USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 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 32 ASN : amide:sc= 0.332 X(o=0.23,f=-0.11) USER MOD Set 1.2: A 76 MET CE :methyl -151:sc= -0.101 (180deg=-0.505) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.582 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 163:sc= -1.32 (180deg=-1.72) USER MOD Single : A 37 TYR OH : rot 70:sc= -1.03 USER MOD Single : A 38 CYS SG : rot 180:sc= -2.62! USER MOD Single : A 43 HIS :FLIP no HD1:sc= 0.0416 F(o=-0.8,f=0.042) USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000684 USER MOD Single : A 47 GLN : amide:sc= -1.91 X(o=-1.9,f=-2!) USER MOD Single : A 51 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.92) USER MOD Single : A 53 THR OG1 : rot -167:sc= 0.344 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.236 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 71 GLN : amide:sc= -0.0544 K(o=-0.054,f=-1.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= -6.38! (180deg=-8.16!) USER MOD Single : A 82 MET CE :methyl 159:sc= -1.73! (180deg=-2.38!) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.638 4.790 -27.865 1.00 0.00 N ATOM 179 CA LYS A 15 21.758 5.259 -28.673 1.00 0.00 C ATOM 180 C LYS A 15 21.818 6.783 -28.688 1.00 0.00 C ATOM 181 O LYS A 15 22.873 7.369 -28.926 1.00 0.00 O ATOM 182 CB LYS A 15 21.639 4.729 -30.103 1.00 0.00 C ATOM 183 CG LYS A 15 22.206 3.331 -30.284 1.00 0.00 C ATOM 184 CD LYS A 15 21.596 2.350 -29.296 1.00 0.00 C ATOM 185 CE LYS A 15 21.721 0.916 -29.785 1.00 0.00 C ATOM 186 NZ LYS A 15 21.015 -0.040 -28.888 1.00 0.00 N ATOM 0 HA LYS A 15 22.678 4.881 -28.227 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.589 4.726 -30.394 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.155 5.411 -30.778 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.016 2.989 -31.302 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.288 3.356 -30.152 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.090 2.450 -28.330 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.545 2.593 -29.143 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.311 0.839 -30.792 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.775 0.644 -29.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.124 -1.007 -29.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.422 0.015 -27.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.005 0.203 -28.848 1.00 0.00 H new ATOM 200 N GLU A 16 20.679 7.418 -28.430 1.00 0.00 N ATOM 201 CA GLU A 16 20.603 8.874 -28.414 1.00 0.00 C ATOM 202 C GLU A 16 20.381 9.391 -26.995 1.00 0.00 C ATOM 203 O GLU A 16 21.129 10.240 -26.508 1.00 0.00 O ATOM 204 CB GLU A 16 19.476 9.359 -29.327 1.00 0.00 C ATOM 205 CG GLU A 16 18.343 8.358 -29.481 1.00 0.00 C ATOM 206 CD GLU A 16 17.027 9.017 -29.845 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.352 9.538 -28.933 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.673 9.012 -31.042 1.00 0.00 O ATOM 0 H GLU A 16 19.797 6.947 -28.229 1.00 0.00 H new ATOM 0 HA GLU A 16 21.552 9.266 -28.781 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.074 10.291 -28.930 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.888 9.583 -30.311 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.607 7.632 -30.250 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.223 7.805 -28.549 1.00 0.00 H new ATOM 215 N VAL A 17 19.348 8.874 -26.338 1.00 0.00 N ATOM 216 CA VAL A 17 19.027 9.282 -24.975 1.00 0.00 C ATOM 217 C VAL A 17 19.163 10.791 -24.807 1.00 0.00 C ATOM 218 O VAL A 17 19.389 11.286 -23.703 1.00 0.00 O ATOM 219 CB VAL A 17 19.936 8.578 -23.950 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.338 9.168 -23.985 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.341 8.679 -22.554 1.00 0.00 C ATOM 0 H VAL A 17 18.719 8.172 -26.727 1.00 0.00 H new ATOM 0 HA VAL A 17 17.993 8.991 -24.792 1.00 0.00 H new ATOM 0 HB VAL A 17 20.005 7.523 -24.216 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.966 8.658 -23.254 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.762 9.039 -24.981 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.292 10.230 -23.745 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.996 8.176 -21.842 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.240 9.728 -22.276 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.360 8.205 -22.542 1.00 0.00 H new ATOM 231 N VAL A 18 19.023 11.519 -25.910 1.00 0.00 N ATOM 232 CA VAL A 18 19.128 12.973 -25.886 1.00 0.00 C ATOM 233 C VAL A 18 17.807 13.627 -26.274 1.00 0.00 C ATOM 234 O VAL A 18 17.402 14.630 -25.687 1.00 0.00 O ATOM 235 CB VAL A 18 20.234 13.472 -26.835 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.604 13.048 -26.328 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.996 12.958 -28.246 1.00 0.00 C ATOM 0 H VAL A 18 18.836 11.125 -26.832 1.00 0.00 H new ATOM 0 HA VAL A 18 19.382 13.254 -24.864 1.00 0.00 H new ATOM 0 HB VAL A 18 20.204 14.561 -26.860 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.373 13.409 -27.011 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.772 13.470 -25.337 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.651 11.960 -26.272 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.787 13.320 -28.903 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.999 11.868 -28.241 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.032 13.317 -28.606 1.00 0.00 H new ATOM 247 N TYR A 19 17.138 13.051 -27.267 1.00 0.00 N ATOM 248 CA TYR A 19 15.862 13.578 -27.737 1.00 0.00 C ATOM 249 C TYR A 19 14.706 13.027 -26.908 1.00 0.00 C ATOM 250 O TYR A 19 13.541 13.315 -27.179 1.00 0.00 O ATOM 251 CB TYR A 19 15.656 13.234 -29.213 1.00 0.00 C ATOM 252 CG TYR A 19 16.875 13.490 -30.070 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.166 14.766 -30.535 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.736 12.455 -30.416 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.278 15.005 -31.319 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.851 12.685 -31.198 1.00 0.00 C ATOM 257 CZ TYR A 19 19.118 13.961 -31.648 1.00 0.00 C ATOM 258 OH TYR A 19 20.227 14.194 -32.429 1.00 0.00 O ATOM 0 H TYR A 19 17.458 12.219 -27.762 1.00 0.00 H new ATOM 0 HA TYR A 19 15.882 14.662 -27.623 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.377 12.184 -29.297 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.821 13.818 -29.600 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.511 15.586 -30.279 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.530 11.454 -30.067 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.489 16.004 -31.672 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.511 11.870 -31.456 1.00 0.00 H new ATOM 0 HH TYR A 19 20.712 13.354 -32.567 1.00 0.00 H new ATOM 268 N TRP A 20 15.039 12.233 -25.897 1.00 0.00 N ATOM 269 CA TRP A 20 14.029 11.640 -25.027 1.00 0.00 C ATOM 270 C TRP A 20 13.076 12.705 -24.494 1.00 0.00 C ATOM 271 O TRP A 20 13.332 13.902 -24.627 1.00 0.00 O ATOM 272 CB TRP A 20 14.696 10.907 -23.862 1.00 0.00 C ATOM 273 CG TRP A 20 15.135 9.517 -24.209 1.00 0.00 C ATOM 274 CD1 TRP A 20 15.078 8.921 -25.436 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.696 8.547 -23.316 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.569 7.640 -25.361 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.956 7.387 -24.071 1.00 0.00 C ATOM 278 CE3 TRP A 20 16.006 8.548 -21.954 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.509 6.241 -23.507 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.554 7.409 -21.395 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.802 6.269 -22.171 1.00 0.00 C ATOM 0 H TRP A 20 15.999 11.985 -25.659 1.00 0.00 H new ATOM 0 HA TRP A 20 13.454 10.925 -25.615 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.561 11.481 -23.528 1.00 0.00 H new ATOM 0 HB3 TRP A 20 14.000 10.862 -23.024 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.702 9.388 -26.334 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.635 6.984 -26.139 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.821 9.423 -21.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.700 5.361 -24.