN A 33 -3.478 -11.747 -13.960 1.00 0.00 C ATOM 531 O ASN A 33 -3.225 -12.945 -13.940 1.00 0.00 O ATOM 532 CB ASN A 33 -4.788 -10.005 -12.644 1.00 0.00 C ATOM 533 CG ASN A 33 -6.173 -9.682 -12.090 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.514 -10.026 -10.968 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.952 -9.029 -12.965 1.00 0.00 N ATOM 0 H ASN A 33 -5.263 -12.677 -12.157 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.334 -10.883 -14.532 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.103 -10.227 -11.826 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.387 -9.139 -13.170 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.909 -8.783 -12.711 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.588 -8.778 -13.884 1.00 0.00 H new ATOM 542 N LYS A 34 -2.594 -10.786 -14.294 1.00 0.00 N ATOM 543 CA LYS A 34 -1.227 -11.124 -14.669 1.00 0.00 C ATOM 544 C LYS A 34 -0.335 -9.881 -14.637 1.00 0.00 C ATOM 545 O LYS A 34 -0.802 -8.751 -14.646 1.00 0.00 O ATOM 546 CB LYS A 34 -1.169 -11.771 -16.062 1.00 0.00 C ATOM 547 CG LYS A 34 -2.049 -11.112 -17.134 1.00 0.00 C ATOM 548 CD LYS A 34 -1.883 -9.592 -17.307 1.00 0.00 C ATOM 549 CE LYS A 34 -2.579 -9.050 -18.562 1.00 0.00 C ATOM 550 NZ LYS A 34 -1.974 -9.514 -19.809 1.00 0.00 N ATOM 0 H LYS A 34 -2.807 -9.789 -14.309 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.859 -11.847 -13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.135 -11.758 -16.407 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.461 -12.817 -15.970 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.840 -11.591 -18.091 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.092 -11.318 -16.895 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.285 -9.086 -16.429 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.821 -9.352 -17.355 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.628 -9.347 -18.543 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.556 -7.960 -18.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.365 -8.973 -20.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.944 -9.375 -19.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.182 -10.524 -19.941 1.00 0.00 H new ATOM 564 N ALA A 35 0.978 -10.198 -14.613 1.00 0.00 N ATOM 565 CA ALA A 35 2.101 -9.276 -14.599 1.00 0.00 C ATOM 566 C ALA A 35 1.757 -7.918 -15.210 1.00 0.00 C ATOM 567 O ALA A 35 1.569 -7.744 -16.408 1.00 0.00 O ATOM 568 CB ALA A 35 3.309 -9.889 -15.316 1.00 0.00 C ATOM 0 H ALA A 35 1.286 -11.170 -14.602 1.00 0.00 H new ATOM 0 HA ALA A 35 2.351 -9.102 -13.552 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.140 -9.184 -15.296 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.602 -10.810 -14.813 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.045 -10.109 -16.350 1.00 0.00 H new ATOM 574 N GLY A 36 1.678 -6.997 -14.247 1.00 0.00 N ATOM 575 CA GLY A 36 1.371 -5.624 -14.529 1.00 0.00 C ATOM 576 C GLY A 36 0.082 -5.149 -13.861 1.00 0.00 C ATOM 577 O GLY A 36 -0.106 -3.958 -13.756 1.00 0.00 O ATOM 0 H GLY A 36 1.827 -7.197 -13.258 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.198 -4.997 -14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.285 -5.491 -15.607 1.00 0.00 H new ATOM 581 N SER A 37 -0.790 -6.086 -13.414 1.00 0.00 N ATOM 582 CA SER A 37 -2.002 -5.799 -12.634 1.00 0.00 C ATOM 583 C SER A 37 -1.502 -5.174 -11.314 1.00 0.00 C ATOM 584 O SER A 37 -0.429 -5.568 -10.863 1.00 0.00 O ATOM 585 CB SER A 37 -2.823 -7.101 -12.442 1.00 0.00 C ATOM 586 OG SER A 37 -2.115 -8.404 -12.388 1.00 0.00 O ATOM 0 H SER A 37 -0.660 -7.082 -13.594 1.00 0.00 H new ATOM 0 HA SER A 37 -2.684 -5.106 -13.127 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.390 -6.997 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.547 -7.155 -13.255 1.00 0.00 H new ATOM 0 HG SER A 37 -1.743 -8.611 -13.271 1.00 0.00 H new ATOM 592 N PHE A 38 -2.289 -4.214 -10.720 1.00 0.00 N ATOM 593 CA PHE A 38 -1.722 -3.541 -9.526 1.00 0.00 C ATOM 594 C PHE A 38 -2.737 -3.571 -8.332 1.00 0.00 C ATOM 595 O PHE A 38 -3.854 -4.063 -8.373 1.00 0.00 O ATOM 596 CB PHE A 38 -1.638 -1.958 -9.645 1.00 0.00 C ATOM 597 CG PHE A 38 -1.488 -1.265 -10.956 1.00 0.00 C ATOM 598 CD1 PHE A 38 -1.096 -1.891 -12.105 1.00 0.00 C ATOM 599 CD2 PHE A 38 -1.938 0.045 -11.033 1.00 0.00 C ATOM 600 CE1 PHE A 38 -1.284 -1.285 -13.335 1.00 0.00 C ATOM 601 CE2 PHE A 38 -2.158 0.651 -12.245 1.00 0.00 C ATOM 602 CZ PHE A 38 -1.824 -0.015 -13.410 1.00 0.00 C ATOM 0 H PHE A 38 -3.219 -3.920 -11.017 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.766 -4.052 -9.411 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.542 -1.561 -9.183 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.798 -1.642 -9.026 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.636 -2.867 -12.053 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.118 0.598 -10.123 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.008 -1.806 -14.240 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.589 1.640 -12.288 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.984 0.453 -14.370 1.00 0.00 H new ATOM 612 N LEU A 39 -2.174 -2.851 -7.329 1.00 0.00 N ATOM 613 CA LEU A 39 -2.511 -2.377 -5.997 1.00 0.00 C ATOM 614 C LEU A 39 -1.649 -1.133 -5.769 1.00 0.00 C ATOM 615 O LEU A 39 -0.563 -1.077 -6.328 1.00 0.00 O ATOM 616 CB LEU A 39 -2.088 -3.379 -4.927 1.00 0.00 C ATOM 617 CG LEU A 39 -3.121 -4.415 -4.520 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.883 -3.742 -3.391 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.089 -4.917 -5.575 1.00 0.00 C ATOM 0 H LEU A 39 -1.228 -2.518 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.586 -2.207 -5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.201 -3.904 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.794 -2.823 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.590 -5.333 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.659 -4.414 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.196 -3.504 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.342 -2.824 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.762 -5.650 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.669 -4.080 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.532 -5.381 -6.389 1.00 0.00 H new ATOM 631 N ILE A 40 -2.123 -0.145 -4.956 1.00 0.00 N ATOM 632 CA ILE A 40 -1.151 0.941 -4.783 1.00 0.00 C ATOM 633 C ILE A 40 -1.482 1.473 -3.349 1.00 0.00 C ATOM 634 O ILE A 40 -1.718 2.643 -3.077 1.00 0.00 O ATOM 635 CB ILE A 40 -1.271 1.885 -6.023 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.059 2.517 -6.415 1.00 0.00 C ATOM 637 CG2 ILE A 40 -2.115 3.125 -5.728 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.103 2.777 -7.940 1.00 0.00 C ATOM 0 H ILE A 40 -3.025 -0.082 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.085 0.712 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.689 1.232 -6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.197 3.454 -5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.880 1.860 -6.128 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.169 3.749 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.120 2.820 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.659 3.691 -4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.059 3.229 -8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.013 1.834 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.706 3.452 -8.217 1.00 0.00 H new ATOM 650 N ARG A 41 -1.450 0.465 -2.442 1.00 0.00 N ATOM 651 CA ARG A 41 -1.797 0.609 -1.031 1.00 0.00 C ATOM 652 C ARG A 41 -0.743 1.446 -0.294 1.00 0.00 C ATOM 653 O ARG A 41 0.446 1.258 -0.487 1.00 0.00 O ATOM 654 CB ARG A 41 -1.938 -0.810 -0.438 1.00 0.00 C ATOM 655 CG ARG A 41 -0.663 -1.485 0.115 1.00 0.00 C ATOM 656 CD ARG A 41 -0.291 -0.977 1.518 1.00 0.00 C ATOM 657 NE ARG A 41 0.518 -1.937 2.254 1.00 0.00 N ATOM 658 CZ ARG A 41 0.694 -1.824 3.589 1.00 0.00 C ATOM 659 NH1 ARG A 41 0.085 -0.885 4.302 1.00 0.00 N ATOM 660 NH2 ARG A 41 1.507 -2.666 4.204 1.00 0.00 N ATOM 0 H ARG A 41 -1.175 -0.485 -2.690 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.740 1.143 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.671 -0.766 0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.352 -1.457 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.813 -2.564 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.167 -1.301 -0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.254 -0.037 1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.201 -0.766 2.079 1.00 0.00 H new ATOM 0 HE ARG A 41 0.960 -2.708 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.538 -0.220 3.844 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.240 -0.828 5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.991 -3.388 3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.650 -2.593 5.211 1.00 0.00 H new ATOM 674 N GLU A 42 -1.239 2.354 0.574 1.00 0.00 N ATOM 675 CA GLU A 42 -0.368 3.253 1.331 1.00 0.00 C ATOM 676 C GLU A 42 0.156 2.626 2.626 1.00 0.00 C ATOM 677 O GLU A 42 -0.258 1.559 3.057 1.00 0.00 O ATOM 678 CB GLU A 42 -1.063 4.624 1.548 1.00 0.00 C ATOM 679 CG GLU A 42 -1.928 4.801 2.808 1.00 0.00 C ATOM 680 CD GLU A 42 -2.478 6.229 2.951 1.00 0.00 C ATOM 681 OE1 GLU A 42 -1.682 7.158 3.064 1.00 0.00 O ATOM 682 OE2 GLU A 42 -3.700 6.391 2.942 1.00 0.00 O ATOM 0 H GLU A 42 -2.234 2.477 0.761 1.00 0.00 H new ATOM 0 HA GLU A 42 0.526 3.433 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.290 5.392 