USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 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= 0.346 K(o=0.21,f=-0.85) USER MOD Set 1.2: A 76 MET CE :methyl -151:sc= -0.138 (180deg=-0.401) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= -0.0412 (180deg=-0.338) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 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 154:sc= -1.31 (180deg=-1.72!) USER MOD Single : A 37 TYR OH : rot -166:sc= -2.62 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.475 USER MOD Single : A 43 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.62) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.26) USER MOD Single : A 51 ASN : amide:sc= -0.648 K(o=-0.65,f=-1.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.932 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.0868 (180deg=-0.0868) USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= -2.15! (180deg=-4.31!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.253 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.045 F(o=-0.91,f=-0.045) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= -0.24 (180deg=-1.18!) USER MOD Single : A 82 MET CE :methyl 167:sc= -1.68 (180deg=-2.26!) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.581 5.064 -28.643 1.00 0.00 N ATOM 179 CA LYS A 15 21.643 5.646 -29.456 1.00 0.00 C ATOM 180 C LYS A 15 21.657 7.166 -29.325 1.00 0.00 C ATOM 181 O LYS A 15 22.687 7.806 -29.535 1.00 0.00 O ATOM 182 CB LYS A 15 21.463 5.252 -30.924 1.00 0.00 C ATOM 183 CG LYS A 15 22.195 3.977 -31.305 1.00 0.00 C ATOM 184 CD LYS A 15 21.316 2.752 -31.119 1.00 0.00 C ATOM 185 CE LYS A 15 22.002 1.491 -31.622 1.00 0.00 C ATOM 186 NZ LYS A 15 23.399 1.381 -31.120 1.00 0.00 N ATOM 0 HA LYS A 15 22.596 5.259 -29.096 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.400 5.126 -31.130 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.816 6.067 -31.556 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.519 4.039 -32.344 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.094 3.877 -30.696 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.070 2.637 -30.063 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.376 2.893 -31.652 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.433 0.617 -31.305 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.007 1.491 -32.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.762 0.425 -31.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.997 2.082 -31.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.415 1.559 -30.095 1.00 0.00 H new ATOM 200 N GLU A 16 20.508 7.736 -28.976 1.00 0.00 N ATOM 201 CA GLU A 16 20.391 9.181 -28.817 1.00 0.00 C ATOM 202 C GLU A 16 20.182 9.552 -27.352 1.00 0.00 C ATOM 203 O GLU A 16 20.902 10.384 -26.801 1.00 0.00 O ATOM 204 CB GLU A 16 19.232 9.717 -29.661 1.00 0.00 C ATOM 205 CG GLU A 16 18.131 8.698 -29.900 1.00 0.00 C ATOM 206 CD GLU A 16 16.978 9.263 -30.706 1.00 0.00 C ATOM 207 OE1 GLU A 16 17.036 9.194 -31.952 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.018 9.774 -30.092 1.00 0.00 O ATOM 0 H GLU A 16 19.646 7.220 -28.798 1.00 0.00 H new ATOM 0 HA GLU A 16 21.321 9.635 -29.160 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.806 10.590 -29.166 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.619 10.053 -30.623 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.546 7.836 -30.422 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.758 8.340 -28.940 1.00 0.00 H new ATOM 215 N VAL A 17 19.189 8.928 -26.725 1.00 0.00 N ATOM 216 CA VAL A 17 18.884 9.190 -25.324 1.00 0.00 C ATOM 217 C VAL A 17 19.018 10.674 -25.001 1.00 0.00 C ATOM 218 O VAL A 17 19.255 11.052 -23.854 1.00 0.00 O ATOM 219 CB VAL A 17 19.808 8.388 -24.389 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.195 9.012 -24.343 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.208 8.300 -22.994 1.00 0.00 C ATOM 0 H VAL A 17 18.582 8.237 -27.166 1.00 0.00 H new ATOM 0 HA VAL A 17 17.853 8.877 -25.161 1.00 0.00 H new ATOM 0 HB VAL A 17 19.904 7.376 -24.783 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.833 8.431 -23.677 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.625 9.017 -25.345 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.122 10.035 -23.974 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.874 7.730 -22.347 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.080 9.304 -22.589 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.239 7.803 -23.045 1.00 0.00 H new ATOM 231 N VAL A 18 18.863 11.512 -26.021 1.00 0.00 N ATOM 232 CA VAL A 18 18.964 12.956 -25.846 1.00 0.00 C ATOM 233 C VAL A 18 17.637 13.641 -26.152 1.00 0.00 C ATOM 234 O VAL A 18 17.231 14.571 -25.455 1.00 0.00 O ATOM 235 CB VAL A 18 20.059 13.555 -26.749 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.439 13.138 -26.265 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.843 13.137 -28.196 1.00 0.00 C ATOM 0 H VAL A 18 18.667 11.216 -26.977 1.00 0.00 H new ATOM 0 HA VAL A 18 19.227 13.131 -24.803 1.00 0.00 H new ATOM 0 HB VAL A 18 19.996 14.642 -26.695 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.199 13.571 -26.916 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.589 13.493 -25.245 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.519 12.051 -26.287 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.625 13.569 -28.820 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.878 12.050 -28.270 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.870 13.492 -28.536 1.00 0.00 H new ATOM 247 N TYR A 19 16.965 13.176 -27.199 1.00 0.00 N ATOM 248 CA TYR A 19 15.683 13.745 -27.600 1.00 0.00 C ATOM 249 C TYR A 19 14.545 13.163 -26.767 1.00 0.00 C ATOM 250 O TYR A 19 13.371 13.427 -27.031 1.00 0.00 O ATOM 251 CB TYR A 19 15.428 13.486 -29.085 1.00 0.00 C ATOM 252 CG TYR A 19 16.597 13.851 -29.973 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.753 15.147 -30.450 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.543 12.901 -30.336 1.00 0.00 C ATOM 255 CE1 TYR A 19 17.818 15.485 -31.262 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.612 13.231 -31.146 1.00 0.00 C ATOM 257 CZ TYR A 19 18.745 14.524 -31.607 1.00 0.00 C ATOM 258 OH TYR A 19 19.808 14.856 -32.415 1.00 0.00 O ATOM 0 H TYR A 19 17.286 12.406 -27.786 1.00 0.00 H new ATOM 0 HA TYR A 19 15.722 14.821 -27.428 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.191 12.431 -29.226 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.553 14.054 -29.399 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.029 15.902 -30.181 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.441 11.887 -29.979 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.924 16.497 -31.625 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.340 12.480 -31.417 1.00 0.00 H new ATOM 0 HH TYR A 19 20.368 14.065 -32.561 1.00 0.00 H new ATOM 268 N TRP A 20 14.900 12.372 -25.762 1.00 0.00 N ATOM 269 CA TRP A 20 13.909 11.753 -24.890 1.00 0.00 C ATOM 270 C TRP A 20 12.926 12.790 -24.360 1.00 0.00 C ATOM 271 O TRP A 20 13.130 13.993 -24.524 1.00 0.00 O ATOM 272 CB TRP A 20 14.598 11.043 -23.723 1.00 0.00 C ATOM 273 CG TRP A 20 15.104 9.677 -24.074 1.00 0.00 C ATOM 274 CD1 TRP A 20 15.098 9.093 -25.308 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.689 8.724 -23.180 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.643 7.834 -25.235 1.00 0.00 N ATOM 277 CE2 TRP A 20 16.015 7.584 -23.941 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.972 8.723 -21.811 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.607 6.457 -23.377 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.559 7.604 -21.253 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.872 6.484 -22.035 1.00 0.00 C ATOM 0 H TRP A 20 15.867 12.144 -25.530 1.00 0.00 H new ATOM 0 HA TRP A 20 13.354 11.020 -25.476 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.432 11.654 -23.377 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.897 10.961 -22.892 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.720 9.553 -26.209 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.753 7.190 -26.018 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.736 9.582 -21.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.848 5.592 -23.