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.795 7.397 -20.342 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.233 5.395 -21.705 1.00 0.00 H new ATOM 292 N SER A 21 11.978 12.262 -23.891 1.00 0.00 N ATOM 293 CA SER A 21 10.985 13.179 -23.342 1.00 0.00 C ATOM 294 C SER A 21 11.209 13.389 -21.847 1.00 0.00 C ATOM 295 O SER A 21 11.953 12.656 -21.196 1.00 0.00 O ATOM 296 CB SER A 21 9.574 12.642 -23.587 1.00 0.00 C ATOM 297 OG SER A 21 9.024 12.092 -22.403 1.00 0.00 O ATOM 0 H SER A 21 11.753 11.275 -23.770 1.00 0.00 H new ATOM 0 HA SER A 21 11.093 14.139 -23.847 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.934 13.446 -23.950 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.602 11.881 -24.366 1.00 0.00 H new ATOM 0 HG SER A 21 8.121 11.757 -22.586 1.00 0.00 H new ATOM 303 N PRO A 22 10.550 14.416 -21.290 1.00 0.00 N ATOM 304 CA PRO A 22 10.659 14.748 -19.867 1.00 0.00 C ATOM 305 C PRO A 22 9.991 13.707 -18.975 1.00 0.00 C ATOM 306 O PRO A 22 10.208 13.680 -17.764 1.00 0.00 O ATOM 307 CB PRO A 22 9.933 16.091 -19.759 1.00 0.00 C ATOM 308 CG PRO A 22 8.975 16.096 -20.900 1.00 0.00 C ATOM 309 CD PRO A 22 9.646 15.331 -22.007 1.00 0.00 C ATOM 0 HA PRO A 22 11.697 14.781 -19.535 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.413 16.185 -18.805 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.632 16.925 -19.825 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.031 15.629 -20.619 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.746 17.115 -21.213 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.923 14.787 -22.615 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.193 15.993 -22.678 1.00 0.00 H new ATOM 317 N LYS A 23 9.176 12.850 -19.582 1.00 0.00 N ATOM 318 CA LYS A 23 8.476 11.806 -18.845 1.00 0.00 C ATOM 319 C LYS A 23 9.233 10.484 -18.924 1.00 0.00 C ATOM 320 O LYS A 23 9.111 9.633 -18.042 1.00 0.00 O ATOM 321 CB LYS A 23 7.059 11.627 -19.393 1.00 0.00 C ATOM 322 CG LYS A 23 6.216 12.889 -19.321 1.00 0.00 C ATOM 323 CD LYS A 23 5.782 13.188 -17.895 1.00 0.00 C ATOM 324 CE LYS A 23 5.389 14.648 -17.728 1.00 0.00 C ATOM 325 NZ LYS A 23 4.121 14.967 -18.440 1.00 0.00 N ATOM 0 H LYS A 23 8.984 12.859 -20.584 1.00 0.00 H new ATOM 0 HA LYS A 23 8.419 12.111 -17.800 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.118 11.298 -20.431 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.560 10.834 -18.835 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.786 13.731 -19.713 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.336 12.777 -19.954 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.939 12.550 -17.628 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.594 12.947 -17.208 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.277 14.875 -16.668 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.188 15.285 -18.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.888 15.971 -18.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.235 14.775 -19.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.352 14.378 -18.061 1.00 0.00 H new ATOM 339 N LYS A 24 10.016 10.318 -19.984 1.00 0.00 N ATOM 340 CA LYS A 24 10.795 9.101 -20.178 1.00 0.00 C ATOM 341 C LYS A 24 12.004 9.074 -19.248 1.00 0.00 C ATOM 342 O LYS A 24 12.202 8.117 -18.499 1.00 0.00 O ATOM 343 CB LYS A 24 11.256 8.992 -21.634 1.00 0.00 C ATOM 344 CG LYS A 24 12.445 8.067 -21.828 1.00 0.00 C ATOM 345 CD LYS A 24 12.173 6.683 -21.263 1.00 0.00 C ATOM 346 CE LYS A 24 13.386 5.776 -21.402 1.00 0.00 C ATOM 347 NZ LYS A 24 13.018 4.337 -21.286 1.00 0.00 N ATOM 0 H LYS A 24 10.128 11.012 -20.723 1.00 0.00 H new ATOM 0 HA LYS A 24 10.157 8.250 -19.940 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.426 8.635 -22.243 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.516 9.986 -21.999 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.676 7.988 -22.890 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.322 8.494 -21.342 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.898 6.766 -20.212 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.323 6.238 -21.781 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.863 5.952 -22.366 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.117 6.027 -20.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.872 3.751 -21.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.586 4.163 -20.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.339 4.091 -22.035 1.00 0.00 H new ATOM 361 N VAL A 25 12.808 10.131 -19.299 1.00 0.00 N ATOM 362 CA VAL A 25 13.996 10.230 -18.459 1.00 0.00 C ATOM 363 C VAL A 25 13.728 9.682 -17.062 1.00 0.00 C ATOM 364 O VAL A 25 14.586 9.033 -16.464 1.00 0.00 O ATOM 365 CB VAL A 25 14.482 11.686 -18.343 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.645 11.785 -17.368 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.874 12.227 -19.710 1.00 0.00 C ATOM 0 H VAL A 25 12.658 10.931 -19.913 1.00 0.00 H new ATOM 0 HA VAL A 25 14.773 9.633 -18.938 1.00 0.00 H new ATOM 0 HB VAL A 25 13.664 12.294 -17.958 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.975 12.822 -17.299 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.326 11.440 -16.385 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.469 11.165 -17.720 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.215 13.257 -19.609 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.677 11.618 -20.126 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.011 12.194 -20.375 1.00 0.00 H new ATOM 377 N ALA A 26 12.532 9.947 -16.547 1.00 0.00 N ATOM 378 CA ALA A 26 12.150 9.479 -15.221 1.00 0.00 C ATOM 379 C ALA A 26 12.032 7.959 -15.189 1.00 0.00 C ATOM 380 O ALA A 26 12.717 7.290 -14.415 1.00 0.00 O ATOM 381 CB ALA A 26 10.839 10.121 -14.792 1.00 0.00 C ATOM 0 H ALA A 26 11.811 10.484 -17.029 1.00 0.00 H new ATOM 0 HA ALA A 26 12.932 9.772 -14.520 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.566 9.762 -13.800 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.956 11.204 -14.767 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.055 9.857 -15.502 1.00 0.00 H new ATOM 387 N ASP A 27 11.158 7.420 -16.032 1.00 0.00 N ATOM 388 CA ASP A 27 10.951 5.978 -16.100 1.00 0.00 C ATOM 389 C ASP A 27 12.282 5.235 -16.064 1.00 0.00 C ATOM 390 O ASP A 27 12.392 4.167 -15.462 1.00 0.00 O ATOM 391 CB ASP A 27 10.182 5.611 -17.370 1.00 0.00 C ATOM 392 CG ASP A 27 8.680 5.642 -17.167 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.178 6.635 -16.599 1.00 0.00 O ATOM 394 OD2 ASP A 27 8.006 4.675 -17.578 1.00 0.00 O ATOM 0 H ASP A 27 10.582 7.960 -16.678 1.00 0.00 H new ATOM 0 HA ASP A 27 10.365 5.679 -15.231 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.452 6.303 -18.168 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.481 4.615 -17.697 1.00 0.00 H new ATOM 399 N TRP A 28 13.290 5.807 -16.712 1.00 0.00 N ATOM 400 CA TRP A 28 14.615 5.198 -16.754 1.00 0.00 C ATOM 401 C TRP A 28 15.229 5.133 -15.360 1.00 0.00 C ATOM 402 O TRP A 28 15.925 4.175 -15.021 1.00 0.00 O ATOM 403 CB TRP A 28 15.531 5.985 -17.693 1.00 0.00 C ATOM 404 CG TRP A 28 16.950 5.502 -17.681 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.444 4.394 -18.307 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.057 6.112 -17.008 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.791 4.278 -18.064 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.192 5.320 -17.270 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.201 7.251 -16.211 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.450 5.631 -16.763 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.450 7.558 -15.708 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.562 6.752 -15.985 1.00 0.00 C ATOM 0 H TRP A 28 13.216 6.691 -17.215 1.00 0.00 H new ATOM 0 HA TRP A 28 14.508 4.181 -17.131 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.141 5.919 -18.709 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.511 7.038 -17.411 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.861 3.709 -18.905 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.395 3.536 -18.418 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.351 7.880 -15.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.308 5.010 -16.