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.692 4.821 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.759 4.097 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.335 4.554 3.689 1.00 0.00 H new ATOM 689 N SER A 43 1.125 3.370 3.192 1.00 0.00 N ATOM 690 CA SER A 43 1.753 3.011 4.456 1.00 0.00 C ATOM 691 C SER A 43 1.066 3.884 5.504 1.00 0.00 C ATOM 692 O SER A 43 1.701 4.797 5.984 1.00 0.00 O ATOM 693 CB SER A 43 3.246 3.484 4.422 1.00 0.00 C ATOM 694 OG SER A 43 4.080 3.448 5.656 1.00 0.00 O ATOM 0 H SER A 43 1.486 4.231 2.780 1.00 0.00 H new ATOM 0 HA SER A 43 1.684 1.941 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.757 2.882 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.249 4.513 4.062 1.00 0.00 H new ATOM 0 HG SER A 43 3.503 3.530 6.444 1.00 0.00 H new ATOM 700 N GLU A 44 -0.203 3.576 5.853 1.00 0.00 N ATOM 701 CA GLU A 44 -1.095 4.318 6.767 1.00 0.00 C ATOM 702 C GLU A 44 -0.413 5.308 7.768 1.00 0.00 C ATOM 703 O GLU A 44 -0.890 6.412 7.996 1.00 0.00 O ATOM 704 CB GLU A 44 -2.007 3.323 7.500 1.00 0.00 C ATOM 705 CG GLU A 44 -1.296 2.080 8.075 1.00 0.00 C ATOM 706 CD GLU A 44 -2.316 1.016 8.540 1.00 0.00 C ATOM 707 OE1 GLU A 44 -3.233 0.693 7.781 1.00 0.00 O ATOM 708 OE2 GLU A 44 -2.182 0.520 9.658 1.00 0.00 O ATOM 0 H GLU A 44 -0.661 2.746 5.477 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.670 4.985 6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.507 3.846 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.784 2.991 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.639 1.651 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.666 2.374 8.914 1.00 0.00 H new ATOM 715 N SER A 45 0.707 4.834 8.327 1.00 0.00 N ATOM 716 CA SER A 45 1.635 5.451 9.268 1.00 0.00 C ATOM 717 C SER A 45 2.614 6.439 8.570 1.00 0.00 C ATOM 718 O SER A 45 3.684 6.734 9.089 1.00 0.00 O ATOM 719 CB SER A 45 2.485 4.205 9.658 1.00 0.00 C ATOM 720 OG SER A 45 2.888 3.292 8.548 1.00 0.00 O ATOM 0 H SER A 45 1.017 3.890 8.097 1.00 0.00 H new ATOM 0 HA SER A 45 1.129 6.003 10.060 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.389 4.553 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.922 3.624 10.388 1.00 0.00 H new ATOM 0 HG SER A 45 3.416 2.550 8.910 1.00 0.00 H new ATOM 726 N ASN A 46 2.203 6.930 7.387 1.00 0.00 N ATOM 727 CA ASN A 46 3.024 7.792 6.540 1.00 0.00 C ATOM 728 C ASN A 46 2.593 9.266 6.469 1.00 0.00 C ATOM 729 O ASN A 46 1.697 9.766 7.136 1.00 0.00 O ATOM 730 CB ASN A 46 2.876 7.221 5.109 1.00 0.00 C ATOM 731 CG ASN A 46 1.401 7.229 4.626 1.00 0.00 C ATOM 732 OD1 ASN A 46 0.553 7.960 5.117 1.00 0.00 O ATOM 733 ND2 ASN A 46 1.153 6.382 3.634 1.00 0.00 N ATOM 0 H ASN A 46 1.282 6.734 6.995 1.00 0.00 H new ATOM 0 HA ASN A 46 4.030 7.792 6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.485 7.807 4.421 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.259 6.201 5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.214 6.317 3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.902 5.796 3.264 1.00 0.00 H new ATOM 740 N LYS A 47 3.369 9.872 5.541 1.00 0.00 N ATOM 741 CA LYS A 47 3.282 11.232 5.050 1.00 0.00 C ATOM 742 C LYS A 47 2.572 11.304 3.691 1.00 0.00 C ATOM 743 O LYS A 47 2.798 12.217 2.909 1.00 0.00 O ATOM 744 CB LYS A 47 4.655 11.904 5.021 1.00 0.00 C ATOM 745 CG LYS A 47 5.709 10.965 4.441 1.00 0.00 C ATOM 746 CD LYS A 47 6.513 10.267 5.542 1.00 0.00 C ATOM 747 CE LYS A 47 7.660 11.135 6.073 1.00 0.00 C ATOM 748 NZ LYS A 47 8.408 10.482 7.146 1.00 0.00 N ATOM 0 H LYS A 47 4.130 9.364 5.090 1.00 0.00 H new ATOM 0 HA LYS A 47 2.666 11.794 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.606 12.815 4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.941 12.199 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.224 10.217 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.385 11.529 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.847 10.008 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.919 9.333 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.339 11.374 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.257 12.080 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.171 11.110 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.768 10.277 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.817 9.593 6.793 1.00 0.00 H new ATOM 762 N GLY A 48 1.714 10.289 3.481 1.00 0.00 N ATOM 763 CA GLY A 48 0.982 10.114 2.237 1.00 0.00 C ATOM 764 C GLY A 48 1.780 9.206 1.284 1.00 0.00 C ATOM 765 O GLY A 48 1.667 9.281 0.069 1.00 0.00 O ATOM 0 H GLY A 48 1.516 9.571 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.005 9.675 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.806 11.082 1.769 1.00 0.00 H new ATOM 769 N ALA A 49 2.570 8.314 1.930 1.00 0.00 N ATOM 770 CA ALA A 49 3.413 7.381 1.157 1.00 0.00 C ATOM 771 C ALA A 49 2.613 6.178 0.614 1.00 0.00 C ATOM 772 O ALA A 49 2.282 5.258 1.347 1.00 0.00 O ATOM 773 CB ALA A 49 4.508 6.774 2.061 1.00 0.00 C ATOM 0 H ALA A 49 2.639 8.224 2.944 1.00 0.00 H new ATOM 0 HA ALA A 49 3.826 7.967 0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.122 6.088 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.134 7.572 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.042 6.233 2.884 1.00 0.00 H new ATOM 779 N PHE A 50 2.356 6.214 -0.711 1.00 0.00 N ATOM 780 CA PHE A 50 1.598 5.122 -1.333 1.00 0.00 C ATOM 781 C PHE A 50 2.571 3.937 -1.562 1.00 0.00 C ATOM 782 O PHE A 50 3.767 4.087 -1.345 1.00 0.00 O ATOM 783 CB PHE A 50 0.839 5.620 -2.590 1.00 0.00 C ATOM 784 CG PHE A 50 -0.437 6.372 -2.244 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.540 7.217 -1.135 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.568 6.212 -3.037 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.723 7.869 -0.826 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.759 6.856 -2.729 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.840 7.688 -1.623 1.00 0.00 C ATOM 0 H PHE A 50 2.651 6.958 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 50 0.803 4.756 -0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.493 6.270 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.593 4.767 -3.223 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.324 7.365 -0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.519 5.575 -3.908 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.773 8.518 0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.627 6.708 -3.354 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.766 8.190 -1.386 1.00 0.00 H new ATOM 799 N SER A 51 2.044 2.763 -1.991 1.00 0.00 N ATOM 800 CA SER A 51 2.939 1.617 -2.215 1.00 0.00 C ATOM 801 C SER A 51 2.280 0.563 -3.144 1.00 0.00 C ATOM 802 O SER A 51 1.327 -0.126 -2.803 1.00 0.00 O ATOM 803 CB SER A 51 3.399 0.996 -0.855 1.00 0.00 C ATOM 804 OG SER A 51 3.831 1.871 0.266 1.00 0.00 O ATOM 0 H SER A 51 1.056 2.594 -2.179 1.00 0.00 H new ATOM 0 HA SER A 51 3.832 1.976 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.576 0.384 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.226 0.321 -1.073 1.00 0.00 H new ATOM 0 HG SER A 51 4.038 2.765 -0.078 1.00 0.00 H new ATOM 810 N LEU A 52 2.903 0.491 -4.332 1.00 0.00 N ATOM 811 CA LEU A 52 2.516 -0.357 -5.452 1.00 0.00 C ATOM 812 C LEU A 52 3.024 -1.795 -5.313 1.00 0.00 C ATOM 813 O LEU A 52 4.144 -2.069 -4.911 1.00 0.00 O ATOM 814 CB LEU A 52 3.159 0.372 -6.664 1.00 0.00 C ATOM 815 CG LEU A 52 2.987 -0.166 -8.093 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.515 -0.355 -8.422 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.640 0.807 -9.102 1.00 0.00 C ATOM 0 H LEU A 52 3.729 1.053 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 52 1.436 -0.477 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.780 1.394 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.230 0.429 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 52 3.479 -1.136 -8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.415 -0.737 -9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.074 -1.066 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.998 0.601 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.515 0.420 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.163 1.784 -9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.703 0.903 -8.879 1.00 0.00 H new ATOM 829 N SER A 53 2.076 -2.677 -5.686 1.00 0.00 N ATOM 830 CA SER A 53 2.252 -4.119 -5.723 1.00 0.00 C ATOM 831 C SER A 53 1.866 -4.501 -7.150 1.00 0.00 C ATOM 832 O SER A 53 0.865 -4.019 -7.656 1.00 0.00 O ATOM 833 CB SER A 53 1.388 -4.822 -4.630 1.00 0.00 C ATOM 834 OG SER A 53 1.185 -4.170 -3.312 1.00 0.00 O ATOM 0 H SER A 53 1.143 -2.384 -5.976 1.00 0.00 H new ATOM 0 HA SER A 53 3.269 -4.439 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.402 -4.998 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.834 -5.799 -4.443 1.00 0.00 H new ATOM 0 HG SER A 53 0.760 -4.803 -2.696 1.00 0.00 H new ATOM 840 N VAL A 54 2.720 -5.331 -7.778 1.00 0.00 N ATOM 841 CA VAL A 54 2.488 -5.768 -9.164 1.00 0.00 C ATOM 842 C VAL A 54 2.801 -7.269 -9.198 1.00 0.00 C ATOM 843 O VAL A 54 3.675 -7.672 -8.453 1.00 0.00 O ATOM 844 CB VAL A 54 3.447 -4.997 -10.096 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.286 -5.419 -11.559 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.254 -3.477 -9.988 1.00 0.00 C ATOM 0 H VAL A 54 3.567 -5.708 -7.352 1.00 0.00 H new ATOM 0 HA VAL A 54 1.466 -5.578 -9.492 1.00 0.00 H new ATOM 0 HB VAL A 54 4.454 -5.250 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.980 -4.852 -12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.499 -6.483 -11.656 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.264 -5.223 -11.884 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.949 -2.973 -10.660 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.231 -3.220 -10.263 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.445 -3.158 -8.963 1.00 0.00 H new ATOM 856 N LYS A 55 2.132 -8.086 -10.061 1.00 0.00 N ATOM 857 CA LYS A 55 2.478 -9.523 -10.016 1.00 0.00 C ATOM 858 C LYS A 55 3.786 -9.829 -10.788 1.00 0.00 C ATOM 859 O LYS A 55 3.748 -9.919 -12.005 1.00 0.00 O ATOM 860 CB LYS A 55 1.355 -10.357 -10.664 1.00 0.00 C ATOM 861 CG LYS A 55 1.521 -11.885 -10.522 1.00 0.00 C ATOM 862 CD LYS A 55 0.782 -12.686 -11.610 1.00 0.00 C ATOM 863 CE LYS A 55 -0.688 -13.003 -11.307 1.00 0.00 C ATOM 864 NZ LYS A 55 -1.276 -13.997 -12.198 1.00 0.00 N ATOM 0 H LYS A 55 1.418 -7.805 -10.733 1.00 0.00 H new ATOM 0 HA LYS A 55 2.609 -9.781 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.403 -10.066 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.302 -10.108 -11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.582 -12.132 -10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.154 -12.193 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.831 -12.128 -12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.313 -13.624 -11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.768 -13.358 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.268 -12.083 -11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.735 -14.741 -11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.983 -13.540 -12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.530 -14.420 -12.787 1.00 0.00 H new ATOM 878 N ASP A 56 4.936 -10.018 -10.084 1.00 0.00 N ATOM 879 CA ASP A 56 6.114 -10.340 -10.899 1.00 0.00 C ATOM 880 C ASP A 56 6.077 -11.837 -11.278 1.00 0.00 C ATOM 881 O ASP A 56 5.825 -12.711 -10.463 1.00 0.00 O ATOM 882 CB ASP A 56 7.412 -9.849 -10.245 1.00 0.00 C ATOM 883 CG ASP A 56 8.666 -10.302 -11.019 1.00 0.00 C ATOM 884 OD1 ASP A 56 8.929 -9.756 -12.091 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.360 -11.200 -10.542 1.00 0.00 O ATOM 0 H ASP A 56 5.061 -9.960 -9.073 1.00 0.00 H new ATOM 0 HA ASP A 56 6.089 -9.791 -11.840 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.397 -8.761 -10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.465 -10.222 -9.222 1.00 0.00 H new ATOM 890 N ILE A 57 6.283 -12.050 -12.594 1.00 0.00 N ATOM 891 CA ILE A 57 6.297 -13.395 -13.160 1.00 0.00 C ATOM 892 C ILE A 57 7.682 -13.648 -13.777 1.00 0.00 C ATOM 893 O ILE A 57 7.970 -13.307 -14.918 1.00 0.00 O ATOM 894 CB ILE A 57 5.154 -13.590 -14.173 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.779 -13.306 -13.524 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.195 -15.017 -14.758 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.614 -13.755 -14.400 1.00 0.00 C ATOM 0 H ILE A 57 6.440 -11.306 -13.273 1.00 0.00 H new ATOM 0 HA ILE A 57 6.123 -14.132 -12.376 1.00 0.00 H new ATOM 0 HB ILE A 57 5.293 -12.876 -14.984 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.723 -13.815 -12.562 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.689 -12.238 -13.325 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.381 -15.141 -15.473 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.148 -15.176 -15.262 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.085 -15.744 -13.953 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.673 -13.532 -13.897 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.650 -13.226 -15.353 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.685 -14.828 -14.578 1.00 0.00 H new ATOM 909 N THR A 58 8.494 -14.275 -12.909 1.00 0.00 N ATOM 910 CA THR A 58 9.874 -14.653 -13.186 1.00 0.00 C ATOM 911 C THR A 58 9.956 -16.171 -13.389 1.00 0.00 C ATOM 912 O THR A 58 9.000 -16.890 -13.123 1.00 0.00 O ATOM 913 CB THR A 58 10.752 -14.245 -11.966 1.00 0.00 C ATOM 914 OG1 THR A 58 12.176 -14.570 -12.042 1.00 0.00 O ATOM 915 CG2 THR A 58 10.071 -14.626 -10.611 1.00 0.00 C ATOM 0 H THR A 58 8.191 -14.537 -11.971 1.00 0.00 H new ATOM 0 HA THR A 58 10.227 -14.151 -14.087 1.00 0.00 H new ATOM 0 HB THR A 58 10.790 -13.157 -12.013 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.625 -14.267 -11.225 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.714 -14.325 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.112 -14.115 -10.530 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.912 -15.704 -10.574 1.00 0.00 H new ATOM 923 N THR A 59 11.147 -16.634 -13.851 1.00 0.00 N ATOM 924 CA THR A 59 11.305 -18.078 -14.057 1.00 0.00 C ATOM 925 C THR A 59 11.415 -18.850 -12.721 1.00 0.00 C ATOM 926 O THR A 59 11.456 -20.075 -12.719 1.00 0.00 O ATOM 927 CB THR A 59 12.471 -18.479 -15.021 1.00 0.00 C ATOM 928 OG1 THR A 59 12.700 -19.916 -15.217 1.00 0.00 O ATOM 929 CG2 THR A 59 13.784 -17.690 -14.746 1.00 0.00 C ATOM 0 H THR A 59 11.961 -16.060 -14.073 1.00 0.00 H new ATOM 0 HA THR A 59 10.385 -18.375 -14.561 1.00 0.00 H new ATOM 0 HB THR A 59 12.095 -18.161 -15.994 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.260 -20.418 -14.500 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.555 -18.012 -15.446 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.601 -16.623 -14.873 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.117 -17.882 -13.726 1.00 0.00 H new ATOM 937 N GLN A 60 11.456 -18.093 -11.598 1.00 0.00 N ATOM 938 CA GLN A 60 11.528 -18.731 -10.280 1.00 0.00 C ATOM 939 C GLN A 60 10.126 -19.207 -9.821 1.00 0.00 C ATOM 940 O GLN A 60 9.982 -20.196 -9.113 1.00 0.00 O ATOM 941 CB GLN A 60 12.093 -17.752 -9.244 1.00 0.00 C ATOM 942 CG GLN A 60 13.623 -17.576 -9.333 1.00 0.00 C ATOM 943 CD GLN A 60 14.104 -16.244 -8.727 1.00 0.00 C ATOM 944 OE1 GLN A 60 15.010 -15.598 -9.237 1.00 0.00 O ATOM 945 NE2 GLN A 60 13.451 -15.880 -7.611 1.00 0.00 N ATOM 0 H GLN A 60 11.441 -17.073 -11.585 1.00 0.00 H new ATOM 0 HA GLN A 60 12.187 -19.595 -10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.615 -16.781 -9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.833 -18.103 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.110 -18.403 -8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.930 -17.627 -10.377 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.704 -16.469 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.702 -15.015 -7.133 1.00 0.00 H new ATOM 954 N GLY A 61 9.119 -18.428 -10.271 1.00 0.00 N ATOM 955 CA GLY A 61 7.723 -18.687 -9.950 1.00 0.00 C ATOM 956 C GLY A 61 6.972 -17.366 -9.770 1.00 0.00 C ATOM 957 O GLY A 61 7.560 -16.292 -9.792 1.00 0.00 O ATOM 0 H GLY A 61 9.263 -17.610 -10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.261 -19.272 -10.746 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.655 -19.280 -9.038 1.00 0.00 H new ATOM 961 N GLU A 62 5.642 -17.513 -9.584 1.00 0.00 N ATOM 962 CA GLU A 62 4.768 -16.371 -9.400 1.00 0.00 C ATOM 963 C GLU A 62 5.042 -15.697 -8.049 1.00 0.00 C ATOM 964 O GLU A 62 5.226 -16.335 -7.018 1.00 0.00 O ATOM 965 CB GLU A 62 3.313 -16.838 -9.488 1.00 0.00 C ATOM 966 CG GLU A 62 2.418 -15.715 -10.002 1.00 0.00 C ATOM 967 CD GLU A 62 0.974 -16.198 -10.174 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.391 -16.687 -9.209 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.449 -16.087 -11.279 1.00 0.00 O ATOM 0 H GLU A 62 5.167 -18.415 -9.560 1.00 0.00 H new ATOM 0 HA GLU A 62 4.958 -15.636 -10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.242 -17.700 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.970 -17.163 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.444 -14.877 -9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.799 -15.349 -10.956 1.00 0.00 H new ATOM 976 N VAL A 63 5.052 -14.359 -8.159 1.00 0.00 N ATOM 977 CA VAL A 63 5.323 -13.488 -7.036 1.00 0.00 C ATOM 978 C VAL A 63 4.655 -12.137 -7.368 1.00 0.00 C ATOM 979 O VAL A 63 4.017 -11.984 -8.402 1.00 0.00 O ATOM 980 CB VAL A 63 6.866 -13.437 -6.896 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.568 -13.005 -8.194 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.355 -12.622 -5.690 1.00 0.00 C ATOM 0 H VAL A 63 4.871 -13.865 -9.033 1.00 0.00 H new ATOM 0 HA VAL A 63 4.923 -13.814 -6.076 1.00 0.00 H new ATOM 0 HB VAL A 63 7.158 -14.468 -6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.646 -12.987 -8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.329 -13.711 -8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.227 -12.010 -8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.445 -12.634 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.006 -11.593 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.963 -13.059 -4.772 1.00 0.00 H new ATOM 992 N VAL A 64 4.805 -11.198 -6.420 1.00 0.00 N ATOM 993 CA VAL A 64 4.310 -9.830 -6.544 1.00 0.00 C ATOM 994 C VAL A 64 5.579 -8.949 -6.511 1.00 0.00 C ATOM 995 O VAL A 64 6.656 -9.472 -6.748 1.00 0.00 O ATOM 996 CB VAL A 64 3.102 -9.620 -5.591 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.786 -8.186 -5.188 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.824 -10.070 -6.294 1.00 0.00 C ATOM 0 H VAL A 64 5.281 -11.377 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 64 3.818 -9.532 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 64 3.395 -10.181 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.923 -8.177 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.645 -7.755 -4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.564 -7.598 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.973 -9.925 -5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.681 -9.482 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.905 -11.125 -6.555 1.00 0.00 H new ATOM 1008 N LYS A 65 5.444 -7.636 -6.285 1.00 0.00 N ATOM 1009 CA LYS A 65 6.569 -6.706 -6.197 1.00 0.00 C ATOM 1010 C LYS A 65 6.153 -5.593 -5.233 1.00 0.00 C ATOM 1011 O LYS A 65 4.997 -5.522 -4.849 1.00 0.00 O ATOM 1012 CB LYS A 65 6.927 -6.131 -7.580 1.00 0.00 C ATOM 1013 CG LYS A 65 7.918 -7.005 -8.360 1.00 0.00 C ATOM 1014 CD LYS A 65 9.369 -6.900 -7.871 1.00 0.00 C ATOM 1015 CE LYS A 65 10.036 -5.550 -8.165 1.00 0.00 C ATOM 1016 NZ LYS A 65 10.196 -5.291 -9.589 1.00 0.00 N ATOM 0 H LYS A 65 4.537 -7.187 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 65 7.460 -7.218 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.015 -6.016 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.352 -5.135 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.598 -8.045 -8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.880 -6.726 -9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.392 -7.077 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.956 -7.692 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.440 -4.753 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.014 -5.522 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.177 -5.004 -9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.976 -6.154 -10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.550 -4.529 -9.878 1.00 0.00 H new ATOM 1030 N HIS A 66 7.141 -4.747 -4.858 1.00 0.00 N ATOM 1031 CA HIS A 66 6.870 -3.646 -3.938 1.00 0.00 C ATOM 1032 C HIS A 66 7.697 -2.404 -4.324 1.00 0.00 C ATOM 1033 O HIS A 66 8.906 -2.468 -4.512 1.00 0.00 O ATOM 1034 CB HIS A 66 7.231 -4.073 -2.508 1.00 0.00 C ATOM 1035 CG HIS A 66 6.248 -5.111 -2.022 1.00 0.00 C ATOM 1036 ND1 HIS A 66 6.547 -6.413 -1.842 1.00 0.00 N ATOM 1037 CD2 HIS A 66 4.894 -4.917 -1.703 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.410 -6.997 -1.429 1.00 0.00 C ATOM 1039 NE2 HIS A 66 4.397 -6.118 -1.335 1.00 0.00 N ATOM 0 H HIS A 66 8.108 -4.812 -5.176 1.00 0.00 H new ATOM 0 HA HIS A 66 5.811 -3.396 -3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.243 -4.477 -2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.218 -3.207 -1.846 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.352 -3.984 -1.744 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.320 -8.049 -1.200 1.00 0.00 H new ATOM 0 HE2 HIS A 66 3.441 -6.319 -1.043 1.00 0.00 H new ATOM 1047 N TYR A 67 6.954 -1.282 -4.426 1.00 0.00 N ATOM 1048 CA TYR A 67 7.522 0.024 -4.757 1.00 0.00 C ATOM 1049 C TYR A 67 6.931 1.012 -3.744 1.00 0.00 C ATOM 1050 O TYR A 67 5.782 0.903 -3.339 1.00 0.00 O ATOM 1051 CB TYR A 67 7.250 0.450 -6.211 1.00 0.00 C ATOM 1052 CG TYR A 67 7.379 -0.698 -7.169 1.00 0.00 C ATOM 1053 CD1 TYR A 67 6.303 -1.548 -7.376 1.00 0.00 C ATOM 1054 CD2 TYR A 67 8.569 -0.943 -7.839 1.00 0.00 C ATOM 1055 CE1 TYR A 67 6.398 -2.643 -8.213 1.00 0.00 C ATOM 1056 CE2 TYR A 67 8.684 -2.038 -8.689 1.00 0.00 C ATOM 1057 CZ TYR A 67 7.593 -2.893 -8.894 1.00 0.00 C ATOM 1058 OH TYR A 67 7.709 -3.991 -9.740 1.00 0.00 O ATOM 0 H TYR A 67 5.945 -1.265 -4.280 1.00 0.00 H new ATOM 0 HA TYR A 67 8.610 -0.008 -4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.247 0.871 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.948 1.238 -6.494 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.369 -1.349 -6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.410 -0.280 -7.700 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.553 -3.303 -8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.619 -2.230 -9.194 1.00 0.00 H new ATOM 0 HH TYR A 67 7.439 -3.735 -10.647 1.00 0.00 H new ATOM 1068 N LYS A 68 7.801 1.957 -3.368 1.00 0.00 N ATOM 1069 CA LYS A 68 7.500 2.965 -2.369 1.00 0.00 C ATOM 1070 C LYS A 68 7.287 4.358 -2.966 1.00 0.00 C ATOM 1071 O LYS A 68 8.151 5.225 -2.937 1.00 0.00 O ATOM 1072 CB LYS A 68 8.561 2.925 -1.263 1.00 0.00 C ATOM 1073 CG LYS A 68 9.984 3.160 -1.751 1.00 0.00 C ATOM 1074 CD LYS A 68 10.603 1.950 -2.468 1.00 0.00 C ATOM 1075 CE LYS A 68 10.981 2.249 -3.923 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.155 3.106 -4.052 1.00 0.00 N ATOM 0 H LYS A 68 8.740 2.036 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 68 6.538 2.725 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.317 3.679 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.515 1.956 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.989 4.014 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.611 3.425 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.492 1.628 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.897 1.120 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.167 1.309 -4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.136 2.726 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.129 3.595 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.158 3.808 -3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.016 2.526 -3.994 1.00 0.00 H new ATOM 1090 N ILE A 69 6.061 4.515 -3.501 1.00 0.00 N ATOM 1091 CA ILE A 69 5.695 5.830 -4.037 1.00 0.00 C ATOM 1092 C ILE A 69 5.552 6.840 -2.877 1.00 0.00 C ATOM 1093 O ILE A 69 4.536 6.943 -2.207 1.00 0.00 O ATOM 1094 CB ILE A 69 4.463 5.884 -4.970 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.368 4.843 -4.726 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.775 6.125 -6.429 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.371 3.590 -5.600 1.00 0.00 C ATOM 0 H ILE A 69 5.346 3.790 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 69 6.519 6.098 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 69 3.986 6.805 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.433 4.526 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.404 5.336 -4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.847 6.146 -7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.290 7.079 -6.538 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.413 5.324 -6.802 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.540 2.945 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.265 3.876 -6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.310 3.054 -5.464 1.00 0.00 H new ATOM 1109 N ARG A 70 6.663 7.576 -2.726 1.00 0.00 N ATOM 1110 CA ARG A 70 6.799 8.607 -1.721 1.00 0.00 C ATOM 1111 C ARG A 70 6.158 9.874 -2.238 1.00 0.00 C ATOM 1112 O ARG A 70 6.479 10.329 -3.320 1.00 0.00 O ATOM 1113 CB ARG A 70 8.271 8.883 -1.532 1.00 0.00 C ATOM 1114 CG ARG A 70 8.968 7.696 -0.882 1.00 0.00 C ATOM 1115 CD ARG A 70 10.046 8.224 0.046 1.00 0.00 C ATOM 1116 NE ARG A 70 11.044 7.224 0.427 1.00 0.00 N ATOM 1117 CZ ARG A 70 10.779 6.135 1.184 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.552 5.864 1.608 1.00 0.00 N ATOM 1119 NH2 ARG A 70 11.769 5.319 1.522 1.00 0.00 N ATOM 0 H ARG A 70 7.492 7.461 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 70 6.332 8.292 -0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.732 9.097 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.402 9.770 -0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.251 7.093 -0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.406 7.050 -1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.551 9.060 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.575 8.615 0.948 1.00 0.00 H new ATOM 0 HE ARG A 70 12.001 7.357 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.780 6.484 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.381 5.035 2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.720 5.515 1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.579 4.495 2.093 1.00 0.00 H new ATOM 1133 N SER A 71 5.255 10.394 -1.403 1.00 0.00 N ATOM 1134 CA SER A 71 4.552 11.623 -1.733 1.00 0.00 C ATOM 1135 C SER A 71 5.379 12.783 -1.184 1.00 0.00 C ATOM 1136 O SER A 71 5.692 12.844 0.000 1.00 0.00 O ATOM 1137 CB SER A 71 3.198 11.646 -0.998 1.00 0.00 C ATOM 1138 OG SER A 71 3.208 11.531 0.476 1.00 0.00 O ATOM 0 H SER A 71 5.000 9.984 -0.505 1.00 0.00 H new ATOM 0 HA SER A 71 4.404 11.695 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.693 12.576 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.590 10.832 -1.393 1.00 0.00 H new ATOM 0 HG SER A 71 2.807 12.334 0.869 1.00 0.00 H new ATOM 1144 N LEU A 72 5.706 13.683 -2.125 1.00 0.00 N ATOM 1145 CA LEU A 72 6.528 14.844 -1.842 1.00 0.00 C ATOM 1146 C LEU A 72 5.726 16.135 -1.881 1.00 0.00 C ATOM 1147 O LEU A 72 4.682 16.278 -2.506 1.00 0.00 O ATOM 1148 CB LEU A 72 7.668 14.954 -2.867 1.00 0.00 C ATOM 1149 CG LEU A 72 8.232 13.622 -3.323 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.557 12.695 -2.135 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.410 13.031 -4.485 1.00 0.00 C ATOM 0 H LEU A 72 5.403 13.616 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 72 6.927 14.708 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.305 15.498 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.474 15.547 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 72 9.214 13.773 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.958 11.753 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.295 13.174 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.648 12.502 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.841 12.077 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.381 12.878 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.426 