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.781 7.592 -20.196 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.332 5.625 -21.569 1.00 0.00 H new ATOM 292 N SER A 21 11.858 12.318 -23.724 1.00 0.00 N ATOM 293 CA SER A 21 10.842 13.206 -23.173 1.00 0.00 C ATOM 294 C SER A 21 11.037 13.391 -21.671 1.00 0.00 C ATOM 295 O SER A 21 11.788 12.661 -21.023 1.00 0.00 O ATOM 296 CB SER A 21 9.444 12.650 -23.452 1.00 0.00 C ATOM 297 OG SER A 21 8.866 13.270 -24.588 1.00 0.00 O ATOM 0 H SER A 21 11.674 11.325 -23.578 1.00 0.00 H new ATOM 0 HA SER A 21 10.943 14.177 -23.657 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.503 11.573 -23.612 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.806 12.809 -22.583 1.00 0.00 H new ATOM 0 HG SER A 21 7.974 12.896 -24.746 1.00 0.00 H new ATOM 303 N PRO A 22 10.347 14.391 -21.104 1.00 0.00 N ATOM 304 CA PRO A 22 10.427 14.697 -19.673 1.00 0.00 C ATOM 305 C PRO A 22 9.769 13.623 -18.813 1.00 0.00 C ATOM 306 O PRO A 22 9.976 13.570 -17.600 1.00 0.00 O ATOM 307 CB PRO A 22 9.669 16.020 -19.549 1.00 0.00 C ATOM 308 CG PRO A 22 8.729 16.028 -20.705 1.00 0.00 C ATOM 309 CD PRO A 22 9.433 15.300 -21.817 1.00 0.00 C ATOM 0 HA PRO A 22 11.459 14.748 -19.325 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.133 16.082 -18.602 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.349 16.871 -19.586 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.791 15.535 -20.449 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.483 17.048 -21.001 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.731 14.752 -22.446 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.975 15.987 -22.467 1.00 0.00 H new ATOM 317 N LYS A 23 8.974 12.768 -19.448 1.00 0.00 N ATOM 318 CA LYS A 23 8.286 11.694 -18.742 1.00 0.00 C ATOM 319 C LYS A 23 9.064 10.386 -18.851 1.00 0.00 C ATOM 320 O LYS A 23 8.879 9.473 -18.045 1.00 0.00 O ATOM 321 CB LYS A 23 6.875 11.508 -19.305 1.00 0.00 C ATOM 322 CG LYS A 23 5.828 12.368 -18.617 1.00 0.00 C ATOM 323 CD LYS A 23 6.169 13.845 -18.714 1.00 0.00 C ATOM 324 CE LYS A 23 4.922 14.712 -18.621 1.00 0.00 C ATOM 325 NZ LYS A 23 4.294 14.638 -17.273 1.00 0.00 N ATOM 0 H LYS A 23 8.790 12.798 -20.451 1.00 0.00 H new ATOM 0 HA LYS A 23 8.218 11.970 -17.690 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.884 11.743 -20.369 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.591 10.460 -19.212 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.853 12.188 -19.070 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.750 12.080 -17.569 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.860 14.113 -17.915 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.680 14.040 -19.657 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.182 15.747 -18.844 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.202 14.394 -19.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.448 15.242 -17.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.023 13.655 -17.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.972 14.965 -16.556 1.00 0.00 H new ATOM 339 N LYS A 24 9.935 10.302 -19.851 1.00 0.00 N ATOM 340 CA LYS A 24 10.743 9.107 -20.064 1.00 0.00 C ATOM 341 C LYS A 24 11.955 9.098 -19.137 1.00 0.00 C ATOM 342 O LYS A 24 12.172 8.142 -18.393 1.00 0.00 O ATOM 343 CB LYS A 24 11.202 9.030 -21.522 1.00 0.00 C ATOM 344 CG LYS A 24 12.380 8.097 -21.740 1.00 0.00 C ATOM 345 CD LYS A 24 12.100 6.708 -21.192 1.00 0.00 C ATOM 346 CE LYS A 24 13.218 5.736 -21.538 1.00 0.00 C ATOM 347 NZ LYS A 24 12.866 4.335 -21.176 1.00 0.00 N ATOM 0 H LYS A 24 10.099 11.048 -20.527 1.00 0.00 H new ATOM 0 HA LYS A 24 10.127 8.237 -19.837 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.367 8.698 -22.140 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.473 10.029 -21.862 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.601 8.031 -22.805 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.266 8.508 -21.256 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.983 6.760 -20.109 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.158 6.339 -21.597 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.431 5.793 -22.605 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.129 6.029 -21.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.653 3.703 -21.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.687 4.275 -20.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.012 4.047 -21.694 1.00 0.00 H new ATOM 361 N VAL A 25 12.741 10.168 -19.187 1.00 0.00 N ATOM 362 CA VAL A 25 13.930 10.284 -18.351 1.00 0.00 C ATOM 363 C VAL A 25 13.665 9.760 -16.944 1.00 0.00 C ATOM 364 O VAL A 25 14.529 9.133 -16.332 1.00 0.00 O ATOM 365 CB VAL A 25 14.413 11.743 -18.261 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.612 11.852 -17.332 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.749 12.279 -19.644 1.00 0.00 C ATOM 0 H VAL A 25 12.576 10.968 -19.798 1.00 0.00 H new ATOM 0 HA VAL A 25 14.707 9.681 -18.820 1.00 0.00 H new ATOM 0 HB VAL A 25 13.607 12.349 -17.848 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.939 12.890 -17.281 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.332 11.510 -16.335 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.425 11.234 -17.713 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.089 13.311 -19.561 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.538 11.672 -20.088 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.861 12.238 -20.275 1.00 0.00 H new ATOM 377 N ALA A 26 12.464 10.020 -16.438 1.00 0.00 N ATOM 378 CA ALA A 26 12.085 9.573 -15.103 1.00 0.00 C ATOM 379 C ALA A 26 12.002 8.052 -15.037 1.00 0.00 C ATOM 380 O ALA A 26 12.691 7.417 -14.238 1.00 0.00 O ATOM 381 CB ALA A 26 10.756 10.193 -14.697 1.00 0.00 C ATOM 0 H ALA A 26 11.737 10.538 -16.932 1.00 0.00 H new ATOM 0 HA ALA A 26 12.855 9.900 -14.405 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.485 9.851 -13.698 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.846 11.279 -14.696 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.983 9.894 -15.405 1.00 0.00 H new ATOM 387 N ASP A 27 11.155 7.473 -15.881 1.00 0.00 N ATOM 388 CA ASP A 27 10.983 6.025 -15.918 1.00 0.00 C ATOM 389 C ASP A 27 12.334 5.317 -15.920 1.00 0.00 C ATOM 390 O ASP A 27 12.498 4.270 -15.293 1.00 0.00 O ATOM 391 CB ASP A 27 10.179 5.617 -17.153 1.00 0.00 C ATOM 392 CG ASP A 27 8.684 5.627 -16.900 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.083 6.722 -16.935 1.00 0.00 O ATOM 394 OD2 ASP A 27 8.115 4.540 -16.668 1.00 0.00 O ATOM 0 H ASP A 27 10.577 7.984 -16.548 1.00 0.00 H new ATOM 0 HA ASP A 27 10.437 5.726 -15.023 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.410 6.296 -17.974 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.484 4.619 -17.469 1.00 0.00 H new ATOM 399 N TRP A 28 13.298 5.894 -16.629 1.00 0.00 N ATOM 400 CA TRP A 28 14.635 5.317 -16.712 1.00 0.00 C ATOM 401 C TRP A 28 15.308 5.303 -15.344 1.00 0.00 C ATOM 402 O TRP A 28 16.115 4.421 -15.047 1.00 0.00 O ATOM 403 CB TRP A 28 15.491 6.104 -17.706 1.00 0.00 C ATOM 404 CG TRP A 28 16.922 5.659 -17.741 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.424 4.561 -18.380 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.034 6.301 -17.107 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.781 4.482 -18.181 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.180 5.538 -17.405 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.173 7.446 -16.319 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.446 5.885 -16.941 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.431 7.789 -15.859 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.553 7.011 -16.171 1.00 0.00 C ATOM 0 H TRP A 28 13.179 6.760 -17.154 1.00 0.00 H new ATOM 0 HA TRP A 28 14.539 4.288 -17.060 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.062 6.003 -18.703 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.453 7.162 -17.448 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.840 3.859 -18.957 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.393 3.755 -18.551 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.314 8.052 -16.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.313 5.287 -17.