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.572 8.435 -15.090 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.525 7.020 -15.577 1.00 0.00 H new ATOM 423 N LEU A 29 14.968 6.157 -14.556 1.00 0.00 N ATOM 424 CA LEU A 29 15.496 6.217 -13.197 1.00 0.00 C ATOM 425 C LEU A 29 14.900 5.110 -12.333 1.00 0.00 C ATOM 426 O LEU A 29 15.611 4.214 -11.875 1.00 0.00 O ATOM 427 CB LEU A 29 15.200 7.582 -12.573 1.00 0.00 C ATOM 428 CG LEU A 29 15.808 8.791 -13.285 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.162 10.078 -12.797 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.314 8.834 -13.070 1.00 0.00 C ATOM 0 H LEU A 29 14.394 6.957 -14.821 1.00 0.00 H new ATOM 0 HA LEU A 29 16.575 6.074 -13.246 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.119 7.714 -12.534 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.558 7.574 -11.543 1.00 0.00 H new ATOM 0 HG LEU A 29 15.616 8.694 -14.354 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.607 10.928 -13.315 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.092 10.048 -13.002 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.323 10.182 -11.724 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.730 9.701 -13.584 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.527 8.907 -12.004 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.765 7.925 -13.469 1.00 0.00 H new ATOM 442 N LEU A 30 13.591 5.177 -12.115 1.00 0.00 N ATOM 443 CA LEU A 30 12.899 4.179 -11.307 1.00 0.00 C ATOM 444 C LEU A 30 13.215 2.768 -11.794 1.00 0.00 C ATOM 445 O LEU A 30 13.299 1.832 -11.001 1.00 0.00 O ATOM 446 CB LEU A 30 11.388 4.418 -11.350 1.00 0.00 C ATOM 447 CG LEU A 30 10.933 5.866 -11.161 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.826 6.580 -10.158 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.929 6.602 -12.493 1.00 0.00 C ATOM 0 H LEU A 30 12.988 5.911 -12.486 1.00 0.00 H new ATOM 0 HA LEU A 30 13.248 4.275 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.011 4.062 -12.309 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.921 3.807 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 30 9.916 5.859 -10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.487 7.609 -10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.778 6.066 -9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.854 6.577 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.603 7.631 -12.339 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.935 6.599 -12.913 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.247 6.104 -13.182 1.00 0.00 H new ATOM 461 N GLU A 31 13.393 2.626 -13.104 1.00 0.00 N ATOM 462 CA GLU A 31 13.702 1.330 -13.696 1.00 0.00 C ATOM 463 C GLU A 31 14.958 0.731 -13.068 1.00 0.00 C ATOM 464 O GLU A 31 15.141 -0.485 -13.061 1.00 0.00 O ATOM 465 CB GLU A 31 13.891 1.467 -15.208 1.00 0.00 C ATOM 466 CG GLU A 31 14.393 0.198 -15.876 1.00 0.00 C ATOM 467 CD GLU A 31 13.473 -0.985 -15.647 1.00 0.00 C ATOM 468 OE1 GLU A 31 13.390 -1.459 -14.495 1.00 0.00 O ATOM 469 OE2 GLU A 31 12.835 -1.437 -16.621 1.00 0.00 O ATOM 0 H GLU A 31 13.329 3.392 -13.775 1.00 0.00 H new ATOM 0 HA GLU A 31 12.864 0.661 -13.501 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.942 1.754 -15.660 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.595 2.275 -15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.495 0.372 -16.947 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.386 -0.040 -15.495 1.00 0.00 H new ATOM 476 N ASN A 32 15.819 1.595 -12.542 1.00 0.00 N ATOM 477 CA ASN A 32 17.058 1.153 -11.912 1.00 0.00 C ATOM 478 C ASN A 32 17.069 1.505 -10.427 1.00 0.00 C ATOM 479 O ASN A 32 18.122 1.520 -9.790 1.00 0.00 O ATOM 480 CB ASN A 32 18.264 1.788 -12.607 1.00 0.00 C ATOM 481 CG ASN A 32 18.358 1.401 -14.070 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.737 0.278 -14.403 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.012 2.331 -14.952 1.00 0.00 N ATOM 0 H ASN A 32 15.682 2.606 -12.539 1.00 0.00 H new ATOM 0 HA ASN A 32 17.120 0.069 -12.011 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.198 2.873 -12.525 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.177 1.484 -12.094 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.055 2.128 -15.951 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.704 3.249 -14.631 1.00 0.00 H new ATOM 490 N ALA A 33 15.890 1.786 -9.883 1.00 0.00 N ATOM 491 CA ALA A 33 15.763 2.135 -8.473 1.00 0.00 C ATOM 492 C ALA A 33 16.433 3.472 -8.176 1.00 0.00 C ATOM 493 O ALA A 33 17.200 3.594 -7.222 1.00 0.00 O ATOM 494 CB ALA A 33 16.360 1.039 -7.603 1.00 0.00 C ATOM 0 H ALA A 33 15.009 1.779 -10.397 1.00 0.00 H new ATOM 0 HA ALA A 33 14.702 2.231 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.259 1.312 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.834 0.102 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.416 0.916 -7.846 1.00 0.00 H new ATOM 500 N MET A 34 16.138 4.472 -9.000 1.00 0.00 N ATOM 501 CA MET A 34 16.713 5.801 -8.825 1.00 0.00 C ATOM 502 C MET A 34 15.617 6.853 -8.681 1.00 0.00 C ATOM 503 O MET A 34 15.619 7.882 -9.357 1.00 0.00 O ATOM 504 CB MET A 34 17.617 6.149 -10.009 1.00 0.00 C ATOM 505 CG MET A 34 18.640 5.071 -10.329 1.00 0.00 C ATOM 506 SD MET A 34 20.155 5.741 -11.041 1.00 0.00 S ATOM 507 CE MET A 34 19.737 5.749 -12.782 1.00 0.00 C ATOM 0 H MET A 34 15.505 4.388 -9.795 1.00 0.00 H new ATOM 0 HA MET A 34 17.308 5.794 -7.912 1.00 0.00 H new ATOM 0 HB2 MET A 34 16.998 6.324 -10.889 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.139 7.082 -9.796 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.882 4.524 -9.418 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.202 4.355 -11.024 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.427 6.400 -13.319 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.810 4.736 -13.178 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.719 6.116 -12.910 1.00 0.00 H new ATOM 517 N PRO A 35 14.659 6.591 -7.780 1.00 0.00 N ATOM 518 CA PRO A 35 13.539 7.503 -7.527 1.00 0.00 C ATOM 519 C PRO A 35 13.982 8.784 -6.829 1.00 0.00 C ATOM 520 O PRO A 35 13.196 9.717 -6.669 1.00 0.00 O ATOM 521 CB PRO A 35 12.617 6.689 -6.617 1.00 0.00 C ATOM 522 CG PRO A 35 13.517 5.712 -5.942 1.00 0.00 C ATOM 523 CD PRO A 35 14.594 5.384 -6.939 1.00 0.00 C ATOM 0 HA PRO A 35 13.065 7.833 -8.451 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.111 7.327 -5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.841 6.182 -7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.943 6.137 -5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.970 4.816 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.547 5.183 -6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.344 4.499 -7.524 1.00 0.00 H new ATOM 531 N GLU A 36 15.245 8.822 -6.416 1.00 0.00 N ATOM 532 CA GLU A 36 15.790 9.989 -5.734 1.00 0.00 C ATOM 533 C GLU A 36 16.184 11.071 -6.736 1.00 0.00 C ATOM 534 O GLU A 36 16.212 12.257 -6.407 1.00 0.00 O ATOM 535 CB GLU A 36 17.003 9.594 -4.889 1.00 0.00 C ATOM 536 CG GLU A 36 17.952 8.641 -5.597 1.00 0.00 C ATOM 537 CD GLU A 36 17.579 7.186 -5.390 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.547 6.924 -4.738 1.00 0.00 O ATOM 539 OE2 GLU A 36 18.320 6.309 -5.882 1.00 0.00 O ATOM 0 H GLU A 36 15.909 8.058 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 36 15.016 10.389 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.549 10.495 -4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.657 9.130 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.955 8.863 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.966 8.807 -5.234 1.00 0.00 H new ATOM 546 N TYR A 37 16.489 10.652 -7.959 1.00 0.00 N ATOM 547 CA TYR A 37 16.885 11.583 -9.009 1.00 0.00 C ATOM 548 C TYR A 37 15.689 11.973 -9.871 1.00 0.00 C ATOM 549 O TYR A 37 15.768 12.898 -10.680 1.00 0.00 O ATOM 550 CB TYR A 37 17.978 10.964 -9.883 1.00 0.00 C ATOM 551 CG TYR A 37 19.303 10.805 -9.173 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.062 11.914 -8.819 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.797 9.546 -8.856 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.274 11.774 -8.171 1.00 0.00 C ATOM 555 CE2 TYR A 37 21.007 9.396 -8.206 1.00 0.00 C ATOM 556 CZ TYR A 37 21.742 10.512 -7.867 1.00 0.00 C ATOM 557 OH TYR A 37 22.948 10.368 -7.220 1.00 0.00 O ATOM 0 H TYR A 37 16.470 9.674 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 37 17.275 12.483 -8.533 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.643 9.987 -10.232 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.121 11.586 -10.766 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.698 12.903 -9.055 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.225 8.669 -9.122 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.852 12.647 -7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.375 8.410 -7.965 1.00 0.00 H new ATOM 0 HH TYR A 37 22.863 10.682 -6.296 1.00 0.00 H new ATOM 567 N CYS A 38 14.582 11.262 -9.691 1.00 0.00 N ATOM 568 CA CYS A 38 13.367 11.532 -10.452 1.00 0.00 C ATOM 569 C CYS A 38 12.867 12.950 -10.193 1.00 0.00 C ATOM 570 O CYS A 38 12.378 13.621 -11.101 1.00 0.00 O ATOM 571 CB CYS A 38 12.278 10.520 -10.091 1.00 0.00 C ATOM 572 SG CYS A 38 11.099 10.198 -11.424 1.00 0.00 S ATOM 0 H CYS A 38 14.500 10.494 -9.025 1.00 0.00 H new ATOM 0 HA CYS A 38 13.603 11.437 -11.512 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.751 9.581 -9.804 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.734 10.883 -9.219 1.00 0.00 H new ATOM 0 HG CYS A 38 10.219 9.329 -11.024 1.00 0.00 H new ATOM 578 N GLU A 39 12.993 13.397 -8.948 1.00 0.00 N ATOM 579 CA GLU A 39 12.552 14.735 -8.570 1.00 0.00 C ATOM 580 C GLU A 39 13.306 15.800 -9.361 1.00 0.00 C ATOM 581 O GLU A 39 12.717 16.610 -10.077 1.00 0.00 O ATOM 582 CB GLU A 39 12.756 14.958 -7.070 1.00 0.00 C ATOM 583 CG GLU A 39 11.527 14.639 -6.234 1.00 0.00 C ATOM 584 CD GLU A 39 11.836 14.554 -4.752 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.710 13.747 -4.373 