13.720 -5.329 1.00 0.00 H new ATOM 1163 N ASP A 73 6.397 17.061 -1.178 1.00 0.00 N ATOM 1164 CA ASP A 73 5.985 18.442 -0.995 1.00 0.00 C ATOM 1165 C ASP A 73 5.968 19.240 -2.316 1.00 0.00 C ATOM 1166 O ASP A 73 5.298 20.257 -2.434 1.00 0.00 O ATOM 1167 CB ASP A 73 6.947 19.103 0.010 1.00 0.00 C ATOM 1168 CG ASP A 73 8.435 19.159 -0.429 1.00 0.00 C ATOM 1169 OD1 ASP A 73 8.941 18.186 -0.992 1.00 0.00 O ATOM 1170 OD2 ASP A 73 9.075 20.182 -0.191 1.00 0.00 O ATOM 0 H ASP A 73 7.276 16.849 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 73 4.962 18.447 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.604 20.120 0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.885 18.563 0.955 1.00 0.00 H new ATOM 1175 N ASN A 74 6.739 18.711 -3.295 1.00 0.00 N ATOM 1176 CA ASN A 74 6.837 19.355 -4.605 1.00 0.00 C ATOM 1177 C ASN A 74 5.563 19.173 -5.446 1.00 0.00 C ATOM 1178 O ASN A 74 5.279 19.928 -6.368 1.00 0.00 O ATOM 1179 CB ASN A 74 8.109 18.906 -5.348 1.00 0.00 C ATOM 1180 CG ASN A 74 8.154 17.391 -5.618 1.00 0.00 C ATOM 1181 OD1 ASN A 74 7.246 16.806 -6.192 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.268 16.796 -5.166 1.00 0.00 N ATOM 0 H ASN A 74 7.288 17.857 -3.197 1.00 0.00 H new ATOM 0 HA ASN A 74 6.925 20.428 -4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.175 19.439 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.983 19.190 -4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.398 15.792 -5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.986 17.347 -4.695 1.00 0.00 H new ATOM 1189 N GLY A 75 4.831 18.126 -5.039 1.00 0.00 N ATOM 1190 CA GLY A 75 3.583 17.767 -5.681 1.00 0.00 C ATOM 1191 C GLY A 75 3.836 16.675 -6.707 1.00 0.00 C ATOM 1192 O GLY A 75 3.847 16.902 -7.910 1.00 0.00 O ATOM 0 H GLY A 75 5.093 17.518 -4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.865 17.422 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.146 18.641 -6.165 1.00 0.00 H new ATOM 1196 N GLY A 76 4.056 15.482 -6.118 1.00 0.00 N ATOM 1197 CA GLY A 76 4.309 14.285 -6.878 1.00 0.00 C ATOM 1198 C GLY A 76 4.490 13.055 -5.996 1.00 0.00 C ATOM 1199 O GLY A 76 4.251 13.050 -4.795 1.00 0.00 O ATOM 0 H GLY A 76 4.059 15.343 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.481 14.115 -7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.204 14.427 -7.484 1.00 0.00 H new ATOM 1203 N TYR A 77 4.928 12.026 -6.736 1.00 0.00 N ATOM 1204 CA TYR A 77 5.209 10.684 -6.263 1.00 0.00 C ATOM 1205 C TYR A 77 6.452 10.208 -6.978 1.00 0.00 C ATOM 1206 O TYR A 77 6.544 10.286 -8.195 1.00 0.00 O ATOM 1207 CB TYR A 77 4.115 9.659 -6.619 1.00 0.00 C ATOM 1208 CG TYR A 77 2.917 9.755 -5.736 1.00 0.00 C ATOM 1209 CD1 TYR A 77 2.976 9.281 -4.440 1.00 0.00 C ATOM 1210 CD2 TYR A 77 1.734 10.273 -6.216 1.00 0.00 C ATOM 1211 CE1 TYR A 77 1.856 9.301 -3.625 1.00 0.00 C ATOM 1212 CE2 TYR A 77 0.586 10.289 -5.436 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.639 9.791 -4.125 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.506 9.791 -3.337 1.00 0.00 O ATOM 0 H TYR A 77 5.102 12.125 -7.736 1.00 0.00 H new ATOM 0 HA TYR A 77 5.294 10.742 -5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.809 9.807 -7.655 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.531 8.654 -6.550 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.907 8.890 -4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.699 10.674 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.919 8.941 -2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.339 10.681 -5.834 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.483 9.025 -2.726 1.00 0.00 H new ATOM 1224 N TYR A 78 7.378 9.683 -6.149 1.00 0.00 N ATOM 1225 CA TYR A 78 8.631 9.173 -6.697 1.00 0.00 C ATOM 1226 C TYR A 78 8.880 7.737 -6.206 1.00 0.00 C ATOM 1227 O TYR A 78 8.644 7.402 -5.053 1.00 0.00 O ATOM 1228 CB TYR A 78 9.818 10.116 -6.390 1.00 0.00 C ATOM 1229 CG TYR A 78 10.590 9.871 -5.117 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.568 8.887 -5.071 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.375 10.641 -3.983 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.329 8.668 -3.936 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.139 10.445 -2.839 1.00 0.00 C ATOM 1234 CZ TYR A 78 12.138 9.465 -2.807 1.00 0.00 C ATOM 1235 OH TYR A 78 12.921 9.278 -1.673 1.00 0.00 O ATOM 0 H TYR A 78 7.280 9.606 -5.137 1.00 0.00 H new ATOM 0 HA TYR A 78 8.545 9.142 -7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.517 10.059 -7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.438 11.137 -6.362 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.740 8.276 -5.945 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.607 11.400 -3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.069 7.882 -3.924 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.960 11.055 -1.966 1.00 0.00 H new ATOM 0 HH TYR A 78 12.654 9.919 -0.982 1.00 0.00 H new ATOM 1245 N ILE A 79 9.371 6.941 -7.175 1.00 0.00 N ATOM 1246 CA ILE A 79 9.745 5.524 -6.959 1.00 0.00 C ATOM 1247 C ILE A 79 11.262 5.340 -7.174 1.00 0.00 C ATOM 1248 O ILE A 79 11.880 4.391 -6.702 1.00 0.00 O ATOM 1249 CB ILE A 79 8.801 4.509 -7.639 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.173 5.098 -8.907 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.758 3.934 -6.672 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.154 4.180 -9.560 1.00 0.00 C ATOM 0 H ILE A 79 9.521 7.260 -8.132 1.00 0.00 H new ATOM 0 HA ILE A 79 9.573 5.265 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 79 9.410 3.660 -7.949 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.692 6.044 -8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.963 5.320 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.121 3.226 -7.203 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.264 3.423 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.147 4.743 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.750 4.660 -10.451 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.635 3.243 -9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.345 3.978 -8.859 1.00 0.00 H new ATOM 1264 N SER A 80 11.785 6.347 -7.891 1.00 0.00 N ATOM 1265 CA SER A 80 13.177 6.570 -8.221 1.00 0.00 C ATOM 1266 C SER A 80 13.236 8.098 -8.094 1.00 0.00 C ATOM 1267 O SER A 80 12.397 8.769 -8.676 1.00 0.00 O ATOM 1268 CB SER A 80 13.483 6.075 -9.663 1.00 0.00 C ATOM 1269 OG SER A 80 12.877 4.805 -10.130 1.00 0.00 O ATOM 0 H SER A 80 11.187 7.077 -8.279 1.00 0.00 H new ATOM 0 HA SER A 80 13.905 6.045 -7.603 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.174 6.860 -10.353 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.565 5.977 -9.755 1.00 0.00 H new ATOM 0 HG SER A 80 13.159 4.628 -11.052 1.00 0.00 H new ATOM 1275 N PRO A 81 14.193 8.673 -7.321 1.00 0.00 N ATOM 1276 CA PRO A 81 14.207 10.125 -7.144 1.00 0.00 C ATOM 1277 C PRO A 81 14.451 10.941 -8.429 1.00 0.00 C ATOM 1278 O PRO A 81 14.248 12.148 -8.461 1.00 0.00 O ATOM 1279 CB PRO A 81 15.275 10.360 -6.066 1.00 0.00 C ATOM 1280 CG PRO A 81 15.655 8.983 -5.525 1.00 0.00 C ATOM 1281 CD PRO A 81 15.262 7.990 -6.602 1.00 0.00 C ATOM 0 HA PRO A 81 13.222 10.487 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.145 10.866 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.889 10.997 -5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.723 8.928 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.134 8.773 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.101 7.756 -7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.920 7.048 -6.174 1.00 0.00 H new ATOM 1289 N ARG A 82 14.853 10.197 -9.483 1.00 0.00 N ATOM 1290 CA ARG A 82 15.103 10.782 -10.795 1.00 0.00 C ATOM 1291 C ARG A 82 13.784 10.961 -11.596 1.00 0.00 C ATOM 1292 O ARG A 82 13.728 11.754 -12.528 1.00 0.00 O ATOM 1293 CB ARG A 82 16.214 9.996 -11.515 1.00 0.00 C ATOM 1294 CG ARG A 82 15.955 8.496 -11.739 1.00 0.00 C ATOM 1295 CD ARG A 82 14.926 8.233 -12.839 1.00 0.00 C ATOM 1296 NE ARG A 82 15.299 7.104 -13.691 1.00 0.00 N ATOM 1297 CZ ARG A 82 16.177 7.239 -14.711 1.00 0.00 C ATOM 1298 NH1 ARG A 82 16.774 8.401 -14.948 1.00 0.00 N ATOM 1299 NH2 ARG A 82 16.448 6.198 -15.488 1.00 0.00 N ATOM 0 H ARG A 82 15.008 9.190 -9.438 1.00 0.00 H new ATOM 0 HA ARG A 82 15.484 11.798 -10.689 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.388 10.461 -12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.135 10.102 -10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.892 8.004 -11.999 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.608 8.048 -10.808 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.955 8.037 -12.385 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.817 9.127 -13.452 1.00 0.00 H new ATOM 0 HE ARG A 82 14.885 6.189 -13.511 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.573 9.208 -14.357 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.434 8.487 -15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.995 5.301 -15.315 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.109 6.295 -16.258 1.00 0.00 H new ATOM 1313 N ILE A 83 12.735 10.201 -11.187 1.00 0.00 N ATOM 1314 CA ILE A 83 11.406 10.283 -11.801 1.00 0.00 C ATOM 1315 C ILE A 83 10.313 10.436 -10.719 1.00 0.00 C ATOM 1316 O ILE A 83 10.144 9.638 -9.795 1.00 0.00 O ATOM 1317 CB ILE A 83 11.033 9.103 -12.702 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.155 7.769 -11.969 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.709 9.092 -14.069 1.00 0.00 C ATOM 1320 CD1 ILE A 83 9.803 7.091 -11.934 