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.550 8.672 -15.249 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.522 7.306 -15.796 1.00 0.00 H new ATOM 423 N LEU A 29 14.971 6.284 -14.514 1.00 0.00 N ATOM 424 CA LEU A 29 15.544 6.384 -13.175 1.00 0.00 C ATOM 425 C LEU A 29 14.948 5.329 -12.248 1.00 0.00 C ATOM 426 O LEU A 29 15.673 4.630 -11.539 1.00 0.00 O ATOM 427 CB LEU A 29 15.302 7.780 -12.599 1.00 0.00 C ATOM 428 CG LEU A 29 15.948 8.940 -13.358 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.340 10.265 -12.925 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.454 8.947 -13.142 1.00 0.00 C ATOM 0 H LEU A 29 14.305 7.021 -14.744 1.00 0.00 H new ATOM 0 HA LEU A 29 16.617 6.210 -13.251 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.227 7.953 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.667 7.796 -11.572 1.00 0.00 H new ATOM 0 HG LEU A 29 15.755 8.805 -14.422 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.812 11.079 -13.475 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.270 10.259 -13.132 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.502 10.408 -11.857 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.896 9.779 -13.690 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.669 9.057 -12.079 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.878 8.010 -13.502 1.00 0.00 H new ATOM 442 N LEU A 30 13.625 5.217 -12.260 1.00 0.00 N ATOM 443 CA LEU A 30 12.931 4.245 -11.423 1.00 0.00 C ATOM 444 C LEU A 30 13.241 2.821 -11.871 1.00 0.00 C ATOM 445 O LEU A 30 13.272 1.898 -11.058 1.00 0.00 O ATOM 446 CB LEU A 30 11.421 4.489 -11.467 1.00 0.00 C ATOM 447 CG LEU A 30 10.974 5.949 -11.372 1.00 0.00 C ATOM 448 CD1 LEU A 30 9.554 6.107 -11.893 1.00 0.00 C ATOM 449 CD2 LEU A 30 11.076 6.446 -9.938 1.00 0.00 C ATOM 0 H LEU A 30 13.011 5.788 -12.841 1.00 0.00 H new ATOM 0 HA LEU A 30 13.282 4.368 -10.399 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.032 4.071 -12.395 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.960 3.935 -10.650 1.00 0.00 H new ATOM 0 HG LEU A 30 11.636 6.553 -11.992 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.253 7.152 -11.818 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.512 5.791 -12.935 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.878 5.491 -11.300 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.754 7.486 -9.890 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.438 5.838 -9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.109 6.370 -9.599 1.00 0.00 H new ATOM 461 N GLU A 31 13.471 2.651 -13.169 1.00 0.00 N ATOM 462 CA GLU A 31 13.781 1.339 -13.724 1.00 0.00 C ATOM 463 C GLU A 31 15.037 0.758 -13.081 1.00 0.00 C ATOM 464 O GLU A 31 15.248 -0.454 -13.088 1.00 0.00 O ATOM 465 CB GLU A 31 13.967 1.432 -15.240 1.00 0.00 C ATOM 466 CG GLU A 31 14.913 0.385 -15.803 1.00 0.00 C ATOM 467 CD GLU A 31 14.673 0.114 -17.275 1.00 0.00 C ATOM 468 OE1 GLU A 31 13.591 -0.409 -17.615 1.00 0.00 O ATOM 469 OE2 GLU A 31 15.568 0.425 -18.088 1.00 0.00 O ATOM 0 H GLU A 31 13.449 3.405 -13.856 1.00 0.00 H new ATOM 0 HA GLU A 31 12.944 0.676 -13.508 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.996 1.329 -15.724 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.345 2.423 -15.491 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.942 0.716 -15.661 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.797 -0.543 -15.243 1.00 0.00 H new ATOM 476 N ASN A 32 15.869 1.634 -12.526 1.00 0.00 N ATOM 477 CA ASN A 32 17.105 1.210 -11.879 1.00 0.00 C ATOM 478 C ASN A 32 17.113 1.609 -10.406 1.00 0.00 C ATOM 479 O ASN A 32 18.164 1.640 -9.767 1.00 0.00 O ATOM 480 CB ASN A 32 18.314 1.821 -12.591 1.00 0.00 C ATOM 481 CG ASN A 32 18.423 1.371 -14.035 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.870 0.259 -14.318 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.013 2.235 -14.957 1.00 0.00 N ATOM 0 H ASN A 32 15.709 2.641 -12.512 1.00 0.00 H new ATOM 0 HA ASN A 32 17.165 0.124 -11.943 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.241 2.908 -12.557 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.224 1.545 -12.058 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.062 1.988 -15.945 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.650 3.146 -14.677 1.00 0.00 H new ATOM 490 N ALA A 33 15.933 1.912 -9.875 1.00 0.00 N ATOM 491 CA ALA A 33 15.804 2.306 -8.477 1.00 0.00 C ATOM 492 C ALA A 33 16.516 3.627 -8.211 1.00 0.00 C ATOM 493 O ALA A 33 17.336 3.728 -7.299 1.00 0.00 O ATOM 494 CB ALA A 33 16.353 1.215 -7.569 1.00 0.00 C ATOM 0 H ALA A 33 15.053 1.892 -10.391 1.00 0.00 H new ATOM 0 HA ALA A 33 14.745 2.445 -8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.251 1.522 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.796 0.292 -7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.406 1.048 -7.796 1.00 0.00 H new ATOM 500 N MET A 34 16.199 4.637 -9.014 1.00 0.00 N ATOM 501 CA MET A 34 16.810 5.953 -8.865 1.00 0.00 C ATOM 502 C MET A 34 15.744 7.040 -8.765 1.00 0.00 C ATOM 503 O MET A 34 15.813 8.073 -9.430 1.00 0.00 O ATOM 504 CB MET A 34 17.742 6.243 -10.043 1.00 0.00 C ATOM 505 CG MET A 34 18.691 5.099 -10.363 1.00 0.00 C ATOM 506 SD MET A 34 20.249 5.667 -11.070 1.00 0.00 S ATOM 507 CE MET A 34 19.790 5.859 -12.791 1.00 0.00 C ATOM 0 H MET A 34 15.523 4.570 -9.775 1.00 0.00 H new ATOM 0 HA MET A 34 17.391 5.953 -7.943 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.141 6.463 -10.925 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.325 7.137 -9.823 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.894 4.535 -9.453 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.208 4.415 -11.061 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.436 6.602 -13.259 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.902 4.905 -13.306 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.753 6.187 -12.856 1.00 0.00 H new ATOM 517 N PRO A 35 14.734 6.802 -7.916 1.00 0.00 N ATOM 518 CA PRO A 35 13.634 7.749 -7.710 1.00 0.00 C ATOM 519 C PRO A 35 14.082 9.009 -6.978 1.00 0.00 C ATOM 520 O PRO A 35 13.344 9.990 -6.903 1.00 0.00 O ATOM 521 CB PRO A 35 12.640 6.959 -6.854 1.00 0.00 C ATOM 522 CG PRO A 35 13.473 5.947 -6.145 1.00 0.00 C ATOM 523 CD PRO A 35 14.587 5.592 -7.090 1.00 0.00 C ATOM 0 HA PRO A 35 13.219 8.101 -8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.121 7.608 -6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.877 6.483 -7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.866 6.350 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.883 5.067 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.507 5.356 -6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.338 4.720 -7.695 1.00 0.00 H new ATOM 531 N GLU A 36 15.298 8.974 -6.440 1.00 0.00 N ATOM 532 CA GLU A 36 15.843 10.114 -5.712 1.00 0.00 C ATOM 533 C GLU A 36 16.264 11.222 -6.674 1.00 0.00 C ATOM 534 O GLU A 36 16.342 12.391 -6.294 1.00 0.00 O ATOM 535 CB GLU A 36 17.039 9.680 -4.863 1.00 0.00 C ATOM 536 CG GLU A 36 18.165 9.056 -5.670 1.00 0.00 C ATOM 537 CD GLU A 36 18.946 8.023 -4.880 1.00 0.00 C ATOM 538 OE1 GLU A 36 18.454 7.592 -3.817 1.00 0.00 O ATOM 539 OE2 GLU A 36 20.050 7.646 -5.327 1.00 0.00 O ATOM 0 H GLU A 36 15.923 8.170 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 36 15.063 10.501 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.425 10.546 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.701 8.964 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.751 8.588 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.844 9.840 -6.006 1.00 0.00 H new ATOM 546 N TYR A 37 16.534 10.846 -7.918 1.00 0.00 N ATOM 547 CA TYR A 37 16.950 11.807 -8.934 1.00 0.00 C ATOM 548 C TYR A 37 15.758 12.272 -9.764 1.00 0.00 C ATOM 549 O TYR A 37 15.861 13.223 -10.540 1.00 0.00 O ATOM 550 CB TYR A 37 18.011 11.189 -9.846 1.00 0.00 C ATOM 551 CG TYR A 37 19.339 10.959 -9.160 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.130 12.028 -8.757 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.803 9.673 -8.915 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.344 11.823 -8.132 1.00 0.00 C ATOM 555 CE2 TYR A 37 21.015 9.458 -8.288 1.00 0.00 C ATOM 556 CZ TYR A 37 21.782 10.536 -7.899 1.00 0.00 C ATOM 557 OH TYR A 37 22.991 10.327 -7.275 1.00 0.00 O ATOM 0 H TYR A 37 16.473 9.883 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 37 17.376 12.673 -8.427 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.640 10.238 -10.229 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.164 11.841 -10.706 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.789 13.037 -8.936 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.206 8.826 -9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.947 12.665 -7.827 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.360 8.451 -8.103 1.00 0.00 H new ATOM 0 HH TYR A 37 23.257 9.390 -7.383 1.00 0.00 H new ATOM 567 N CYS A 38 14.628 11.595 -9.596 1.00 0.00 N ATOM 568 CA CYS A 38 13.414 11.938 -10.329 1.00 0.00 C ATOM 569 C CYS A 38 13.004 13.381 -10.058 1.00 0.00 C ATOM 570 O CYS A 38 12.615 14.107 -10.972 1.00 0.00 O ATOM 571 CB CYS A 38 12.276 10.991 -9.945 1.00 0.00 C ATOM 572 SG CYS A 38 10.968 10.867 -11.186 1.00 0.00 S ATOM 0 H CYS A 38 14.527 10.805 -8.959 1.00 0.00 H new ATOM 0 HA CYS A 38 13.621 11.832 -11.394 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.689 9.998 -9.767 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.839 11.328 -9.005 1.00 0.00 H new ATOM 0 HG CYS A 38 10.053 10.042 -10.771 1.00 0.00 H new ATOM 578 N GLU A 39 13.094 13.790 -8.797 1.00 0.00 N ATOM 579 CA GLU A 39 12.731 15.147 -8.406 1.00 0.00 C ATOM 580 C GLU A 39 13.490 16.175 -9.241 1.00 0.00 C ATOM 581 O GLU A 39 12.902 16.993 -9.948 1.00 0.00 O ATOM 582 CB GLU A 39 13.019 15.368 -6.920 1.00 0.00 C ATOM 583 CG GLU A 39 11.818 15.115 -6.023 1.00 0.00 C ATOM 584 CD GLU A 39 10.540 15.717 -6.575 1.00 0.00 C ATOM 585 OE1 GLU