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.203 15.296 -3.972 1.00 0.00 O ATOM 0 H GLU A 39 13.396 12.854 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 39 11.490 14.819 -8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.587 14.341 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.040 15.997 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.770 15.406 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.101 13.693 -6.567 1.00 0.00 H new ATOM 593 N PRO A 40 14.641 15.801 -9.228 1.00 0.00 N ATOM 594 CA PRO A 40 15.505 16.760 -9.923 1.00 0.00 C ATOM 595 C PRO A 40 15.556 16.512 -11.426 1.00 0.00 C ATOM 596 O PRO A 40 15.927 17.395 -12.200 1.00 0.00 O ATOM 597 CB PRO A 40 16.879 16.520 -9.293 1.00 0.00 C ATOM 598 CG PRO A 40 16.833 15.112 -8.808 1.00 0.00 C ATOM 599 CD PRO A 40 15.409 14.865 -8.391 1.00 0.00 C ATOM 0 HA PRO A 40 15.146 17.784 -9.817 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.678 16.662 -10.020 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.066 17.215 -8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.136 14.419 -9.593 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.516 14.965 -7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.112 13.831 -8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.261 15.062 -7.329 1.00 0.00 H new ATOM 607 N LEU A 41 15.181 15.304 -11.834 1.00 0.00 N ATOM 608 CA LEU A 41 15.185 14.939 -13.247 1.00 0.00 C ATOM 609 C LEU A 41 13.764 14.880 -13.798 1.00 0.00 C ATOM 610 O LEU A 41 13.550 14.499 -14.948 1.00 0.00 O ATOM 611 CB LEU A 41 15.877 13.589 -13.443 1.00 0.00 C ATOM 612 CG LEU A 41 17.336 13.511 -12.993 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.841 12.078 -13.067 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.205 14.429 -13.840 1.00 0.00 C ATOM 0 H LEU A 41 14.871 14.561 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 41 15.735 15.705 -13.794 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.310 12.831 -12.903 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.829 13.329 -14.500 1.00 0.00 H new ATOM 0 HG LEU A 41 17.395 13.843 -11.956 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.881 12.042 -12.743 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.236 11.445 -12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.768 11.719 -14.094 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.240 14.361 -13.506 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.141 14.128 -14.886 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.857 15.457 -13.736 1.00 0.00 H new ATOM 626 N GLU A 42 12.797 15.262 -12.969 1.00 0.00 N ATOM 627 CA GLU A 42 11.396 15.253 -13.375 1.00 0.00 C ATOM 628 C GLU A 42 11.208 15.992 -14.697 1.00 0.00 C ATOM 629 O GLU A 42 10.566 15.486 -15.618 1.00 0.00 O ATOM 630 CB GLU A 42 10.524 15.892 -12.292 1.00 0.00 C ATOM 631 CG GLU A 42 10.739 17.389 -12.143 1.00 0.00 C ATOM 632 CD GLU A 42 9.981 17.973 -10.967 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.405 17.189 -10.184 1.00 0.00 O ATOM 634 OE2 GLU A 42 9.965 19.214 -10.829 1.00 0.00 O ATOM 0 H GLU A 42 12.958 15.581 -12.014 1.00 0.00 H new ATOM 0 HA GLU A 42 11.090 14.216 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.476 15.705 -12.524 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.730 15.407 -11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.803 17.589 -12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.424 17.890 -13.058 1.00 0.00 H new ATOM 641 N HIS A 43 11.773 17.192 -14.783 1.00 0.00 N ATOM 642 CA HIS A 43 11.668 18.002 -15.992 1.00 0.00 C ATOM 643 C HIS A 43 12.967 17.957 -16.790 1.00 0.00 C ATOM 644 O HIS A 43 13.296 18.898 -17.512 1.00 0.00 O ATOM 645 CB HIS A 43 11.325 19.448 -15.634 1.00 0.00 C ATOM 646 CG HIS A 43 12.410 20.152 -14.880 1.00 0.00 C ATOM 647 ND1 HIS A 43 12.885 19.961 -13.627 1.00 0.00 N flip ATOM 648 CD2 HIS A 43 13.143 21.192 -15.411 1.00 0.00 C flip ATOM 649 CE1 HIS A 43 13.887 20.879 -13.427 1.00 0.00 C flip ATOM 650 NE2 HIS A 43 14.023 21.609 -14.519 1.00 0.00 N flip ATOM 0 H HIS A 43 12.308 17.625 -14.030 1.00 0.00 H new ATOM 0 HA HIS A 43 10.869 17.589 -16.608 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.113 20.000 -16.550 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.413 19.459 -15.037 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.017 21.602 -16.402 1.00 0.00 H new ATOM 0 HE1 HIS A 43 14.469 20.986 -12.524 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.694 22.366 -14.651 1.00 0.00 H new ATOM 658 N PHE A 44 13.702 16.858 -16.654 1.00 0.00 N ATOM 659 CA PHE A 44 14.966 16.692 -17.361 1.00 0.00 C ATOM 660 C PHE A 44 14.777 15.861 -18.627 1.00 0.00 C ATOM 661 O PHE A 44 13.979 14.924 -18.655 1.00 0.00 O ATOM 662 CB PHE A 44 16.000 16.026 -16.451 1.00 0.00 C ATOM 663 CG PHE A 44 16.828 17.005 -15.668 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.222 17.965 -14.874 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.212 16.964 -15.725 1.00 0.00 C ATOM 666 CE1 PHE A 44 16.982 18.868 -14.153 1.00 0.00 C ATOM 667 CE2 PHE A 44 18.976 17.864 -15.007 1.00 0.00 C ATOM 668 CZ PHE A 44 18.360 18.816 -14.218 1.00 0.00 C ATOM 0 H PHE A 44 13.444 16.069 -16.061 1.00 0.00 H new ATOM 0 HA PHE A 44 15.326 17.681 -17.647 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.487 15.360 -15.757 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.661 15.407 -17.057 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.144 18.009 -14.817 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.699 16.220 -16.338 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.498 19.613 -13.540 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.054 17.823 -15.063 1.00 0.00 H new ATOM 0 HZ PHE A 44 18.955 19.518 -13.653 1.00 0.00 H new ATOM 678 N THR A 45 15.517 16.212 -19.674 1.00 0.00 N ATOM 679 CA THR A 45 15.430 15.501 -20.944 1.00 0.00 C ATOM 680 C THR A 45 16.678 14.662 -21.191 1.00 0.00 C ATOM 681 O THR A 45 17.782 15.044 -20.806 1.00 0.00 O ATOM 682 CB THR A 45 15.240 16.477 -22.121 1.00 0.00 C ATOM 683 OG1 THR A 45 16.106 17.607 -21.966 1.00 0.00 O ATOM 684 CG2 THR A 45 13.796 16.946 -22.207 1.00 0.00 C ATOM 0 H THR A 45 16.183 16.984 -19.668 1.00 0.00 H new ATOM 0 HA THR A 45 14.562 14.845 -20.881 1.00 0.00 H new ATOM 0 HB THR A 45 15.490 15.952 -23.043 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.980 18.221 -22.719 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.686 17.634 -23.045 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.142 16.086 -22.355 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.523 17.454 -21.282 1.00 0.00 H new ATOM 692 N GLY A 46 16.495 13.514 -21.837 1.00 0.00 N ATOM 693 CA GLY A 46 17.616 12.638 -22.124 1.00 0.00 C ATOM 694 C GLY A 46 18.902 13.402 -22.369 1.00 0.00 C ATOM 695 O GLY A 46 19.969 12.995 -21.910 1.00 0.00 O ATOM 0 H GLY A 46 15.591 13.175 -22.166 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.759 11.951 -21.290 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.385 12.032 -23.000 1.00 0.00 H new ATOM 699 N GLN A 47 18.800 14.511 -23.095 1.00 0.00 N ATOM 700 CA GLN A 47 19.966 15.331 -23.402 1.00 0.00 C ATOM 701 C GLN A 47 20.533 15.966 -22.136 1.00 0.00 C ATOM 702 O GLN A 47 21.732 15.879 -21.871 1.00 0.00 O ATOM 703 CB GLN A 47 19.597 16.420 -24.411 1.00 0.00 C ATOM 704 CG GLN A 47 20.782 17.261 -24.858 1.00 0.00 C ATOM 705 CD GLN A 47 21.544 16.632 -26.008 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.089 16.651 -27.153 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.709 16.070 -25.710 1.00 0.00 N ATOM 0 H GLN A 47 17.923 14.862 -23.481 1.00 0.00 H new ATOM 0 HA GLN A 47 20.729 14.686 -23.836 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.142 15.955 -25.285 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.844 17.073 -23.969 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.430 18.248 -25.157 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.458 17.406 -24.015 1.00 0.00 H new ATOM 0 HE21 GLN A 47 23.048 16.077 -24.748 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.266 15.631 -26.443 1.00 0.00 H new ATOM 716 N ASP A 48 19.665 16.603 -21.359 1.00 0.00 N ATOM 717 CA ASP A 48 20.079 17.251 -20.120 1.00 0.00 C ATOM 718 C ASP A 48 20.581 16.223 -19.111 1.00 0.00 C ATOM 719 O ASP A 48 21.563 16.458 -18.406 1.00 0.00 O ATOM 720 CB ASP A 48 18.918 18.047 -19.522 1.00 0.00 C ATOM 721 CG ASP A 48 18.705 19.375 -20.222 1.00 0.00 C ATOM 722 OD1 ASP A 48 18.825 19.417 -21.464 1.00 0.00 O ATOM 723 OD2 ASP A 48 18.420 20.373 -19.527 1.00 0.00 O ATOM 0 H ASP A 48 18.669 16.685 -21.565 1.00 0.00 H new ATOM 0 HA ASP A 48 20.896 17.935 -20.352 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.005 17.455 -19.586 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.110 18.224 -18.464 1.00 0.00 H new ATOM 