1.00 0.00 C ATOM 0 H ILE A 83 12.797 9.523 -10.428 1.00 0.00 H new ATOM 0 HA ILE A 83 11.460 11.163 -12.442 1.00 0.00 H new ATOM 0 HB ILE A 83 9.980 9.254 -12.939 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.882 7.130 -12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.520 7.931 -10.955 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.380 8.218 -14.631 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.440 9.996 -14.615 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.791 9.054 -13.940 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.887 6.138 -11.411 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.089 7.729 -11.413 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.457 6.916 -12.953 1.00 0.00 H new ATOM 1332 N THR A 84 9.567 11.528 -10.978 1.00 0.00 N ATOM 1333 CA THR A 84 8.461 11.929 -10.134 1.00 0.00 C ATOM 1334 C THR A 84 7.275 12.274 -11.054 1.00 0.00 C ATOM 1335 O THR A 84 7.446 12.622 -12.216 1.00 0.00 O ATOM 1336 CB THR A 84 8.915 13.176 -9.316 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.332 13.359 -8.964 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.109 13.206 -8.003 1.00 0.00 C ATOM 0 H THR A 84 9.725 12.143 -11.776 1.00 0.00 H new ATOM 0 HA THR A 84 8.160 11.142 -9.443 1.00 0.00 H new ATOM 0 HB THR A 84 8.731 13.989 -10.018 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.438 14.190 -8.455 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.409 14.071 -7.412 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.045 13.273 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.302 12.295 -7.437 1.00 0.00 H new ATOM 1346 N PHE A 85 6.083 12.150 -10.441 1.00 0.00 N ATOM 1347 CA PHE A 85 4.807 12.401 -11.137 1.00 0.00 C ATOM 1348 C PHE A 85 3.775 12.958 -10.117 1.00 0.00 C ATOM 1349 O PHE A 85 3.666 12.415 -9.031 1.00 0.00 O ATOM 1350 CB PHE A 85 4.301 11.078 -11.746 1.00 0.00 C ATOM 1351 CG PHE A 85 5.216 10.549 -12.828 1.00 0.00 C ATOM 1352 CD1 PHE A 85 5.107 11.015 -14.136 1.00 0.00 C ATOM 1353 CD2 PHE A 85 6.190 9.594 -12.537 1.00 0.00 C ATOM 1354 CE1 PHE A 85 5.956 10.545 -15.131 1.00 0.00 C ATOM 1355 CE2 PHE A 85 7.037 9.121 -13.531 1.00 0.00 C ATOM 1356 CZ PHE A 85 6.928 9.601 -14.827 1.00 0.00 C ATOM 0 H PHE A 85 5.977 11.877 -9.464 1.00 0.00 H new ATOM 0 HA PHE A 85 4.945 13.130 -11.935 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.207 10.331 -10.957 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.304 11.231 -12.160 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.354 11.750 -14.380 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.287 9.219 -11.529 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.860 10.914 -16.141 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.783 8.377 -13.294 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.596 9.243 -15.596 1.00 0.00 H new ATOM 1366 N PRO A 86 2.978 14.011 -10.496 1.00 0.00 N ATOM 1367 CA PRO A 86 2.013 14.677 -9.587 1.00 0.00 C ATOM 1368 C PRO A 86 1.012 13.778 -8.838 1.00 0.00 C ATOM 1369 O PRO A 86 0.509 14.137 -7.780 1.00 0.00 O ATOM 1370 CB PRO A 86 1.270 15.686 -10.488 1.00 0.00 C ATOM 1371 CG PRO A 86 1.593 15.278 -11.927 1.00 0.00 C ATOM 1372 CD PRO A 86 2.928 14.539 -11.859 1.00 0.00 C ATOM 0 HA PRO A 86 2.572 15.118 -8.762 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.196 15.656 -10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.599 16.706 -10.287 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.812 14.638 -12.337 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.662 16.152 -12.575 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.978 13.739 -12.598 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.765 15.209 -12.057 1.00 0.00 H new ATOM 1380 N THR A 87 0.774 12.597 -9.422 1.00 0.00 N ATOM 1381 CA THR A 87 -0.123 11.618 -8.822 1.00 0.00 C ATOM 1382 C THR A 87 0.312 10.285 -9.382 1.00 0.00 C ATOM 1383 O THR A 87 1.139 10.217 -10.285 1.00 0.00 O ATOM 1384 CB THR A 87 -1.623 11.796 -9.174 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.595 10.851 -8.617 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.792 12.068 -10.676 1.00 0.00 C ATOM 0 H THR A 87 1.191 12.303 -10.305 1.00 0.00 H new ATOM 0 HA THR A 87 -0.055 11.721 -7.739 1.00 0.00 H new ATOM 0 HB THR A 87 -1.918 12.681 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.495 11.089 -8.923 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.850 12.191 -10.907 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.255 12.978 -10.944 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.391 11.229 -11.245 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.308 9.225 -8.828 1.00 0.00 N ATOM 1395 CA LEU A 88 0.046 7.935 -9.368 1.00 0.00 C ATOM 1396 C LEU A 88 -0.377 7.859 -10.853 1.00 0.00 C ATOM 1397 O LEU A 88 0.355 7.245 -11.601 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.637 6.734 -8.677 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.012 6.112 -7.441 1.00 0.00 C ATOM 1400 CD1 LEU A 88 1.330 5.483 -7.673 1.00 0.00 C ATOM 1401 CD2 LEU A 88 0.074 6.960 -6.225 1.00 0.00 C ATOM 0 H LEU A 88 -0.995 9.242 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 88 1.122 7.859 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.646 7.046 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.736 5.945 -9.422 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.755 5.341 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.702 5.064 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.237 4.690 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.028 6.238 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.540 6.394 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.673 7.845 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.928 7.265 -5.922 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.502 8.495 -11.297 1.00 0.00 N ATOM 1414 CA GLN A 89 -1.873 8.225 -12.716 1.00 0.00 C ATOM 1415 C GLN A 89 -0.865 8.666 -13.783 1.00 0.00 C ATOM 1416 O GLN A 89 -0.705 7.977 -14.778 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.331 8.486 -13.106 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.877 9.869 -12.813 1.00 0.00 C ATOM 1419 CD GLN A 89 -3.314 11.020 -13.674 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -2.737 10.654 -14.833 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -3.416 12.182 -13.312 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.104 9.125 -10.766 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.796 7.138 -12.717 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.436 8.298 -14.175 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.957 7.757 -12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.959 9.844 -12.940 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.684 10.099 -11.765 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.864 12.402 -12.422 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.054 12.933 -13.900 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.197 9.810 -13.555 1.00 0.00 N ATOM 1431 CA ALA A 90 0.790 10.262 -14.546 1.00 0.00 C ATOM 1432 C ALA A 90 2.017 9.315 -14.577 1.00 0.00 C ATOM 1433 O ALA A 90 2.782 9.259 -15.531 1.00 0.00 O ATOM 1434 CB ALA A 90 1.180 11.711 -14.240 1.00 0.00 C ATOM 0 H ALA A 90 -0.313 10.410 -12.738 1.00 0.00 H new ATOM 0 HA ALA A 90 0.352 10.230 -15.544 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.912 12.053 -14.971 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.294 12.344 -14.290 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.611 11.768 -13.241 1.00 0.00 H new ATOM 1440 N LEU A 91 2.121 8.569 -13.463 1.00 0.00 N ATOM 1441 CA LEU A 91 3.131 7.556 -13.240 1.00 0.00 C ATOM 1442 C LEU A 91 2.651 6.238 -13.875 1.00 0.00 C ATOM 1443 O LEU A 91 3.435 5.489 -14.445 1.00 0.00 O ATOM 1444 CB LEU A 91 3.371 7.510 -11.717 1.00 0.00 C ATOM 1445 CG LEU A 91 3.789 6.173 -11.085 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.560 6.446 -9.789 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.542 5.325 -10.773 1.00 0.00 C ATOM 0 H LEU A 91 1.478 8.669 -12.678 1.00 0.00 H new ATOM 0 HA LEU A 91 4.090 7.765 -13.713 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.140 8.245 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.455 7.838 -11.226 1.00 0.00 H new ATOM 0 HG LEU A 91 4.424 5.628 -11.784 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.859 5.500 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.448 7.038 -10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.923 6.994 -9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.848 4.379 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.900 5.865 -10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.995 5.130 -11.695 1.00 0.00 H new ATOM 1459 N VAL A 92 1.317 6.015 -13.770 1.00 0.00 N ATOM 1460 CA VAL A 92 0.725 4.810 -14.300 1.00 0.00 C ATOM 1461 C VAL A 92 0.463 4.920 -15.824 1.00 0.00 C ATOM 1462 O VAL A 92 0.168 3.924 -16.463 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.591 4.414 -13.577 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -0.716 2.917 -13.630 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.801 4.685 -12.072 1.00 0.00 C ATOM 0 H VAL A 92 0.659 6.656 -13.327 1.00 0.00 H new ATOM 0 HA VAL A 92 1.458 4.024 -14.118 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.298 5.050 -14.110 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.634 2.611 -13.128 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.745 2.591 -14.670 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.140 