A 39 9.856 15.032 -7.364 1.00 0.00 O ATOM 586 OE2 GLU A 39 10.225 16.871 -6.220 1.00 0.00 O ATOM 0 H GLU A 39 13.415 13.201 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 39 11.663 15.276 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.834 14.712 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.362 16.392 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.684 14.041 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.014 15.531 -5.035 1.00 0.00 H new ATOM 593 N PRO A 40 14.828 16.133 -9.157 1.00 0.00 N ATOM 594 CA PRO A 40 15.696 17.053 -9.897 1.00 0.00 C ATOM 595 C PRO A 40 15.684 16.781 -11.397 1.00 0.00 C ATOM 596 O PRO A 40 16.064 17.637 -12.197 1.00 0.00 O ATOM 597 CB PRO A 40 17.084 16.776 -9.314 1.00 0.00 C ATOM 598 CG PRO A 40 17.010 15.378 -8.805 1.00 0.00 C ATOM 599 CD PRO A 40 15.595 15.184 -8.333 1.00 0.00 C ATOM 0 HA PRO A 40 15.374 18.089 -9.794 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.860 16.880 -10.072 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.324 17.476 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.261 14.663 -9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.718 15.221 -7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.258 14.158 -8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.493 15.401 -7.270 1.00 0.00 H new ATOM 607 N LEU A 41 15.246 15.585 -11.773 1.00 0.00 N ATOM 608 CA LEU A 41 15.185 15.199 -13.179 1.00 0.00 C ATOM 609 C LEU A 41 13.739 15.118 -13.659 1.00 0.00 C ATOM 610 O LEU A 41 13.454 14.532 -14.703 1.00 0.00 O ATOM 611 CB LEU A 41 15.880 13.853 -13.389 1.00 0.00 C ATOM 612 CG LEU A 41 17.339 13.773 -12.937 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.840 12.339 -13.003 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.212 14.685 -13.786 1.00 0.00 C ATOM 0 H LEU A 41 14.928 14.865 -11.124 1.00 0.00 H new ATOM 0 HA LEU A 41 15.700 15.962 -13.763 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.314 13.088 -12.858 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.835 13.605 -14.449 1.00 0.00 H new ATOM 0 HG LEU A 41 17.397 14.109 -11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.880 12.302 -12.678 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.233 11.711 -12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.767 11.975 -14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.246 14.615 -13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.149 14.380 -14.831 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.867 15.714 -13.687 1.00 0.00 H new ATOM 626 N GLU A 42 12.832 15.712 -12.890 1.00 0.00 N ATOM 627 CA GLU A 42 11.416 15.708 -13.239 1.00 0.00 C ATOM 628 C GLU A 42 11.191 16.336 -14.611 1.00 0.00 C ATOM 629 O GLU A 42 10.440 15.809 -15.432 1.00 0.00 O ATOM 630 CB GLU A 42 10.605 16.461 -12.182 1.00 0.00 C ATOM 631 CG GLU A 42 11.050 17.900 -11.985 1.00 0.00 C ATOM 632 CD GLU A 42 10.560 18.489 -10.677 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.416 18.184 -10.281 1.00 0.00 O ATOM 634 OE2 GLU A 42 11.321 19.255 -10.049 1.00 0.00 O ATOM 0 H GLU A 42 13.052 16.201 -12.023 1.00 0.00 H new ATOM 0 HA GLU A 42 11.080 14.672 -13.274 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.553 16.451 -12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.682 15.932 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.139 17.947 -12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.682 18.507 -12.813 1.00 0.00 H new ATOM 641 N HIS A 43 11.848 17.466 -14.853 1.00 0.00 N ATOM 642 CA HIS A 43 11.721 18.168 -16.126 1.00 0.00 C ATOM 643 C HIS A 43 13.010 18.064 -16.935 1.00 0.00 C ATOM 644 O HIS A 43 13.343 18.961 -17.709 1.00 0.00 O ATOM 645 CB HIS A 43 11.370 19.637 -15.889 1.00 0.00 C ATOM 646 CG HIS A 43 12.209 20.291 -14.835 1.00 0.00 C ATOM 647 ND1 HIS A 43 13.568 20.485 -14.968 1.00 0.00 N ATOM 648 CD2 HIS A 43 11.874 20.799 -13.626 1.00 0.00 C ATOM 649 CE1 HIS A 43 14.033 21.082 -13.885 1.00 0.00 C ATOM 650 NE2 HIS A 43 13.025 21.284 -13.055 1.00 0.00 N ATOM 0 H HIS A 43 12.474 17.915 -14.185 1.00 0.00 H new ATOM 0 HA HIS A 43 10.918 17.698 -16.694 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.484 20.185 -16.824 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.321 19.710 -15.603 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.886 20.819 -13.191 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.062 21.358 -13.708 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.091 21.728 -12.139 1.00 0.00 H new ATOM 658 N PHE A 44 13.732 16.964 -16.749 1.00 0.00 N ATOM 659 CA PHE A 44 14.987 16.744 -17.460 1.00 0.00 C ATOM 660 C PHE A 44 14.765 15.884 -18.701 1.00 0.00 C ATOM 661 O PHE A 44 13.946 14.965 -18.695 1.00 0.00 O ATOM 662 CB PHE A 44 16.009 16.077 -16.538 1.00 0.00 C ATOM 663 CG PHE A 44 16.883 17.054 -15.805 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.327 18.011 -14.972 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.261 17.015 -15.949 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.129 18.912 -14.297 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.068 17.912 -15.276 1.00 0.00 C ATOM 668 CZ PHE A 44 18.501 18.862 -14.448 1.00 0.00 C ATOM 0 H PHE A 44 13.470 16.211 -16.112 1.00 0.00 H new ATOM 0 HA PHE A 44 15.372 17.713 -17.776 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.482 15.458 -15.812 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.638 15.411 -17.128 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.255 18.054 -14.849 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.709 16.275 -16.595 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.683 19.655 -13.652 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.140 17.871 -15.397 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.129 19.564 -13.920 1.00 0.00 H new ATOM 678 N THR A 45 15.502 16.189 -19.764 1.00 0.00 N ATOM 679 CA THR A 45 15.385 15.447 -21.013 1.00 0.00 C ATOM 680 C THR A 45 16.649 14.642 -21.294 1.00 0.00 C ATOM 681 O THR A 45 17.753 15.060 -20.949 1.00 0.00 O ATOM 682 CB THR A 45 15.115 16.388 -22.203 1.00 0.00 C ATOM 683 OG1 THR A 45 15.978 17.528 -22.131 1.00 0.00 O ATOM 684 CG2 THR A 45 13.664 16.844 -22.213 1.00 0.00 C ATOM 0 H THR A 45 16.186 16.945 -19.785 1.00 0.00 H new ATOM 0 HA THR A 45 14.541 14.767 -20.898 1.00 0.00 H new ATOM 0 HB THR A 45 15.314 15.840 -23.124 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.802 18.120 -22.892 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.497 17.507 -23.062 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.010 15.976 -22.297 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.443 17.376 -21.288 1.00 0.00 H new ATOM 692 N GLY A 46 16.479 13.483 -21.924 1.00 0.00 N ATOM 693 CA GLY A 46 17.614 12.637 -22.240 1.00 0.00 C ATOM 694 C GLY A 46 18.870 13.436 -22.528 1.00 0.00 C ATOM 695 O GLY A 46 19.969 13.034 -22.147 1.00 0.00 O ATOM 0 H GLY A 46 15.575 13.116 -22.221 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.801 11.959 -21.407 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.373 12.020 -23.105 1.00 0.00 H new ATOM 699 N GLN A 47 18.707 14.569 -23.203 1.00 0.00 N ATOM 700 CA GLN A 47 19.837 15.424 -23.544 1.00 0.00 C ATOM 701 C GLN A 47 20.448 16.044 -22.291 1.00 0.00 C ATOM 702 O GLN A 47 21.658 15.970 -22.077 1.00 0.00 O ATOM 703 CB GLN A 47 19.398 16.525 -24.510 1.00 0.00 C ATOM 704 CG GLN A 47 20.526 17.456 -24.926 1.00 0.00 C ATOM 705 CD GLN A 47 21.379 16.878 -26.039 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.125 17.119 -27.220 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.397 16.111 -25.668 1.00 0.00 N ATOM 0 H GLN A 47 17.803 14.916 -23.524 1.00 0.00 H new ATOM 0 HA GLN A 47 20.594 14.807 -24.028 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.970 16.065 -25.401 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.607 17.112 -24.043 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.105 18.407 -25.252 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.156 17.666 -24.062 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.571 15.938 -24.678 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.005 15.695 -26.373 1.00 0.00 H new ATOM 716 N ASP A 48 19.603 16.655 -21.468 1.00 0.00 N ATOM 717 CA ASP A 48 20.059 17.287 -20.236 1.00 0.00 C ATOM 718 C ASP A 48 20.560 16.243 -19.243 1.00 0.00 C ATOM 719 O ASP A 48 21.523 16.478 -18.511 1.00 0.00 O ATOM 720 CB ASP A 48 18.929 18.105 -19.608 1.00 0.00 C ATOM 721 CG ASP A 48 18.803 19.485 -20.224 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.258 19.666 -21.372 1.00 0.00 O ATOM 723 OD2 ASP A 48 18.250 20.384 -19.556 1.00 0.00 O ATOM 0 H ASP A 48 18.599 16.726 -21.632 1.00 0.00 H new ATOM 0 HA ASP A 48 20.885 17.954 -20.483 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.987 17.570 -19.727 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.107 18.203 -18.537 1.00 0.00 H new ATOM 728 N LEU A 49 19.900 15.091 -19.221 1.00 0.00 N ATOM 729 CA LEU A 49 20.278 14.009 -18.317 1.00 0.00 C ATOM 730 C LEU A 49 21.723 13.583 -18.553 1.00 0.00 C ATOM 731 O LEU A 49 22.551 13.629 -17.643 1.00 0.00 O ATOM 732 CB LEU A 49 19.344 12.813 -18.504 1.00 0.00 C ATOM 733 CG LEU A 49 19.779 11.510 -17.831 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.570 10.745 -17.316 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.582 10.653 -18.799 1.00 0.00 C ATOM 0 H LEU A 49 19.100 14.881 -19.818 1.00 0.00 H new ATOM 0 HA LEU A 49 20.189 14.375 -17.294 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.359 13.084 -18.