728 N LEU A 49 19.900 15.085 -19.046 1.00 0.00 N ATOM 729 CA LEU A 49 20.276 14.020 -18.122 1.00 0.00 C ATOM 730 C LEU A 49 21.702 13.549 -18.386 1.00 0.00 C ATOM 731 O LEU A 49 22.515 13.455 -17.466 1.00 0.00 O ATOM 732 CB LEU A 49 19.306 12.843 -18.248 1.00 0.00 C ATOM 733 CG LEU A 49 19.746 11.538 -17.585 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.539 10.762 -17.079 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.556 10.692 -18.556 1.00 0.00 C ATOM 0 H LEU A 49 19.085 14.875 -19.622 1.00 0.00 H new ATOM 0 HA LEU A 49 20.226 14.417 -17.108 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.348 13.140 -17.820 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.136 12.650 -19.307 1.00 0.00 H new ATOM 0 HG LEU A 49 20.379 11.783 -16.732 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.872 9.836 -16.610 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.999 11.365 -16.349 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.880 10.529 -17.915 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.860 9.767 -18.066 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.947 10.457 -19.429 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.441 11.245 -18.869 1.00 0.00 H new ATOM 747 N ILE A 50 21.999 13.255 -19.648 1.00 0.00 N ATOM 748 CA ILE A 50 23.328 12.798 -20.033 1.00 0.00 C ATOM 749 C ILE A 50 24.368 13.895 -19.828 1.00 0.00 C ATOM 750 O ILE A 50 25.559 13.619 -19.695 1.00 0.00 O ATOM 751 CB ILE A 50 23.363 12.342 -21.503 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.182 13.541 -22.436 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.287 11.297 -21.759 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.881 13.381 -23.768 1.00 0.00 C ATOM 0 H ILE A 50 21.337 13.325 -20.421 1.00 0.00 H new ATOM 0 HA ILE A 50 23.567 11.949 -19.392 1.00 0.00 H new ATOM 0 HB ILE A 50 24.335 11.892 -21.706 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.118 13.698 -22.610 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.560 14.436 -21.942 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.324 10.984 -22.803 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.457 10.434 -21.115 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.307 11.723 -21.543 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.710 14.268 -24.378 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.951 13.254 -23.604 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.486 12.505 -24.283 1.00 0.00 H new ATOM 766 N ASN A 51 23.907 15.142 -19.802 1.00 0.00 N ATOM 767 CA ASN A 51 24.797 16.282 -19.613 1.00 0.00 C ATOM 768 C ASN A 51 25.098 16.497 -18.133 1.00 0.00 C ATOM 769 O ASN A 51 25.591 17.553 -17.736 1.00 0.00 O ATOM 770 CB ASN A 51 24.173 17.546 -20.207 1.00 0.00 C ATOM 771 CG ASN A 51 24.354 17.629 -21.710 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.398 17.251 -22.243 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.335 18.126 -22.402 1.00 0.00 N ATOM 0 H ASN A 51 22.923 15.388 -19.909 1.00 0.00 H new ATOM 0 HA ASN A 51 25.733 16.070 -20.129 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.109 17.568 -19.970 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.622 18.423 -19.741 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.399 18.207 -23.417 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.489 18.427 -21.919 1.00 0.00 H new ATOM 780 N LEU A 52 24.800 15.488 -17.322 1.00 0.00 N ATOM 781 CA LEU A 52 25.040 15.566 -15.885 1.00 0.00 C ATOM 782 C LEU A 52 26.445 15.083 -15.541 1.00 0.00 C ATOM 783 O LEU A 52 26.895 14.046 -16.031 1.00 0.00 O ATOM 784 CB LEU A 52 24.003 14.733 -15.129 1.00 0.00 C ATOM 785 CG LEU A 52 22.579 15.292 -15.109 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.698 14.473 -14.179 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.586 16.754 -14.690 1.00 0.00 C ATOM 0 H LEU A 52 24.392 14.607 -17.634 1.00 0.00 H new ATOM 0 HA LEU A 52 24.950 16.609 -15.582 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.975 13.737 -15.570 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.341 14.616 -14.099 1.00 0.00 H new ATOM 0 HG LEU A 52 22.169 15.226 -16.117 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.689 14.885 -14.177 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.667 13.439 -14.523 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.105 14.507 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.565 17.135 -14.681 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.015 16.844 -13.692 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.183 17.332 -15.396 1.00 0.00 H new ATOM 799 N THR A 53 27.134 15.840 -14.692 1.00 0.00 N ATOM 800 CA THR A 53 28.488 15.488 -14.281 1.00 0.00 C ATOM 801 C THR A 53 28.651 15.609 -12.770 1.00 0.00 C ATOM 802 O THR A 53 27.809 16.194 -12.091 1.00 0.00 O ATOM 803 CB THR A 53 29.535 16.382 -14.972 1.00 0.00 C ATOM 804 OG1 THR A 53 29.518 17.692 -14.395 1.00 0.00 O ATOM 805 CG2 THR A 53 29.264 16.476 -16.466 1.00 0.00 C ATOM 0 H THR A 53 26.777 16.700 -14.276 1.00 0.00 H new ATOM 0 HA THR A 53 28.651 14.453 -14.580 1.00 0.00 H new ATOM 0 HB THR A 53 30.518 15.934 -14.825 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.030 18.306 -14.962 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.016 17.112 -16.933 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.307 15.480 -16.907 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.275 16.903 -16.630 1.00 0.00 H new ATOM 813 N GLN A 54 29.741 15.052 -12.251 1.00 0.00 N ATOM 814 CA GLN A 54 30.014 15.098 -10.820 1.00 0.00 C ATOM 815 C GLN A 54 29.886 16.521 -10.286 1.00 0.00 C ATOM 816 O GLN A 54 29.452 16.732 -9.154 1.00 0.00 O ATOM 817 CB GLN A 54 31.415 14.556 -10.529 1.00 0.00 C ATOM 818 CG GLN A 54 31.579 14.023 -9.115 1.00 0.00 C ATOM 819 CD GLN A 54 32.629 12.933 -9.020 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.827 13.200 -9.115 1.00 0.00 O ATOM 821 NE2 GLN A 54 32.183 11.697 -8.831 1.00 0.00 N ATOM 0 H GLN A 54 30.449 14.564 -12.800 1.00 0.00 H new ATOM 0 HA GLN A 54 29.278 14.473 -10.315 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.642 13.759 -11.237 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.144 15.349 -10.697 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.851 14.843 -8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.623 13.633 -8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 54 31.181 11.522 -8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 54 32.843 10.922 -8.759 1.00 0.00 H new ATOM 830 N GLU A 55 30.266 17.493 -11.109 1.00 0.00 N ATOM 831 CA GLU A 55 30.193 18.896 -10.719 1.00 0.00 C ATOM 832 C GLU A 55 28.744 19.325 -10.501 1.00 0.00 C ATOM 833 O GLU A 55 28.455 20.157 -9.641 1.00 0.00 O ATOM 834 CB GLU A 55 30.843 19.780 -11.785 1.00 0.00 C ATOM 835 CG GLU A 55 29.875 20.256 -12.855 1.00 0.00 C ATOM 836 CD GLU A 55 30.572 20.630 -14.148 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.343 21.613 -14.145 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.348 19.939 -15.164 1.00 0.00 O ATOM 0 H GLU A 55 30.627 17.335 -12.050 1.00 0.00 H new ATOM 0 HA GLU A 55 30.735 19.014 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.292 20.648 -11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.653 19.226 -12.260 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.145 19.471 -13.054 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.322 21.118 -12.482 1.00 0.00 H new ATOM 845 N ASP A 56 27.840 18.752 -11.287 1.00 0.00 N ATOM 846 CA ASP A 56 26.421 19.074 -11.181 1.00 0.00 C ATOM 847 C ASP A 56 25.859 18.616 -9.839 1.00 0.00 C ATOM 848 O ASP A 56 24.847 19.136 -9.368 1.00 0.00 O ATOM 849 CB ASP A 56 25.641 18.421 -12.324 1.00 0.00 C ATOM 850 CG ASP A 56 25.784 19.179 -13.629 1.00 0.00 C ATOM 851 OD1 ASP A 56 25.089 20.203 -13.800 1.00 0.00 O ATOM 852 OD2 ASP A 56 26.591 18.749 -14.479 1.00 0.00 O ATOM 0 H ASP A 56 28.064 18.062 -12.004 1.00 0.00 H new ATOM 0 HA ASP A 56 26.313 20.156 -11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.991 17.398 -12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.586 18.363 -12.054 1.00 0.00 H new ATOM 857 N PHE A 57 26.522 17.640 -9.227 1.00 0.00 N ATOM 858 CA PHE A 57 26.088 17.111 -7.939 1.00 0.00 C ATOM 859 C PHE A 57 26.460 18.064 -6.807 1.00 0.00 C ATOM 860 O PHE A 57 25.732 18.192 -5.823 1.00 0.00 O ATOM 861 CB PHE A 57 26.714 15.737 -7.691 1.00 0.00 C ATOM 862 CG PHE A 57 26.094 14.640 -8.508 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.467 14.446 -9.829 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.139 13.802 -7.956 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.898 13.437 -10.583 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.567 12.791 -8.705 1.00 0.00 C ATOM 867 CZ PHE A 57 24.947 12.608 -10.020 1.00 0.00 C ATOM 0 H PHE A 57 27.362 17.199 -9.602 1.00 0.00 H new ATOM 0 HA PHE A 57 25.003 17.009 -7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.780 15.787 -7.913 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.620 15.489 -6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.211 15.091 -10.274 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.838 13.940 -6.928 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.197 13.297 -11.611 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.824 12.145 -8.262 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.502 11.818 -10.607 1.00 0.00 H new ATOM 877 N LYS A 58 27.600 18.731 -6.954 1.00 0.00 N ATOM 878 CA LYS A 58 28.071 19.674 -5.946 1.00 0.00 C ATOM 879 C LYS A 58 27.046 20.779 -5.714 1.00 0.00 C ATOM 880 O LYS A 58 27.019 21.402 -4.652 1.00 0.00 O ATOM 881 CB LYS A 58 29.407 20.284 -6.374 1.00 0.00 C ATOM 882 CG LYS A 58 30.427 19.256 -6.833 1.00 0.00 C ATOM 883 CD LYS A 58 31.845 19.791 -6.727 1.00 0.00 C ATOM 884 CE LYS A 58 32.027 21.055 -7.554 1.00 0.00 C ATOM 885 NZ LYS A 58 33.378 21.652 -7.365 1.00 0.00 N ATOM 0 H LYS A 58 28.215 18.636 -7.762 1.00 0.00 H new ATOM 0 HA LYS A 58 28.210 19.130 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.230 20.994 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.823 20.848 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.332 18.353 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.220 18.973 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 58 32.079 20.001 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 58 32.548 19.030 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 58 31.876 20.824 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 58 31.266 21.784 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.462 22.511 -7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 33.513 21.896 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 34.104 20.966 -7.655 1.00 0.00 H new ATOM 899 N LYS A 59 26.203 21.017 -6.713 1.00 0.00 N ATOM 900 CA LYS A 59 25.173 22.045 -6.617 1.00 0.00 C ATOM 901 C LYS A 59 23.799 21.472 -6.950 1.00 0.00 C ATOM 902 O LYS A 59 23.674 20.402 -7.546 1.00 0.00 O ATOM 903 CB LYS A 59 25.495 23.207 -7.559 1.00 0.00 C ATOM 904 CG LYS A 59 26.335 22.804 -8.758 1.00 0.00 C ATOM 905 CD LYS A 59 26.358 23.894 -9.816 1.00 0.00 C ATOM 906 CE LYS A 59 26.800 23.352 -11.167 1.00 0.00 C ATOM 907 NZ LYS A 59 27.117 24.446 -12.126 1.00 0.00 N ATOM 0 H LYS A 59 26.213 20.512 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 59 25.155 22.411 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.562 23.647 -7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.022 23.981 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.353 22.589 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 59 25.937 21.885 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.365 24.335 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.033 24.691 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.678 22.719 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.012 22.723 -11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.414 24.036 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.273 25.035 -12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.886 25.032 -11.743 1.00 0.00 H new ATOM 921 N PRO A 60 22.743 22.200 -6.559 1.00 0.00 N ATOM 922 CA PRO A 60 21.359 21.784 -6.808 1.00 0.00 C ATOM 923 C PRO A 60 20.988 21.860 -8.285 1.00 0.00 C ATOM 924 O PRO A 60 21.683 22.476 -9.093 1.00 0.00 O ATOM 925 CB PRO A 60 20.536 22.789 -5.997 1.00 0.00 C ATOM 926 CG PRO A 60 21.404 23.995 -5.895 1.00 0.00 C ATOM 927 CD PRO A 60 22.818 23.485 -5.844 1.00 0.00 C ATOM 0 HA PRO A 60 21.188 20.745 -6.525 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.593 23.021 -6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.289 22.395 -5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.258 24.654 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.165 24.573 -5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.511 24.174 -6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.161 23.354 -4.818 1.00 0.00 H new ATOM 935 N PRO A 61 19.866 21.220 -8.647 1.00 0.00 N ATOM 936 CA PRO A 61 19.033 20.482 -7.694 1.00 0.00 C ATOM 937 C PRO A 61 19.711 19.213 -7.191 1.00 0.00 C ATOM 938 O PRO A 61 19.562 18.835 -6.028 1.00 0.00 O ATOM 939 CB PRO A 61 17.785 20.135 -8.509 1.00 0.00 C ATOM 940 CG PRO A 61 18.248 20.123 -9.925 1.00 0.00 C ATOM 941 CD PRO A 61 19.326 21.167 -10.016 1.00 0.00 C ATOM 0 HA PRO A 61 18.825 21.066 -6.797 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.378 19.167 -8.217 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.996 20.871 -8.357 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.631 19.141 -10.202 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.427 20.349 -10.606 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.093 20.891 -10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.926 22.132 -10.328 1.00 0.00 H new ATOM 949 N LEU A 62 20.458 18.558 -8.073 1.00 0.00 N ATOM 950 CA LEU A 62 21.162 17.330 -7.719 1.00 0.00 C ATOM 951 C LEU A 62 22.207 17.595 -6.640 1.00 0.00 C ATOM 952 O LEU A 62 23.290 18.109 -6.922 1.00 0.00 O ATOM 953 CB LEU A 62 21.830 16.727 -8.955 1.00 0.00 C ATOM 954 CG LEU A 62 20.936 16.552 -10.183 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.754 16.672 -11.460 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.216 15.213 -10.133 1.00 0.00 C ATOM 0 H LEU A 62 20.592 18.857 -9.039 1.00 0.00 H new ATOM 0 HA LEU A 62 20.432 16.622 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.674 17.359 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.237 15.753 -8.685 1.00 0.00 H new ATOM 0 HG LEU A 62 20.187 17.344 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.101 16.545 -12.324 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.222 17.655 -11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.525 15.902 -11.472 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.585 15.106 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.949 14.406 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.598 15.165 -9.236 1.00 0.00 H new ATOM 968 N TYR A 63 21.877 17.237 -5.404 1.00 0.00 N ATOM 969 CA TYR A 63 22.787 17.436 -4.282 1.00 0.00 C ATOM 970 C TYR A 63 22.516 16.422 -3.175 1.00 0.00 C ATOM 971 O TYR A 63 21.374 16.232 -2.757 1.00 0.00 O ATOM 972 CB TYR A 63 22.650 18.856 -3.732 1.00 0.00 C ATOM 973 CG TYR A 63 23.626 19.172 -2.621 1.00 0.00 C ATOM 974 CD1 TYR A 63 24.937 19.535 -2.903 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.237 19.107 -1.288 1.00 0.00 C ATOM 976 CE1 TYR A 63 25.832 19.824 -1.892 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.125 19.395 -0.270 1.00 0.00 C ATOM 978 CZ TYR A 63 25.421 19.753 -0.577 1.00 0.00 C ATOM 979 OH TYR A 63 26.309 20.040 0.435 1.00 0.00 O ATOM 0 H TYR A 63 20.986 16.808 -5.154 1.00 0.00 H new ATOM 0 HA TYR A 63 23.805 17.290 -4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.795 19.567 -4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.634 18.997 -3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.262 19.592 -3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.223 18.826 -1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 63 26.848 20.104 -2.129 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.806 19.340 0.760 1.00 0.00 H new ATOM 0 HH TYR A 63 25.860 19.944 1.301 1.00 0.00 H new ATOM 989 N ARG A 64 23.576 15.773 -2.703 1.00 0.00 N ATOM 990 CA ARG A 64 23.454 14.776 -1.646 1.00 0.00 C ATOM 991 C ARG A 64 22.277 13.842 -1.913 1.00 0.00 C ATOM 992 O ARG A 64 21.640 13.348 -0.982 1.00 0.00 O ATOM 993 CB ARG A 64 23.278 15.461 -0.289 1.00 0.00 C ATOM 994 CG ARG A 64 24.352 16.493 0.016 1.00 0.00 C ATOM 995 CD ARG A 64 25.671 15.832 0.384 1.00 0.00 C ATOM 996 NE ARG A 64 25.629 15.227 1.712 1.00 0.00 N ATOM 997 CZ ARG A 64 26.534 14.361 2.154 1.00 0.00 C ATOM 998 NH1 ARG A 64 27.547 14.001 1.378 1.00 0.00 N ATOM 999 NH2 ARG A 64 26.428 13.853 3.376 1.00 0.00 N ATOM 0 H ARG A 64 24.529 15.920 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 64 24.369 14.184 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.302 15.945 -0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.281 14.703 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.496 17.137 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.022 17.131 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.912 15.068 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.470 16.573 0.348 1.00 0.00 H new ATOM 0 HE ARG A 64 24.863 15.483 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.633 14.389 0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 64 28.240 13.336 1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 64 25.651 14.128 