2.463 -13.131 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.787 4.330 -11.773 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.037 4.161 -11.498 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.727 5.756 -11.881 1.00 0.00 H new ATOM 1475 N GLN A 93 0.583 6.158 -16.363 1.00 0.00 N ATOM 1476 CA GLN A 93 0.348 6.438 -17.783 1.00 0.00 C ATOM 1477 C GLN A 93 1.576 5.966 -18.578 1.00 0.00 C ATOM 1478 O GLN A 93 1.490 5.239 -19.561 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.059 7.915 -18.021 1.00 0.00 C ATOM 1480 CG GLN A 93 1.066 8.926 -18.287 1.00 0.00 C ATOM 1481 CD GLN A 93 1.594 8.858 -19.731 1.00 0.00 C ATOM 1482 OE1 GLN A 93 1.099 8.118 -20.572 1.00 0.00 O ATOM 1483 NE2 GLN A 93 2.634 9.672 -19.957 1.00 0.00 N ATOM 0 H GLN A 93 0.845 6.981 -15.820 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.511 5.877 -18.150 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.744 7.943 -18.869 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.617 8.255 -17.149 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.700 9.933 -18.085 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.887 8.741 -17.595 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.993 10.261 -19.206 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.067 9.702 -20.880 1.00 0.00 H new ATOM 1492 N HIS A 94 2.727 6.418 -18.036 1.00 0.00 N ATOM 1493 CA HIS A 94 4.045 6.111 -18.568 1.00 0.00 C ATOM 1494 C HIS A 94 4.272 4.591 -18.494 1.00 0.00 C ATOM 1495 O HIS A 94 4.795 3.964 -19.409 1.00 0.00 O ATOM 1496 CB HIS A 94 5.045 6.900 -17.700 1.00 0.00 C ATOM 1497 CG HIS A 94 6.498 6.569 -17.977 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.465 6.738 -17.051 1.00 0.00 N ATOM 1499 CD2 HIS A 94 7.094 6.063 -19.146 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.610 6.346 -17.631 1.00 0.00 C ATOM 1501 NE2 HIS A 94 8.417 5.933 -18.898 1.00 0.00 N ATOM 0 H HIS A 94 2.753 7.012 -17.207 1.00 0.00 H new ATOM 0 HA HIS A 94 4.163 6.395 -19.614 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.889 7.966 -17.863 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.832 6.703 -16.649 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.589 5.823 -20.070 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.572 6.360 -17.140 1.00 0.00 H new ATOM 0 HE2 HIS A 94 9.128 5.590 -19.543 1.00 0.00 H new ATOM 1509 N TYR A 95 3.800 4.059 -17.350 1.00 0.00 N ATOM 1510 CA TYR A 95 3.935 2.641 -17.078 1.00 0.00 C ATOM 1511 C TYR A 95 2.894 1.797 -17.796 1.00 0.00 C ATOM 1512 O TYR A 95 3.123 0.610 -17.998 1.00 0.00 O ATOM 1513 CB TYR A 95 3.916 2.400 -15.582 1.00 0.00 C ATOM 1514 CG TYR A 95 5.100 2.971 -14.849 1.00 0.00 C ATOM 1515 CD1 TYR A 95 6.179 3.593 -15.479 1.00 0.00 C ATOM 1516 CD2 TYR A 95 5.126 2.844 -13.475 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.265 4.050 -14.754 1.00 0.00 C ATOM 1518 CE2 TYR A 95 6.207 3.280 -12.736 1.00 0.00 C ATOM 1519 CZ TYR A 95 7.309 3.862 -13.371 1.00 0.00 C ATOM 1520 OH TYR A 95 8.436 4.218 -12.642 1.00 0.00 O ATOM 0 H TYR A 95 3.331 4.592 -16.618 1.00 0.00 H new ATOM 0 HA TYR A 95 4.897 2.320 -17.477 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.004 2.831 -15.168 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.873 1.326 -15.399 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.166 3.720 -16.551 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.284 2.395 -12.968 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.078 4.552 -15.257 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.202 3.171 -11.662 1.00 0.00 H new ATOM 0 HH TYR A 95 9.009 4.796 -13.188 1.00 0.00 H new ATOM 1530 N SER A 96 1.762 2.434 -18.192 1.00 0.00 N ATOM 1531 CA SER A 96 0.775 1.645 -18.941 1.00 0.00 C ATOM 1532 C SER A 96 1.413 1.137 -20.262 1.00 0.00 C ATOM 1533 O SER A 96 1.013 0.120 -20.814 1.00 0.00 O ATOM 1534 CB SER A 96 -0.520 2.469 -19.250 1.00 0.00 C ATOM 1535 OG SER A 96 -1.454 2.920 -18.186 1.00 0.00 O ATOM 0 H SER A 96 1.528 3.412 -18.020 1.00 0.00 H new ATOM 0 HA SER A 96 0.481 0.798 -18.321 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.200 3.364 -19.783 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.108 1.875 -19.949 1.00 0.00 H new ATOM 0 HG SER A 96 -0.942 3.285 -17.434 1.00 0.00 H new ATOM 1541 N LYS A 97 2.440 1.905 -20.698 1.00 0.00 N ATOM 1542 CA LYS A 97 3.218 1.564 -21.882 1.00 0.00 C ATOM 1543 C LYS A 97 4.403 0.647 -21.504 1.00 0.00 C ATOM 1544 O LYS A 97 4.441 -0.531 -21.837 1.00 0.00 O ATOM 1545 CB LYS A 97 3.716 2.858 -22.545 1.00 0.00 C ATOM 1546 CG LYS A 97 2.597 3.602 -23.278 1.00 0.00 C ATOM 1547 CD LYS A 97 2.103 2.814 -24.495 1.00 0.00 C ATOM 1548 CE LYS A 97 1.174 3.628 -25.398 1.00 0.00 C ATOM 1549 NZ LYS A 97 1.899 4.625 -26.180 1.00 0.00 N ATOM 0 H LYS A 97 2.739 2.764 -20.236 1.00 0.00 H new ATOM 0 HA LYS A 97 2.590 1.020 -22.588 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.147 3.511 -21.785 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.513 2.620 -23.249 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.766 3.777 -22.594 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.957 4.580 -23.598 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.962 2.477 -25.076 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.579 1.921 -24.154 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.644 2.955 -26.072 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.421 4.125 -24.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.235 5.129 -26.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.356 5.304 -25.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.623 4.153 -26.758 1.00 0.00 H new ATOM 1563 N LYS A 98 5.350 1.281 -20.783 1.00 0.00 N ATOM 1564 CA LYS A 98 6.573 0.626 -20.317 1.00 0.00 C ATOM 1565 C LYS A 98 6.902 1.094 -18.880 1.00 0.00 C ATOM 1566 O LYS A 98 6.923 2.270 -18.542 1.00 0.00 O ATOM 1567 CB LYS A 98 7.689 0.803 -21.339 1.00 0.00 C ATOM 1568 CG LYS A 98 8.245 2.214 -21.311 1.00 0.00 C ATOM 1569 CD LYS A 98 9.525 2.362 -20.501 1.00 0.00 C ATOM 1570 CE LYS A 98 10.622 1.383 -20.909 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.937 1.851 -20.489 1.00 0.00 N ATOM 0 H LYS A 98 5.281 2.262 -20.511 1.00 0.00 H new ATOM 0 HA LYS A 98 6.437 -0.453 -20.242 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.488 0.091 -21.134 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.310 0.579 -22.336 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.436 2.538 -22.334 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.489 2.883 -20.900 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.899 3.380 -20.611 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.296 2.219 -19.445 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.423 0.407 -20.467 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.610 1.251 -21.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.482 2.149 -21.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.828 2.657 -19.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.440 1.082 -20.003 1.00 0.00 H new ATOM 1585 N GLY A 99 7.186 0.045 -18.092 1.00 0.00 N ATOM 1586 CA GLY A 99 7.489 0.100 -16.663 1.00 0.00 C ATOM 1587 C GLY A 99 8.666 0.991 -16.246 1.00 0.00 C ATOM 1588 O GLY A 99 8.735 1.464 -15.120 1.00 0.00 O ATOM 0 H GLY A 99 7.210 -0.907 -18.456 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.598 0.445 -16.138 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.690 -0.914 -16.318 1.00 0.00 H new ATOM 1592 N ASP A 100 9.601 1.151 -17.197 1.00 0.00 N ATOM 1593 CA ASP A 100 10.793 1.980 -17.004 1.00 0.00 C ATOM 1594 C ASP A 100 11.545 1.698 -15.680 1.00 0.00 C ATOM 1595 O ASP A 100 11.854 2.594 -14.904 1.00 0.00 O ATOM 1596 CB ASP A 100 10.422 3.469 -17.135 1.00 0.00 C ATOM 1597 CG ASP A 100 11.627 4.303 -17.603 1.00 0.00 C ATOM 1598 OD1 ASP A 100 12.104 4.064 -18.714 1.00 0.00 O ATOM 1599 OD2 ASP A 100 12.079 5.171 -16.859 1.00 0.00 O ATOM 0 H ASP A 100 9.549 0.710 -18.115 1.00 0.00 H new ATOM 0 HA ASP A 100 11.496 1.710 -17.792 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.601 3.581 -17.844 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.068 3.844 -16.175 1.00 0.00 H new ATOM 1604 N GLY A 101 11.809 0.392 -15.493 1.00 0.00 N ATOM 1605 CA GLY A 101 12.533 -0.073 -14.304 1.00 0.00 C ATOM 1606 C GLY A 101 11.703 -0.963 -13.371 1.00 0.00 C ATOM 1607 O GLY A 101 12.241 -1.678 -12.533 1.00 0.00 O ATOM 0 H GLY A 101 11.535 -0.347 -16.141 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.417 -0.625 -14.623 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.884 0.794 -13.744 1.00 0.00 H new ATOM 1611 N LEU A 102 10.370 -0.906 -13.580 1.00 0.00 N ATOM 1612 CA LEU A 102 9.414 -1.688 -12.793 1.00 0.00 C ATOM 1613 C LEU A 102 9.646 -3.217 -12.922 1.00 0.00 C ATOM 1614 O LEU A 102 9.174 -3.971 -12.081 1.00 0.00 O ATOM 1615 CB LEU A 102 7.989 -1.302 -13.261 1.00 0.00 C ATOM 1616 CG LEU A 102 7.297 -0.100 -12.573 1.00 0.00 C ATOM 1617 CD1 LEU A 102 5.797 -0.364 -12.419 1.00 0.00 C ATOM 1618 CD2 LEU A 102 7.864 0.319 -11.210 1.00 0.00 C ATOM 0 H LEU A 102 9.937 -0.320 -14.294 1.00 0.00 H new ATOM 0 HA LEU A 102 9.549 -1.457 -11.736 1.00 0.00 H new ATOM 0 HB2 LEU A 102 8.034 -1.094 -14.330 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.348 -2.174 -13.133 1.00 0.00 H new ATOM 0 HG LEU A 102 7.499 0.734 -13.245 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.325 0.490 -11.934 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.351 -0.515 -13.402 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.645 -1.256 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.300 1.169 -10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.784 -0.514 -10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.911 0.599 -11.322 1.00 0.00 H new ATOM 1630 N CYS A 103 10.378 -3.620 -13.995 1.00 0.00 N ATOM 1631 CA CYS A 103 10.733 -5.010 -14.335 1.00 0.00 C ATOM 1632 C CYS A 103 9.642 -5.674 -15.200 1.00 0.00 C ATOM 1633 O CYS A 103 9.901 -6.401 -16.149 1.00 0.00 O ATOM 1634 CB CYS A 103 11.122 -5.882 -13.126 1.00 0.00 C ATOM 1635 SG CYS A 103 9.761 -6.667 -12.221 1.00 0.00 S ATOM 0 H CYS A 103 10.749 -2.951 -14.670 1.00 0.00 H new ATOM 0 HA CYS A 103 11.644 -4.940 -14.930 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.797 -6.665 -13.473 1.00 0.00 H new ATOM 0 HB3 CYS A 103 11.684 -5.264 -12.427 1.00 0.00 H new ATOM 0 HG CYS A 103 8.965 -5.751 -11.754 1.00 0.00 H new ATOM 1641 N GLN A 104 8.416 -5.338 -14.776 1.00 0.00 N ATOM 1642 CA GLN A 104 7.144 -5.730 -15.329 1.00 0.00 C ATOM 1643 C GLN A 104 6.294 -4.496 -15.066 1.00 0.00 C ATOM 1644 O GLN A 104 5.991 -4.148 -13.932 1.00 0.00 O ATOM 1645 CB GLN A 104 6.576 -6.960 -14.594 1.00 0.00 C ATOM 1646 CG GLN A 104 7.315 -8.277 -14.893 1.00 0.00 C ATOM 1647 CD GLN A 104 7.167 -8.681 -16.369 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.075 -8.922 -16.866 1.00 0.00 O ATOM 1649 NE2 GLN A 104 8.327 -8.725 -17.044 1.00 0.00 N ATOM 0 H GLN A 104 8.296 -4.731 -13.965 1.00 0.00 H new ATOM 0 HA GLN A 104 7.189 -6.020 -16.379 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.610 -6.774 -13.520 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.527 -7.077 -14.864 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.372 -8.167 -14.649 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.922 -9.069 -14.256 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.203 -8.512 -16.567 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.332 -8.971 -18.034 1.00 0.00 H new ATOM 1658 N LYS A 105 6.002 -3.857 -16.206 1.00 0.00 N ATOM 1659 CA LYS A 105 5.229 -2.635 -16.304 1.00 0.00 C ATOM 1660 C LYS A 105 3.861 -2.789 -15.649 1.00 0.00 C ATOM 1661 O LYS A 105 3.582 -3.723 -14.919 1.00 0.00 O ATOM 1662 CB LYS A 105 5.105 -2.285 -17.801 1.00 0.00 C ATOM 1663 CG LYS A 105 3.977 -2.996 -18.598 1.00 0.00 C ATOM 1664 CD LYS A 105 4.493 -4.145 -19.450 1.00 0.00 C ATOM 1665 CE LYS A 105 5.102 -3.655 -20.756 1.00 0.00 C ATOM 1666 NZ LYS A 105 4.102 -3.321 -21.767 1.00 0.00 N ATOM 0 H LYS A 105 6.315 -4.199 -17.115 1.00 0.00 H new ATOM 0 HA LYS A 105 5.730 -1.827 -15.771 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.954 -1.209 -17.886 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.056 -2.513 -18.283 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.229 -3.374 -17.901 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.478 -2.270 -19.239 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.241 -4.706 -18.889 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.675 -4.832 -19.666 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.715 -2.776 -20.556 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.766 -4.424 -21.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.336 -3.802 -22.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.164 -3.630 -21.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.094 -2.292 -21.921 1.00 0.00 H new ATOM 1680 N LEU A 106 3.021 -1.811 -16.003 1.00 0.00 N ATOM 1681 CA LEU A 106 1.650 -1.756 -15.533 1.00 0.00 C ATOM 1682 C LEU A 106 0.697 -2.070 -16.706 1.00 0.00 C ATOM 1683 O LEU A 106 0.891 -1.587 -17.811 1.00 0.00 O ATOM 1684 CB LEU A 106 1.494 -0.368 -14.911 1.00 0.00 C ATOM 1685 CG LEU A 106 2.353 -0.179 -13.636 1.00 0.00 C ATOM 1686 CD1 LEU A 106 1.910 1.055 -12.863 1.00 0.00 C ATOM 1687 CD2 LEU A 106 2.387 -1.385 -12.675 1.00 0.00 C ATOM 0 H LEU A 106 3.280 -1.042 -16.621 1.00 0.00 H new ATOM 0 HA LEU A 106 1.398 -2.500 -14.777 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.772 0.387 -15.646 1.00 0.00 H new ATOM 0 HB3 LEU A 106 0.445 -0.202 -14.665 1.00 0.00 H new ATOM 0 HG LEU A 106 3.368 -0.064 -14.015 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.528 1.167 -11.972 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.019 1.938 -13.493 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.866 0.945 -12.570 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.015 -1.148 -11.816 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.376 -1.607 -12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.794 -2.253 -13.194 1.00 0.00 H new ATOM 1699 N THR A 107 -0.303 -2.937 -16.419 1.00 0.00 N ATOM 1700 CA THR A 107 -1.272 -3.368 -17.426 1.00 0.00 C ATOM 1701 C THR A 107 -2.713 -3.123 -16.966 1.00 0.00 C ATOM 1702 O THR A 107 -3.412 -2.271 -17.498 1.00 0.00 O ATOM 1703 CB THR A 107 -1.029 -4.855 -17.846 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.513 -5.962 -17.015 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.460 -5.032 -18.287 1.00 0.00 C ATOM 0 H THR A 107 -0.450 -3.345 -15.496 1.00 0.00 H new ATOM 0 HA THR A 107 -1.121 -2.756 -18.315 1.00 0.00 H new ATOM 0 HB THR A 107 -1.728 -4.978 -18.673 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.139 -6.806 -17.344 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.632 -6.068 -18.580 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.670 -4.376 -19.132 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.118 -4.776 -17.457 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.112 -3.922 -15.956 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.481 -3.825 -15.423 1.00 0.00 C ATOM 1715 C LEU A 108 -4.427 -3.312 -13.971 1.00 0.00 C ATOM 1716 O LEU A 108 -3.351 -3.138 -13.433 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.109 -5.226 -15.537 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.174 -5.722 -16.995 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.121 -7.246 -17.092 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.412 -5.170 -17.708 1.00 0.00 C ATOM 0 H LEU A 108 -2.523 -4.622 -15.505 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.094 -3.117 -15.980 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.529 -5.931 -14.941 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.115 -5.206 -15.117 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.287 -5.340 -17.500 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.170 -7.546 -18.139 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.190 -7.606 -16.654 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.965 -7.675 -16.552 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.434 -5.535 -18.735 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.310 -5.501 -17.186 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.375 -4.081 -17.711 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.586 -3.027 -13.321 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.556 -2.576 -11.932 1.00 0.00 C ATOM 1734 C PRO A 109 -5.976 -3.677 -10.937 1.00 0.00 C ATOM 1735 O PRO A 109 -6.195 -3.407 -9.767 1.00 0.00 O ATOM 1736 CB PRO A 109 -6.583 -1.458 -11.934 1.00 0.00 C ATOM 1737 CG PRO A 109 -7.630 -1.880 -12.968 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.913 -2.863 -13.920 1.00 0.00 C ATOM 0 HA PRO A 109 -4.556 -2.281 -11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.031 -1.332 -10.948 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -6.127 -0.505 -12.201 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.485 -2.356 -12.487 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.011 -1.016 -13.513 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -7.442 -3.814 -13.986 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -6.848 -2.464 -14.932 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.081 -4.906 -11.493 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.479 -6.133 -10.797 1.00 0.00 C ATOM 1748 C CYS A 110 -8.005 -6.327 -10.862 1.00 0.00 C ATOM 1749 O CYS A 110 -8.764 -5.377 -11.000 1.00 0.00 O ATOM 1750 CB CYS A 110 -5.916 -6.265 -9.375 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.040 -7.937 -8.687 1.00 0.00 S ATOM 0 H CYS A 110 -5.881 -5.067 -12.480 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.014 -6.958 -11.337 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -4.869 -5.962 -9.380 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.445 -5.573 -8.720 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.154 -8.797 -9.655 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.384 -7.620 -10.761 1.00 0.00 N ATOM 1758 CA VAL A 111 -9.771 -8.067 -10.836 1.00 0.00 C ATOM 1759 C VAL A 111 -10.615 -7.325 -9.784 1.00 0.00 C ATOM 1760 O VAL A 111 -10.364 -7.390 -8.590 1.00 0.00 O ATOM 1761 CB VAL A 111 -9.824 -9.605 -10.713 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -9.362 -10.136 -9.346 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -11.211 -10.150 -11.076 1.00 0.00 C ATOM 0 H VAL A 111 -7.720 -8.382 -10.624 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.208 -7.820 -11.804 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.102 -9.980 -11.439 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.428 -11.224 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.330 -9.833 -9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.000 -9.728 -8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.212 -11.236 -10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -11.956 -9.724 -10.404 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.451 -9.878 -12.104 1.00 0.00 H new