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.233 12.627 -19.572 1.00 0.00 H new ATOM 0 HG LEU A 49 20.415 11.757 -16.981 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.899 9.821 -16.841 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.035 11.356 -16.589 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.907 10.508 -18.149 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.883 9.730 -18.304 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.969 10.415 -19.669 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.469 11.199 -19.119 1.00 0.00 H new ATOM 747 N ILE A 50 22.019 13.169 -19.781 1.00 0.00 N ATOM 748 CA ILE A 50 23.366 12.738 -20.137 1.00 0.00 C ATOM 749 C ILE A 50 24.372 13.869 -19.952 1.00 0.00 C ATOM 750 O ILE A 50 25.576 13.635 -19.867 1.00 0.00 O ATOM 751 CB ILE A 50 23.431 12.241 -21.593 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.203 13.403 -22.562 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.404 11.142 -21.824 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.930 13.243 -23.879 1.00 0.00 C ATOM 0 H ILE A 50 21.345 13.123 -20.545 1.00 0.00 H new ATOM 0 HA ILE A 50 23.621 11.915 -19.469 1.00 0.00 H new ATOM 0 HB ILE A 50 24.423 11.829 -21.777 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.135 13.500 -22.755 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.526 14.330 -22.088 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.462 10.801 -22.858 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.608 10.307 -21.154 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.405 11.530 -21.626 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.723 14.103 -24.516 1.00 0.00 H new ATOM 0 HD12 ILE A 50 25.003 13.177 -23.697 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.589 12.334 -24.375 1.00 0.00 H new ATOM 766 N ASN A 51 23.868 15.098 -19.889 1.00 0.00 N ATOM 767 CA ASN A 51 24.722 16.266 -19.713 1.00 0.00 C ATOM 768 C ASN A 51 25.023 16.504 -18.237 1.00 0.00 C ATOM 769 O ASN A 51 25.509 17.569 -17.854 1.00 0.00 O ATOM 770 CB ASN A 51 24.056 17.506 -20.315 1.00 0.00 C ATOM 771 CG ASN A 51 24.200 17.564 -21.824 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.172 17.058 -22.386 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.231 18.184 -22.487 1.00 0.00 N ATOM 0 H ASN A 51 22.873 15.310 -19.957 1.00 0.00 H new ATOM 0 HA ASN A 51 25.662 16.078 -20.231 1.00 0.00 H new ATOM 0 HB2 ASN A 51 22.998 17.510 -20.053 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.497 18.401 -19.876 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.274 18.256 -23.504 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.444 18.589 -21.980 1.00 0.00 H new ATOM 780 N LEU A 52 24.732 15.504 -17.411 1.00 0.00 N ATOM 781 CA LEU A 52 24.972 15.603 -15.976 1.00 0.00 C ATOM 782 C LEU A 52 26.409 15.220 -15.636 1.00 0.00 C ATOM 783 O LEU A 52 26.973 14.296 -16.225 1.00 0.00 O ATOM 784 CB LEU A 52 23.998 14.703 -15.213 1.00 0.00 C ATOM 785 CG LEU A 52 22.551 15.191 -15.138 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.723 14.272 -14.255 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.497 16.622 -14.621 1.00 0.00 C ATOM 0 H LEU A 52 24.330 14.616 -17.711 1.00 0.00 H new ATOM 0 HA LEU A 52 24.811 16.639 -15.676 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.004 13.718 -15.679 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.371 14.577 -14.197 1.00 0.00 H new ATOM 0 HG LEU A 52 22.129 15.172 -16.143 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.696 14.635 -14.214 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.735 13.263 -14.668 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.144 14.258 -13.249 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.460 16.953 -14.574 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.937 16.666 -13.625 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.056 17.273 -15.293 1.00 0.00 H new ATOM 799 N THR A 53 26.997 15.934 -14.682 1.00 0.00 N ATOM 800 CA THR A 53 28.367 15.668 -14.262 1.00 0.00 C ATOM 801 C THR A 53 28.478 15.625 -12.743 1.00 0.00 C ATOM 802 O THR A 53 27.536 15.974 -12.033 1.00 0.00 O ATOM 803 CB THR A 53 29.338 16.732 -14.807 1.00 0.00 C ATOM 804 OG1 THR A 53 28.973 18.026 -14.316 1.00 0.00 O ATOM 805 CG2 THR A 53 29.333 16.741 -16.328 1.00 0.00 C ATOM 0 H THR A 53 26.545 16.702 -14.185 1.00 0.00 H new ATOM 0 HA THR A 53 28.640 14.695 -14.671 1.00 0.00 H new ATOM 0 HB THR A 53 30.343 16.484 -14.464 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.596 18.696 -14.666 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.026 17.500 -16.690 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.640 15.763 -16.699 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.329 16.966 -16.687 1.00 0.00 H new ATOM 813 N GLN A 54 29.636 15.196 -12.250 1.00 0.00 N ATOM 814 CA GLN A 54 29.869 15.109 -10.814 1.00 0.00 C ATOM 815 C GLN A 54 29.726 16.477 -10.155 1.00 0.00 C ATOM 816 O GLN A 54 29.283 16.582 -9.012 1.00 0.00 O ATOM 817 CB GLN A 54 31.261 14.539 -10.535 1.00 0.00 C ATOM 818 CG GLN A 54 31.543 14.315 -9.058 1.00 0.00 C ATOM 819 CD GLN A 54 33.013 14.080 -8.774 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.872 14.848 -9.207 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.311 13.012 -8.042 1.00 0.00 N ATOM 0 H GLN A 54 30.427 14.904 -12.824 1.00 0.00 H new ATOM 0 HA GLN A 54 29.119 14.441 -10.390 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.370 13.592 -11.064 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.011 15.219 -10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.201 15.181 -8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.968 13.458 -8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.567 12.402 -7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.284 12.802 -7.819 1.00 0.00 H new ATOM 830 N GLU A 55 30.105 17.522 -10.884 1.00 0.00 N ATOM 831 CA GLU A 55 30.018 18.883 -10.369 1.00 0.00 C ATOM 832 C GLU A 55 28.563 19.305 -10.188 1.00 0.00 C ATOM 833 O GLU A 55 28.246 20.129 -9.330 1.00 0.00 O ATOM 834 CB GLU A 55 30.729 19.856 -11.312 1.00 0.00 C ATOM 835 CG GLU A 55 29.819 20.446 -12.377 1.00 0.00 C ATOM 836 CD GLU A 55 30.591 21.109 -13.501 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.460 20.440 -14.098 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.325 22.296 -13.785 1.00 0.00 O ATOM 0 H GLU A 55 30.475 17.452 -11.832 1.00 0.00 H new ATOM 0 HA GLU A 55 30.509 18.907 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.161 20.667 -10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.556 19.339 -11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.189 19.657 -12.789 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.154 21.177 -11.917 1.00 0.00 H new ATOM 845 N ASP A 56 27.682 18.735 -11.004 1.00 0.00 N ATOM 846 CA ASP A 56 26.260 19.050 -10.935 1.00 0.00 C ATOM 847 C ASP A 56 25.649 18.521 -9.641 1.00 0.00 C ATOM 848 O ASP A 56 24.531 18.886 -9.276 1.00 0.00 O ATOM 849 CB ASP A 56 25.526 18.460 -12.139 1.00 0.00 C ATOM 850 CG ASP A 56 25.962 19.089 -13.448 1.00 0.00 C ATOM 851 OD1 ASP A 56 26.739 20.066 -13.407 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.526 18.605 -14.513 1.00 0.00 O ATOM 0 H ASP A 56 27.928 18.052 -11.721 1.00 0.00 H new ATOM 0 HA ASP A 56 26.152 20.135 -10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.704 17.385 -12.179 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.453 18.601 -12.011 1.00 0.00 H new ATOM 857 N PHE A 57 26.388 17.658 -8.953 1.00 0.00 N ATOM 858 CA PHE A 57 25.918 17.077 -7.700 1.00 0.00 C ATOM 859 C PHE A 57 26.196 18.014 -6.528 1.00 0.00 C ATOM 860 O PHE A 57 25.411 18.096 -5.584 1.00 0.00 O ATOM 861 CB PHE A 57 26.590 15.724 -7.457 1.00 0.00 C ATOM 862 CG PHE A 57 26.078 14.631 -8.351 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.560 14.492 -9.643 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.115 13.743 -7.900 1.00 0.00 C ATOM 865 CE1 PHE A 57 26.090 13.488 -10.468 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.642 12.736 -8.721 1.00 0.00 C ATOM 867 CZ PHE A 57 25.131 12.608 -10.006 1.00 0.00 C ATOM 