3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 64 27.124 13.188 3.714 1.00 0.00 H new ATOM 1013 N VAL A 65 21.994 13.604 -3.189 1.00 0.00 N ATOM 1014 CA VAL A 65 20.896 12.729 -3.579 1.00 0.00 C ATOM 1015 C VAL A 65 21.209 11.274 -3.248 1.00 0.00 C ATOM 1016 O VAL A 65 20.313 10.490 -2.936 1.00 0.00 O ATOM 1017 CB VAL A 65 20.590 12.847 -5.084 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.303 12.112 -5.427 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.504 14.309 -5.496 1.00 0.00 C ATOM 0 H VAL A 65 22.511 14.006 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 65 20.021 13.048 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 65 21.404 12.383 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.103 12.207 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.406 11.058 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.476 12.544 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.287 14.374 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.710 14.799 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.454 14.802 -5.288 1.00 0.00 H new ATOM 1029 N SER A 66 22.488 10.919 -3.320 1.00 0.00 N ATOM 1030 CA SER A 66 22.921 9.556 -3.031 1.00 0.00 C ATOM 1031 C SER A 66 23.938 9.538 -1.894 1.00 0.00 C ATOM 1032 O SER A 66 24.288 10.582 -1.344 1.00 0.00 O ATOM 1033 CB SER A 66 23.525 8.915 -4.282 1.00 0.00 C ATOM 1034 OG SER A 66 24.076 7.643 -3.987 1.00 0.00 O ATOM 0 H SER A 66 23.243 11.556 -3.576 1.00 0.00 H new ATOM 0 HA SER A 66 22.048 8.981 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.757 8.813 -5.049 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.299 9.565 -4.690 1.00 0.00 H new ATOM 0 HG SER A 66 24.454 7.253 -4.803 1.00 0.00 H new ATOM 1040 N SER A 67 24.408 8.344 -1.548 1.00 0.00 N ATOM 1041 CA SER A 67 25.382 8.188 -0.474 1.00 0.00 C ATOM 1042 C SER A 67 26.786 7.993 -1.039 1.00 0.00 C ATOM 1043 O SER A 67 27.779 8.131 -0.325 1.00 0.00 O ATOM 1044 CB SER A 67 25.008 7.001 0.415 1.00 0.00 C ATOM 1045 OG SER A 67 25.656 7.081 1.672 1.00 0.00 O ATOM 0 H SER A 67 24.130 7.471 -1.996 1.00 0.00 H new ATOM 0 HA SER A 67 25.373 9.098 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.928 6.977 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 67 25.283 6.070 -0.081 1.00 0.00 H new ATOM 0 HG SER A 67 25.399 6.312 2.222 1.00 0.00 H new ATOM 1051 N ASP A 68 26.859 7.671 -2.326 1.00 0.00 N ATOM 1052 CA ASP A 68 28.140 7.457 -2.989 1.00 0.00 C ATOM 1053 C ASP A 68 28.564 8.701 -3.765 1.00 0.00 C ATOM 1054 O ASP A 68 29.175 8.602 -4.828 1.00 0.00 O ATOM 1055 CB ASP A 68 28.057 6.256 -3.932 1.00 0.00 C ATOM 1056 CG ASP A 68 27.551 5.008 -3.237 1.00 0.00 C ATOM 1057 OD1 ASP A 68 28.331 4.393 -2.481 1.00 0.00 O ATOM 1058 OD2 ASP A 68 26.374 4.646 -3.449 1.00 0.00 O ATOM 0 H ASP A 68 26.046 7.552 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 68 28.889 7.255 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 68 27.397 6.497 -4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.043 6.059 -4.353 1.00 0.00 H new ATOM 1063 N ASN A 69 28.235 9.870 -3.226 1.00 0.00 N ATOM 1064 CA ASN A 69 28.578 11.132 -3.869 1.00 0.00 C ATOM 1065 C ASN A 69 28.025 11.188 -5.290 1.00 0.00 C ATOM 1066 O ASN A 69 28.696 11.650 -6.211 1.00 0.00 O ATOM 1067 CB ASN A 69 30.097 11.319 -3.894 1.00 0.00 C ATOM 1068 CG ASN A 69 30.703 11.313 -2.503 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.082 11.765 -1.541 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.922 10.799 -2.392 1.00 0.00 N ATOM 0 H ASN A 69 27.731 9.969 -2.345 1.00 0.00 H new ATOM 0 HA ASN A 69 28.128 11.939 -3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.549 10.524 -4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.336 12.261 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 69 32.381 10.767 -1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 69 32.399 10.436 -3.217 1.00 0.00 H new ATOM 1077 N GLY A 70 26.794 10.713 -5.459 1.00 0.00 N ATOM 1078 CA GLY A 70 26.171 10.717 -6.769 1.00 0.00 C ATOM 1079 C GLY A 70 26.924 9.866 -7.772 1.00 0.00 C ATOM 1080 O GLY A 70 27.060 10.243 -8.936 1.00 0.00 O ATOM 0 H GLY A 70 26.218 10.326 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.148 10.351 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.113 11.741 -7.137 1.00 0.00 H new ATOM 1084 N GLN A 71 27.414 8.717 -7.321 1.00 0.00 N ATOM 1085 CA GLN A 71 28.160 7.812 -8.187 1.00 0.00 C ATOM 1086 C GLN A 71 27.215 6.918 -8.983 1.00 0.00 C ATOM 1087 O GLN A 71 27.234 6.918 -10.214 1.00 0.00 O ATOM 1088 CB GLN A 71 29.118 6.953 -7.360 1.00 0.00 C ATOM 1089 CG GLN A 71 29.881 5.927 -8.183 1.00 0.00 C ATOM 1090 CD GLN A 71 31.087 6.521 -8.883 1.00 0.00 C ATOM 1091 OE1 GLN A 71 31.759 7.403 -8.346 1.00 0.00 O ATOM 1092 NE2 GLN A 71 31.369 6.040 -10.088 1.00 0.00 N ATOM 0 H GLN A 71 27.308 8.390 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 71 28.738 8.415 -8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.831 7.604 -6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.552 6.436 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.206 5.115 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.212 5.492 -8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.785 5.309 -10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 71 32.169 6.401 -10.607 1.00 0.00 H new ATOM 1101 N ARG A 72 26.390 6.157 -8.272 1.00 0.00 N ATOM 1102 CA ARG A 72 25.439 5.256 -8.912 1.00 0.00 C ATOM 1103 C ARG A 72 24.892 5.867 -10.199 1.00 0.00 C ATOM 1104 O ARG A 72 24.999 5.276 -11.274 1.00 0.00 O ATOM 1105 CB ARG A 72 24.287 4.934 -7.958 1.00 0.00 C ATOM 1106 CG ARG A 72 23.327 3.884 -8.494 1.00 0.00 C ATOM 1107 CD ARG A 72 22.651 3.120 -7.367 1.00 0.00 C ATOM 1108 NE ARG A 72 23.527 2.101 -6.795 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.753 0.922 -7.364 1.00 0.00 C ATOM 1110 NH1 ARG A 72 23.170 0.615 -8.515 1.00 0.00 N ATOM 1111 NH2 ARG A 72 24.562 0.047 -6.782 1.00 0.00 N ATOM 0 H ARG A 72 26.361 6.146 -7.252 1.00 0.00 H new ATOM 0 HA ARG A 72 25.963 4.334 -9.162 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.698 4.588 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.732 5.849 -7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.570 4.364 -9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.869 3.187 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.348 3.818 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.743 2.648 -7.742 1.00 0.00 H new ATOM 0 HE ARG A 72 23.991 2.306 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.546 1.285 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.345 -0.291 -8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.012 0.279 -5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.735 -0.858 -7.220 1.00 0.00 H new ATOM 1125 N LEU A 73 24.306 7.054 -10.081 1.00 0.00 N ATOM 1126 CA LEU A 73 23.741 7.745 -11.235 1.00 0.00 C ATOM 1127 C LEU A 73 24.804 7.986 -12.301 1.00 0.00 C ATOM 1128 O LEU A 73 24.728 7.441 -13.403 1.00 0.00 O ATOM 1129 CB LEU A 73 23.124 9.077 -10.803 1.00 0.00 C ATOM 1130 CG LEU A 73 22.461 9.899 -11.909 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.468 9.047 -12.685 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.773 11.123 -11.324 1.00 0.00 C ATOM 0 H LEU A 73 24.210 7.557 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 73 22.963 7.112 -11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.381 8.877 -10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.904 9.684 -10.344 1.00 0.00 H new ATOM 0 HG LEU A 73 23.235 10.237 -12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.006 9.649 -13.468 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.988 8.202 -13.136 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.697 8.679 -12.008 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.307 11.696 -12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.010 10.806 -10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.509 11.745 -10.814 1.00 0.00 H new ATOM 1144 N LEU A 74 25.796 8.803 -11.966 1.00 0.00 N ATOM 1145 CA LEU A 74 26.878 9.115 -12.894 1.00 0.00 C ATOM 1146 C LEU A 74 27.272 7.884 -13.704 1.00 0.00 C ATOM 1147 O LEU A 74 27.512 7.971 -14.908 1.00 0.00 O ATOM 1148 CB LEU A 74 28.092 9.649 -12.133 1.00 0.00 C ATOM 1149 CG LEU A 74 28.049 11.131 -11.755 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.307 11.525 -10.998 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.879 11.993 -12.998 1.00 0.00 C ATOM 0 H LEU A 74 25.874 9.262 -11.058 1.00 0.00 H new ATOM 0 HA LEU A 74 26.523 9.882 -13.582 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.209 9.065 -11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.981 9.475 -12.739 1.00 0.00 H new ATOM 0 HG LEU A 74 27.191 11.296 -11.103 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.259 12.582 -10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.385 10.930 -10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.180 11.345 -11.625 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.850 13.044 -12.711 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.717 11.825 -13.675 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.948 11.729 -13.500 1.00 0.00 H new ATOM 1163 N ASP A 75 27.336 6.738 -13.035 1.00 0.00 N ATOM 1164 CA ASP A 75 27.698 5.488 -13.693 1.00 0.00 C ATOM 1165 C ASP A 75 26.585 5.025 -14.628 1.00 0.00 C ATOM 1166 O ASP A 75 26.846 4.571 -15.742 1.00 0.00 O ATOM 1167 CB ASP A 75 27.990 4.405 -12.653 1.00 0.00 C ATOM 1168 CG ASP A 75 29.012 3.396 -13.139 1.00 0.00 C ATOM 1169 OD1 ASP A 75 28.635 2.503 -13.925 1.00 0.00 O ATOM 1170 OD2 ASP A 75 30.188 3.500 -12.732 1.00 0.00 O ATOM 0 H ASP A 75 27.142 6.649 -12.038 1.00 0.00 H new ATOM 0 HA ASP A 75 28.596 5.664 -14.285 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.352 4.873 -11.738 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.064 3.888 -12.402 1.00 0.00 H new ATOM 1175 N MET A 76 25.344 5.141 -14.167 1.00 0.00 N ATOM 1176 CA MET A 76 24.192 4.735 -14.963 1.00 0.00 C ATOM 1177 C MET A 76 24.073 5.588 -16.222 1.00 0.00 C ATOM 1178 O MET A 76 23.607 5.117 -17.260 1.00 0.00 O ATOM 1179 CB MET A 76 22.910 4.843 -14.136 1.00 0.00 C ATOM 1180 CG MET A 76 22.753 3.734 -13.109 1.00 0.00 C ATOM 1181 SD MET A 76 22.873 2.090 -13.838 1.00 0.00 S ATOM 1182 CE MET A 76 21.570 2.168 -15.065 1.00 0.00 C ATOM 0 H MET A 76 25.111 5.513 -13.246 1.00 0.00 H new ATOM 0 HA MET A 76 24.336 3.697 -15.262 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.898 5.805 -13.624 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.052 4.829 -14.808 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.519 3.844 -12.342 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.788 3.838 -12.613 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.166 1.169 -15.231 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.776 2.826 -14.712 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.974 2.556 -16.000 1.00 0.00 H new ATOM 1192 N ILE A 77 24.496 6.843 -16.123 1.00 0.00 N ATOM 1193 CA ILE A 77 24.437 7.761 -17.254 1.00 0.00 C ATOM 1194 C ILE A 77 25.644 7.583 -18.170 1.00 0.00 C ATOM 1195 O ILE A 77 25.502 7.494 -19.389 1.00 0.00 O ATOM 1196 CB ILE A 77 24.373 9.227 -16.787 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.249 9.411 -15.766 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.172 10.153 -17.977 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.157 10.817 -15.215 1.00 0.00 C ATOM 0 H ILE A 77 24.884 7.248 -15.271 1.00 0.00 H new ATOM 0 HA ILE A 77 23.527 7.524 -17.805 1.00 0.00 H new ATOM 0 HB ILE A 77 25.318 9.482 -16.308 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.299 9.149 -16.232 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.401 8.715 -14.941 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.129 11.186 -17.631 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.004 10.038 -18.672 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.239 9.900 -18.481 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.338 10.874 -14.497 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.093 11.075 -14.719 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.973 11.516 -16.031 1.00 0.00 H new ATOM 1211 N GLU A 78 26.830 7.529 -17.572 1.00 0.00 N ATOM 1212 CA GLU A 78 28.061 7.359 -18.335 1.00 0.00 C ATOM 1213 C GLU A 78 27.830 6.465 -19.549 1.00 0.00 C ATOM 1214 O GLU A 78 28.252 6.785 -20.661 1.00 0.00 O ATOM 1215 CB GLU A 78 29.158 6.763 -17.450 1.00 0.00 C ATOM 1216 CG GLU A 78 30.563 7.158 -17.871 1.00 0.00 C ATOM 1217 CD GLU A 78 31.106 6.282 -18.984 1.00 0.00 C ATOM 1218 OE1 GLU A 78 30.958 5.046 -18.892 1.00 0.00 O ATOM 1219 OE2 GLU A 78 31.680 6.834 -19.946 1.00 0.00 O ATOM 0 H GLU A 78 26.964 7.600 -16.563 1.00 0.00 H new ATOM 0 HA GLU A 78 28.380 8.341 -18.684 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.994 7.080 -16.420 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.075 5.676 -17.466 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.561 8.197 -18.200 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.227 7.097 -17.009 1.00 0.00 H new ATOM 1226 N THR A 79 27.157 5.339 -19.329 1.00 0.00 N ATOM 1227 CA THR A 79 26.871 4.397 -20.403 1.00 0.00 C ATOM 1228 C THR A 79 25.919 5.004 -21.427 1.00 0.00 C ATOM 1229 O THR A 79 26.102 4.838 -22.634 1.00 0.00 O ATOM 1230 CB THR A 79 26.256 3.094 -19.858 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.456 2.029 -20.794 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.769 3.268 -19.590 1.00 0.00 C ATOM 0 H THR A 79 26.800 5.058 -18.416 1.00 0.00 H new ATOM 0 HA THR A 79 27.822 4.168 -20.885 1.00 0.00 H new ATOM 0 HB THR A 79 26.752 2.849 -18.919 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.064 1.204 -20.440 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.357 2.335 -19.206 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.622 4.059 -18.855 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.261 3.535 -20.517 1.00 0.00 H new ATOM 1240 N LEU A 80 24.905 5.710 -20.940 1.00 0.00 N ATOM 1241 CA LEU A 80 23.924 6.343 -21.815 1.00 0.00 C ATOM 1242 C LEU A 80 24.611 7.207 -22.868 1.00 0.00 C ATOM 1243 O LEU A 80 24.033 7.510 -23.912 1.00 0.00 O ATOM 1244 CB LEU A 80 22.954 7.195 -20.994 1.00 0.00 C ATOM 1245 CG LEU A 80 22.101 6.443 -19.971 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.932 7.303 -19.517 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.603 5.129 -20.555 1.00 0.00 C ATOM 0 H LEU A 80 24.740 5.859 -19.944 1.00 0.00 H new ATOM 0 HA LEU A 80 23.367 5.557 -22.324 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.528 7.958 -20.468 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.287 7.715 -21.682 1.00 0.00 H new ATOM 0 HG LEU A 80 22.721 6.220 -19.103 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.336 6.752 -18.789 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.309 8.217 -19.059 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.312 7.557 -20.377 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.998 4.607 -19.813 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.999 5.330 -21.440 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.455 4.507 -20.831 1.00 0.00 H new ATOM 1259 N LYS A 81 25.849 7.599 -22.588 1.00 0.00 N ATOM 1260 CA LYS A 81 26.617 8.426 -23.511 1.00 0.00 C ATOM 1261 C LYS A 81 27.405 7.561 -24.490 1.00 0.00 C ATOM 1262 O LYS A 81 27.237 7.672 -25.704 1.00 0.00 O ATOM 1263 CB LYS A 81 27.572 9.338 -22.737 1.00 0.00 C ATOM 1264 CG LYS A 81 26.898 10.566 -22.149 1.00 0.00 C ATOM 1265 CD LYS A 81 26.443 10.321 -20.720 1.00 0.00 C ATOM 1266 CE LYS A 81 27.517 10.713 -19.718 1.00 0.00 C ATOM 1267 NZ LYS A 81 27.079 10.478 -18.314 1.00 0.00 N ATOM 0 H LYS A 81 26.342 7.357 -21.729 1.00 0.00 H new ATOM 0 HA LYS A 81 25.917 9.040 -24.078 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.034 8.767 -21.932 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.374 9.658 -23.402 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.590 11.408 -22.172 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.040 10.841 -22.763 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.535 10.891 -20.523 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.192 9.268 -20.593 1.00 0.00 H new ATOM 0 HE2 LYS A 81 28.424 10.142 -19.916 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.768 11.766 -19.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 27.912 10.309 -17.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 26.566 11.313 -17.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 26.453 9.648 -18.280 1.00 0.00 H new ATOM 1281 N MET A 82 28.262 6.699 -23.953 1.00 0.00 N ATOM 1282 CA MET A 82 29.074 5.814 -24.780 1.00 0.00 C ATOM 1283 C MET A 82 28.281 5.316 -25.984 1.00 0.00 C ATOM 1284 O MET A 82 28.819 5.191 -27.084 1.00 0.00 O ATOM 1285 CB MET A 82 29.573 4.626 -23.956 1.00 0.00 C ATOM 1286 CG MET A 82 28.650 3.419 -24.010 1.00 0.00 C ATOM 1287 SD MET A 82 29.373 1.957 -23.243 1.00 0.00 S ATOM 1288 CE MET A 82 30.171 2.683 -21.814 1.00 0.00 C ATOM 0 H MET A 82 28.412 6.594 -22.950 1.00 0.00 H new ATOM 0 HA MET A 82 29.932 6.381 -25.142 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.560 4.335 -24.315 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.690 4.938 -22.918 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.712 3.661 -23.510 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.409 3.197 -25.050 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.335 1.914 -21.059 1.00 0.00 H new ATOM 0 HE2 MET A 82 31.129 3.111 -22.110 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.536 3.467 -21.401 1.00 0.00 H new