0 H PHE A 57 27.315 17.345 -9.241 1.00 0.00 H new ATOM 0 HA PHE A 57 24.841 16.931 -7.778 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.665 15.829 -7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.438 15.433 -6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.311 15.176 -10.009 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.729 13.838 -6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.472 13.392 -11.473 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.891 12.050 -8.358 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.764 11.821 -10.649 1.00 0.00 H new ATOM 877 N LYS A 58 27.321 18.719 -6.596 1.00 0.00 N ATOM 878 CA LYS A 58 27.704 19.651 -5.543 1.00 0.00 C ATOM 879 C LYS A 58 26.698 20.792 -5.433 1.00 0.00 C ATOM 880 O LYS A 58 26.491 21.350 -4.355 1.00 0.00 O ATOM 881 CB LYS A 58 29.101 20.213 -5.815 1.00 0.00 C ATOM 882 CG LYS A 58 29.993 19.271 -6.604 1.00 0.00 C ATOM 883 CD LYS A 58 29.891 17.844 -6.090 1.00 0.00 C ATOM 884 CE LYS A 58 31.198 17.089 -6.276 1.00 0.00 C ATOM 885 NZ LYS A 58 31.064 15.651 -5.914 1.00 0.00 N ATOM 0 H LYS A 58 27.983 18.662 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 58 27.715 19.108 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.006 21.152 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.582 20.444 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 58 29.713 19.300 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 58 31.027 19.609 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 58 29.623 17.855 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 58 29.091 17.323 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 58 31.522 17.174 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 58 31.973 17.547 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 31.976 15.171 -6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 30.780 15.569 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 30.343 15.207 -6.517 1.00 0.00 H new ATOM 899 N LYS A 59 26.073 21.134 -6.554 1.00 0.00 N ATOM 900 CA LYS A 59 25.086 22.206 -6.584 1.00 0.00 C ATOM 901 C LYS A 59 23.717 21.674 -6.996 1.00 0.00 C ATOM 902 O LYS A 59 23.588 20.575 -7.535 1.00 0.00 O ATOM 903 CB LYS A 59 25.528 23.308 -7.550 1.00 0.00 C ATOM 904 CG LYS A 59 26.491 22.826 -8.622 1.00 0.00 C ATOM 905 CD LYS A 59 26.420 23.695 -9.866 1.00 0.00 C ATOM 906 CE LYS A 59 25.452 23.123 -10.890 1.00 0.00 C ATOM 907 NZ LYS A 59 26.139 22.233 -11.867 1.00 0.00 N ATOM 0 H LYS A 59 26.233 20.683 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 59 25.008 22.622 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.647 23.734 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.001 24.109 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.508 22.834 -8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.258 21.794 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 59 26.107 24.702 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.412 23.780 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.670 22.564 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.963 23.939 -11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 25.505 21.452 -12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.389 22.778 -12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.004 21.847 -11.437 1.00 0.00 H new ATOM 921 N PRO A 60 22.669 22.471 -6.737 1.00 0.00 N ATOM 922 CA PRO A 60 21.291 22.102 -7.075 1.00 0.00 C ATOM 923 C PRO A 60 21.044 22.100 -8.579 1.00 0.00 C ATOM 924 O PRO A 60 21.812 22.662 -9.360 1.00 0.00 O ATOM 925 CB PRO A 60 20.456 23.190 -6.396 1.00 0.00 C ATOM 926 CG PRO A 60 21.371 24.361 -6.294 1.00 0.00 C ATOM 927 CD PRO A 60 22.749 23.794 -6.096 1.00 0.00 C ATOM 0 HA PRO A 60 21.047 21.092 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.568 23.431 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.112 22.869 -5.413 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.326 24.971 -7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.090 25.004 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.511 24.420 -6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.002 23.714 -5.039 1.00 0.00 H new ATOM 935 N PRO A 61 19.946 21.454 -8.998 1.00 0.00 N ATOM 936 CA PRO A 61 19.025 20.779 -8.079 1.00 0.00 C ATOM 937 C PRO A 61 19.640 19.532 -7.454 1.00 0.00 C ATOM 938 O PRO A 61 19.440 19.255 -6.270 1.00 0.00 O ATOM 939 CB PRO A 61 17.842 20.401 -8.974 1.00 0.00 C ATOM 940 CG PRO A 61 18.420 20.306 -10.344 1.00 0.00 C ATOM 941 CD PRO A 61 19.519 21.331 -10.402 1.00 0.00 C ATOM 0 HA PRO A 61 18.753 21.414 -7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.398 19.455 -8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.054 21.153 -8.928 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.809 19.306 -10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.662 20.503 -11.102 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.338 21.006 -11.044 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.161 22.282 -10.798 1.00 0.00 H new ATOM 949 N LEU A 62 20.388 18.782 -8.255 1.00 0.00 N ATOM 950 CA LEU A 62 21.034 17.563 -7.780 1.00 0.00 C ATOM 951 C LEU A 62 22.038 17.875 -6.674 1.00 0.00 C ATOM 952 O LEU A 62 23.158 18.310 -6.943 1.00 0.00 O ATOM 953 CB LEU A 62 21.738 16.851 -8.937 1.00 0.00 C ATOM 954 CG LEU A 62 20.912 16.661 -10.210 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.812 16.660 -11.435 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.107 15.372 -10.136 1.00 0.00 C ATOM 0 H LEU A 62 20.562 18.996 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 62 20.264 16.908 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.636 17.414 -9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.064 15.871 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 62 20.216 17.496 -10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.207 16.524 -12.331 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.343 17.610 -11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.532 15.846 -11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.525 15.253 -11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.785 14.526 -10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.433 15.412 -9.280 1.00 0.00 H new ATOM 968 N TYR A 63 21.629 17.648 -5.431 1.00 0.00 N ATOM 969 CA TYR A 63 22.492 17.904 -4.284 1.00 0.00 C ATOM 970 C TYR A 63 22.137 16.986 -3.119 1.00 0.00 C ATOM 971 O TYR A 63 20.965 16.812 -2.786 1.00 0.00 O ATOM 972 CB TYR A 63 22.377 19.366 -3.849 1.00 0.00 C ATOM 973 CG TYR A 63 23.318 19.740 -2.726 1.00 0.00 C ATOM 974 CD1 TYR A 63 24.694 19.756 -2.923 1.00 0.00 C ATOM 975 CD2 TYR A 63 22.832 20.075 -1.469 1.00 0.00 C ATOM 976 CE1 TYR A 63 25.558 20.096 -1.899 1.00 0.00 C ATOM 977 CE2 TYR A 63 23.689 20.418 -0.440 1.00 0.00 C ATOM 978 CZ TYR A 63 25.050 20.427 -0.660 1.00 0.00 C ATOM 979 OH TYR A 63 25.906 20.766 0.362 1.00 0.00 O ATOM 0 H TYR A 63 20.705 17.287 -5.192 1.00 0.00 H new ATOM 0 HA TYR A 63 23.520 17.700 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.576 20.008 -4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.352 19.563 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.095 19.498 -3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 63 21.767 20.067 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 63 26.625 20.102 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.294 20.678 0.531 1.00 0.00 H new ATOM 0 HH TYR A 63 25.388 20.973 1.168 1.00 0.00 H new ATOM 989 N ARG A 64 23.159 16.401 -2.502 1.00 0.00 N ATOM 990 CA ARG A 64 22.956 15.498 -1.375 1.00 0.00 C ATOM 991 C ARG A 64 21.836 14.504 -1.670 1.00 0.00 C ATOM 992 O ARG A 64 21.124 14.069 -0.764 1.00 0.00 O ATOM 993 CB ARG A 64 22.626 16.294 -0.111 1.00 0.00 C ATOM 994 CG ARG A 64 23.705 17.291 0.280 1.00 0.00 C ATOM 995 CD ARG A 64 23.388 17.964 1.606 1.00 0.00 C ATOM 996 NE ARG A 64 23.609 17.070 2.740 1.00 0.00 N ATOM 997 CZ ARG A 64 24.813 16.738 3.190 1.00 0.00 C ATOM 998 NH1 ARG A 64 25.900 17.224 2.606 1.00 0.00 N ATOM 999 NH2 ARG A 64 24.933 15.920 4.228 1.00 0.00 N ATOM 0 H ARG A 64 24.136 16.536 -2.764 1.00 0.00 H new ATOM 0 HA ARG A 64 23.880 14.941 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 64 21.688 16.828 -0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.468 15.600 0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.665 16.780 0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.803 18.047 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 64 24.009 18.853 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.350 18.298 1.604 1.00 0.00 H new ATOM 0 HE ARG A 64 22.793 16.679 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 64 25.812 17.855 1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 64 26.824 16.967 2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 64 24.099 15.545 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 64 25.859 15.666 4.573 1.00 0.00 H new ATOM 1013 N VAL A 65 21.686 14.149 -2.942 1.00 0.00 N ATOM 1014 CA VAL A 65 20.655 13.205 -3.356 1.00 0.00 C ATOM 1015 C VAL A 65 21.110 11.766 -3.142 1.00 0.00 C ATOM 1016 O VAL A 65 20.317 10.903 -2.766 1.00 0.00 O ATOM 1017 CB VAL A 65 20.279 13.399 -4.837 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.113 12.497 -5.214 1.00 0.00 C ATOM 1019 CG2 VAL A 65 19.948 14.857 -5.116 1.00 0.00 C ATOM 0 H VAL A 65 22.266 14.501 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 65 19.779 13.401 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 65 21.136 13.121 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 65 18.861 12.648 -6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.392 11.456 -5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.249 12.741 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 65 19.685 14.976 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.107 15.165 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 65 20.815 15.477 -4.887 1.00 0.00 H new ATOM 1029 N SER A 66 22.392 11.514 -3.384 1.00 0.00 N ATOM 1030 CA SER A 66 22.953 10.178 -3.221 1.00 0.00 C ATOM 1031 C SER A 66 23.995 10.158 -2.107 1.00 0.00 C ATOM 1032 O SER A 66 24.497 11.202 -1.692 1.00 0.00 O ATOM 1033 CB SER A 66 23.583 9.703 -4.532 1.00 0.00 C ATOM 1034 OG SER A 66 24.400 8.565 -4.322 1.00 0.00 O ATOM 0 H SER A 66 23.062 12.218 -3.694 1.00 0.00 H new ATOM 0 HA SER A 66 22.143 9.502 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.799 9.464 -5.250 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.178 10.507 -4.965 1.00 0.00 H new ATOM 0 HG SER A 66 24.789 8.280 -5.175 1.00 0.00 H new ATOM 1040 N SER A 67 24.315 8.961 -1.626 1.00 0.00 N ATOM 1041 CA SER A 67 25.295 8.803 -0.558 1.00 0.00 C ATOM 1042 C SER A 67 26.690 8.575 -1.130 1.00 0.00 C ATOM 1043 O SER A 67 27.687 9.023 -0.562 1.00 0.00 O ATOM 1044 CB SER A 67 24.906 7.635 0.351 1.00 0.00 C ATOM 1045 OG SER A 67 25.786 7.534 1.457 1.00 0.00 O ATOM 0 H SER A 67 23.910 8.086 -1.959 1.00 0.00 H new ATOM 0 HA SER A 67 25.308 9.722 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.885 7.771 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 67 24.924 6.706 -0.218 1.00 0.00 H new ATOM 0 HG SER A 67 25.515 6.781 2.023 1.00 0.00 H new ATOM 1051 N ASP A 68 26.754 7.875 -2.257 1.00 0.00 N ATOM 1052 CA ASP A 68 28.026 7.587 -2.908 1.00 0.00 C ATOM 1053 C ASP A 68 28.479 8.768 -3.761 1.00 0.00 C ATOM 1054 O ASP A 68 29.074 8.588 -4.823 1.00 0.00 O ATOM 1055 CB ASP A 68 27.909 6.332 -3.774 1.00 0.00 C ATOM 1056 CG ASP A 68 29.255 5.693 -4.054 1.00 0.00 C ATOM 1057 OD1 ASP A 68 30.198 6.429 -4.412 1.00 0.00 O ATOM 1058 OD2 ASP A 68 29.365 4.457 -3.915 1.00 0.00 O ATOM 0 H ASP A 68 25.939 7.496 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 68 28.772 7.414 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 68 27.264 5.609 -3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.429 6.589 -4.718 1.00 0.00 H new ATOM 1063 N ASN A 69 28.192 9.977 -3.289 1.00 0.00 N ATOM 1064 CA ASN A 69 28.567 11.188 -4.010 1.00 0.00 C ATOM 1065 C ASN A 69 28.017 11.167 -5.433 1.00 0.00 C ATOM 1066 O ASN A 69 28.685 11.592 -6.374 1.00 0.00 O ATOM 1067 CB ASN A 69 30.090 11.337 -4.042 1.00 0.00 C ATOM 1068 CG ASN A 69 30.683 11.505 -2.657 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.312 12.417 -1.917 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.611 10.625 -2.300 1.00 0.00 N ATOM 0 H ASN A 69 27.701 10.144 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 69 28.136 12.041 -3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.528 10.460 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.355 12.198 -4.655 1.00 0.00 H new ATOM 0 HD21 ASN A 69 32.047 10.689 -1.380 1.00 0.00 H new ATOM 0 HD22 ASN A 69 31.888 9.885 -2.946 1.00 0.00 H new ATOM 1077 N GLY A 70 26.793 10.668 -5.581 1.00 0.00 N ATOM 1078 CA GLY A 70 26.173 10.601 -6.891 1.00 0.00 C ATOM 1079 C GLY A 70 26.967 9.752 -7.865 1.00 0.00 C ATOM 1080 O GLY A 70 27.065 10.082 -9.047 1.00 0.00 O ATOM 0 H GLY A 70 26.220 10.309 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.167 10.192 -6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.070 11.609 -7.293 1.00 0.00 H new ATOM 1084 N GLN A 71 27.536 8.659 -7.368 1.00 0.00 N ATOM 1085 CA GLN A 71 28.327 7.763 -8.203 1.00 0.00 C ATOM 1086 C GLN A 71 27.428 6.814 -8.988 1.00 0.00 C ATOM 1087 O GLN A 71 27.605 6.630 -10.193 1.00 0.00 O ATOM 1088 CB GLN A 71 29.306 6.962 -7.342 1.00 0.00 C ATOM 1089 CG GLN A 71 29.866 5.734 -8.042 1.00 0.00 C ATOM 1090 CD GLN A 71 30.892 6.084 -9.102 1.00 0.00 C ATOM 1091 OE1 GLN A 71 30.456 6.791 -10.138 1.00 0.00 O flip ATOM 1092 NE2 GLN A 71 32.064 5.723 -8.991 1.00 0.00 N flip ATOM 0 H GLN A 71 27.464 8.372 -6.392 1.00 0.00 H new ATOM 0 HA GLN A 71 28.890 8.370 -8.912 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.131 7.610 -7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.802 6.651 -6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.323 5.076 -7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.049 5.178 -8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 71 32.356 5.181 -8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 71 32.743 5.966 -9.712 1.00 0.00 H new ATOM 1101 N ARG A 72 26.462 6.215 -8.299 1.00 0.00 N ATOM 1102 CA ARG A 72 25.537 5.283 -8.932 1.00 0.00 C ATOM 1103 C ARG A 72 24.946 5.884 -10.204 1.00 0.00 C ATOM 1104 O ARG A 72 24.928 5.243 -11.256 1.00 0.00 O ATOM 1105 CB ARG A 72 24.414 4.909 -7.963 1.00 0.00 C ATOM 1106 CG ARG A 72 23.378 3.972 -8.563 1.00 0.00 C ATOM 1107 CD ARG A 72 22.641 3.193 -7.485 1.00 0.00 C ATOM 1108 NE ARG A 72 23.510 2.229 -6.815 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.205 1.641 -5.664 1.00 0.00 C ATOM 1110 NH1 ARG A 72 22.059 1.917 -5.058 1.00 0.00 N ATOM 1111 NH2 ARG A 72 24.048 0.774 -5.117 1.00 0.00 N ATOM 0 H ARG A 72 26.300 6.359 -7.302 1.00 0.00 H new ATOM 0 HA ARG A 72 26.092 4.384 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.849 4.439 -7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.917 5.819 -7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.663 4.547 -9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.867 3.277 -9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.235 3.887 -6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.795 2.670 -7.930 1.00 0.00 H new ATOM 0 HE ARG A 72 24.400 1.995 -7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.409 2.583 -5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.827 1.464 -4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.931 0.559 -5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.813 0.323 -4.233 1.00 0.00 H new ATOM 1125 N LEU A 73 24.463 7.117 -10.101 1.00 0.00 N ATOM 1126 CA LEU A 73 23.869 7.804 -11.243 1.00 0.00 C ATOM 1127 C LEU A 73 24.909 8.053 -12.330 1.00 0.00 C ATOM 1128 O LEU A 73 24.768 7.580 -13.459 1.00 0.00 O ATOM 1129 CB LEU A 73 23.251 9.131 -10.799 1.00 0.00 C ATOM 1130 CG LEU A 73 22.503 9.917 -11.877 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.342 9.102 -12.423 1.00 0.00 C ATOM 1132 CD2 LEU A 73 22.011 11.246 -11.323 1.00 0.00 C ATOM 0 H LEU A 73 24.471 7.662 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 73 23.087 7.165 -11.654 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.561 8.931 -9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.045 9.763 -10.401 1.00 0.00 H new ATOM 0 HG LEU A 73 23.193 10.121 -12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.822 9.677 -13.189 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.720 8.177 -12.858 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.651 8.866 -11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.481 11.792 -12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.337 11.064 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.862 11.835 -10.982 1.00 0.00 H new ATOM 1144 N LEU A 74 25.954 8.795 -11.983 1.00 0.00 N ATOM 1145 CA LEU A 74 27.021 9.106 -12.929 1.00 0.00 C ATOM 1146 C LEU A 74 27.386 7.879 -13.759 1.00 0.00 C ATOM 1147 O LEU A 74 27.619 7.980 -14.964 1.00 0.00 O ATOM 1148 CB LEU A 74 28.255 9.619 -12.186 1.00 0.00 C ATOM 1149 CG LEU A 74 28.224 11.089 -11.768 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.473 11.446 -10.977 1.00 0.00 C ATOM 1151 CD2 LEU A 74 28.089 11.988 -12.988 1.00 0.00 C ATOM 0 H LEU A 74 26.086 9.193 -11.053 1.00 0.00 H new ATOM 0 HA LEU A 74 26.661 9.884 -13.602 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.395 9.011 -11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.128 9.461 -12.819 1.00 0.00 H new ATOM 0 HG LEU A 74 27.356 11.246 -11.128 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.433 12.496 -10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.527 10.825 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.356 11.272 -11.593 1.00 0.00 H new ATOM 0 HD21 LEU A 74 28.069 13.031 -12.671 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.937 11.828 -13.654 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.165 11.751 -13.514 1.00 0.00 H new ATOM 1163 N ASP A 75 27.432 6.723 -13.108 1.00 0.00 N ATOM 1164 CA ASP A 75 27.765 5.476 -13.786 1.00 0.00 C ATOM 1165 C ASP A 75 26.622 5.028 -14.693 1.00 0.00 C ATOM 1166 O ASP A 75 26.850 4.537 -15.798 1.00 0.00 O ATOM 1167 CB ASP A 75 28.080 4.382 -12.764 1.00 0.00 C ATOM 1168 CG ASP A 75 29.085 3.374 -13.287 1.00 0.00 C ATOM 1169 OD1 ASP A 75 28.962 2.968 -14.461 1.00 0.00 O ATOM 1170 OD2 ASP A 75 29.993 2.989 -12.520 1.00 0.00 O ATOM 0 H ASP A 75 27.243 6.623 -12.111 1.00 0.00 H new ATOM 0 HA ASP A 75 28.647 5.651 -14.402 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.468 4.840 -11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.159 3.866 -12.493 1.00 0.00 H new ATOM 1175 N MET A 76 25.394 5.201 -14.216 1.00 0.00 N ATOM 1176 CA MET A 76 24.215 4.815 -14.984 1.00 0.00 C ATOM 1177 C MET A 76 24.084 5.667 -16.242 1.00 0.00 C ATOM 1178 O MET A 76 23.518 5.227 -17.244 1.00 0.00 O ATOM 1179 CB MET A 76 22.955 4.952 -14.127 1.00 0.00 C ATOM 1180 CG MET A 76 22.789 3.837 -13.108 1.00 0.00 C ATOM 1181 SD MET A 76 22.847 2.197 -13.856 1.00 0.00 S ATOM 1182 CE MET A 76 21.469 2.296 -14.995 1.00 0.00 C ATOM 0 H MET A 76 25.189 5.605 -13.302 1.00 0.00 H new ATOM 0 HA MET A 76 24.331 3.773 -15.283 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.983 5.909 -13.605 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.082 4.970 -14.779 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.574 3.917 -12.356 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.838 3.962 -12.590 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.046 1.302 -15.142 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.706 2.958 -14.586 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.815 2.688 -15.951 1.00 0.00 H new ATOM 1192 N ILE A 77 24.610 6.886 -16.184 1.00 0.00 N ATOM 1193 CA ILE A 77 24.551 7.797 -17.320 1.00 0.00 C ATOM 1194 C ILE A 77 25.737 7.587 -18.256 1.00 0.00 C ATOM 1195 O ILE A 77 25.573 7.512 -19.473 1.00 0.00 O ATOM 1196 CB ILE A 77 24.528 9.267 -16.861 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.348 9.512 -15.918 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.453 10.196 -18.064 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.323 10.905 -15.330 1.00 0.00 C ATOM 0 H ILE A 77 25.081 7.265 -15.363 1.00 0.00 H new ATOM 0 HA ILE A 77 23.627 7.576 -17.854 1.00 0.00 H new ATOM 0 HB ILE A 77 25.451 9.478 -16.320 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.418 9.339 -16.460 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.385 8.785 -15.107 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.437 11.231 -17.724 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.323 10.037 -18.702 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.545 9.986 -18.630 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.460 11.007 -14.672 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.236 11.076 -14.760 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.255 11.638 -16.134 1.00 0.00 H new ATOM 1211 N GLU A 78 26.930 7.490 -17.678 1.00 0.00 N ATOM 1212 CA GLU A 78 28.143 7.285 -18.461 1.00 0.00 C ATOM 1213 C GLU A 78 27.886 6.327 -19.621 1.00 0.00 C ATOM 1214 O GLU A 78 28.455 6.477 -20.703 1.00 0.00 O ATOM 1215 CB GLU A 78 29.263 6.740 -17.573 1.00 0.00 C ATOM 1216 CG GLU A 78 30.654 7.143 -18.032 1.00 0.00 C ATOM 1217 CD GLU A 78 31.724 6.168 -17.580 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.450 4.949 -17.573 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.834 6.622 -17.233 1.00 0.00 O ATOM 0 H GLU A 78 27.082 7.550 -16.671 1.00 0.00 H new ATOM 0 HA GLU A 78 28.449 8.248 -18.869 1.00 0.00 H new ATOM 0 HB2 GLU A 78 29.110 7.092 -16.553 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.199 5.652 -17.548 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.667 7.212 -19.120 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.886 8.136 -17.646 1.00 0.00 H new ATOM 1226 N THR A 79 27.025 5.341 -19.387 1.00 0.00 N ATOM 1227 CA THR A 79 26.694 4.358 -20.410 1.00 0.00 C ATOM 1228 C THR A 79 25.782 4.958 -21.475 1.00 0.00 C ATOM 1229 O THR A 79 25.956 4.708 -22.668 1.00 0.00 O ATOM 1230 CB THR A 79 26.007 3.121 -19.800 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.178 1.991 -20.662 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.524 3.379 -19.581 1.00 0.00 C ATOM 0 H THR A 79 26.545 5.203 -18.498 1.00 0.00 H new ATOM 0 HA THR A 79 27.634 4.053 -20.870 1.00 0.00 H new ATOM 0 HB THR A 79 26.470 2.914 -18.835 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.740 1.209 -20.267 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.060 2.492 -19.150 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.398 4.221 -18.901 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.050 3.609 -20.535 1.00 0.00 H new ATOM 1240 N LEU A 80 24.810 5.750 -21.036 1.00 0.00 N ATOM 1241 CA LEU A 80 23.871 6.387 -21.952 1.00 0.00 C ATOM 1242 C LEU A 80 24.609 7.150 -23.047 1.00 0.00 C ATOM 1243 O LEU A 80 24.065 7.396 -24.123 1.00 0.00 O ATOM 1244 CB LEU A 80 22.947 7.337 -21.187 1.00 0.00 C ATOM 1245 CG LEU A 80 22.147 6.718 -20.041 1.00 0.00 C ATOM 1246 CD1 LEU A 80 21.171 7.731 -19.463 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.409 5.475 -20.517 1.00 0.00 C ATOM 0 H LEU A 80 24.652 5.966 -20.052 1.00 0.00 H new ATOM 0 HA LEU A 80 23.273 5.606 -22.420 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.549 8.151 -20.784 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.246 7.779 -21.895 1.00 0.00 H new ATOM 0 HG LEU A 80 22.842 6.425 -19.254 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.610 7.272 -18.648 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.722 8.592 -19.085 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.480 8.056 -20.241 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.845 5.047 -19.688 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.725 5.744 -21.322 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.128 4.742 -20.882 1.00 0.00 H new ATOM 1259 N LYS A 81 25.854 7.520 -22.766 1.00 0.00 N ATOM 1260 CA LYS A 81 26.670 8.252 -23.727 1.00 0.00 C ATOM 1261 C LYS A 81 27.489 7.295 -24.588 1.00 0.00 C ATOM 1262 O LYS A 81 27.380 7.300 -25.813 1.00 0.00 O ATOM 1263 CB LYS A 81 27.602 9.224 -23.000 1.00 0.00 C ATOM 1264 CG LYS A 81 26.883 10.413 -22.387 1.00 0.00 C ATOM 1265 CD LYS A 81 26.501 10.149 -20.940 1.00 0.00 C ATOM 1266 CE LYS A 81 27.629 10.521 -19.989 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.147 11.891 -20.253 1.00 0.00 N ATOM 0 H LYS A 81 26.320 7.325 -21.880 1.00 0.00 H new ATOM 0 HA LYS A 81 26.001 8.816 -24.377 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.132 8.686 -22.214 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.354 9.587 -23.701 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.523 11.293 -22.440 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.987 10.635 -22.966 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.608 10.721 -20.688 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.251 9.096 -20.815 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.272 10.459 -18.961 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.441 9.800 -20.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.680 12.226 -19.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.773 11.872 -21.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.350 12.534 -20.435 1.00 0.00 H new ATOM 1281 N MET A 82 28.306 6.474 -23.937 1.00 0.00 N ATOM 1282 CA MET A 82 29.141 5.509 -24.644 1.00 0.00 C ATOM 1283 C MET A 82 28.431 4.984 -25.888 1.00 0.00 C ATOM 1284 O MET A 82 29.069 4.685 -26.897 1.00 0.00 O ATOM 1285 CB MET A 82 29.506 4.345 -23.721 1.00 0.00 C ATOM 1286 CG MET A 82 28.546 3.170 -23.815 1.00 0.00 C ATOM 1287 SD MET A 82 29.131 1.721 -22.915 1.00 0.00 S ATOM 1288 CE MET A 82 30.004 2.496 -21.557 1.00 0.00 C ATOM 0 H MET A 82 28.408 6.457 -22.922 1.00 0.00 H new ATOM 0 HA MET A 82 30.054 6.016 -24.955 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.512 4.002 -23.963 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.530 4.702 -22.692 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.574 3.468 -23.423 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.400 2.908 -24.863 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.224 1.750 -20.793 1.00 0.00 H new ATOM 0 HE2 MET A 82 30.936 2.927 -21.922 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.384 3.283 -21.128 1.00 0.00 H new