USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 959 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 99 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 101 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00949) USER MOD Single : A 13 THR OG1 : rot -23:sc= 0.123 USER MOD Single : A 17 THR OG1 : rot 77:sc= 0.013 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.307 K(o=0.31,f=-5.7!) USER MOD Single : A 38 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.5) USER MOD Single : A 39 CYS SG : rot 16:sc= 0.439 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.88 USER MOD Single : A 45 ASN : amide:sc= -1.37! C(o=-1.4!,f=-2.8!) USER MOD Single : A 49 CYS SG : rot 46:sc= 0.21 USER MOD Single : A 52 CYS SG : rot 164:sc= 0.0554 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -171:sc= 0 (180deg=-0.0844) USER MOD Single : A 61 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 64 CYS SG : rot 105:sc= -4.4! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 64:sc= 0.586 USER MOD Single : A 70 HIS : no HE2:sc= 0.682 K(o=0.68,f=-2.4!) USER MOD Single : A 74 THR OG1 : rot -82:sc= 1.3 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 81 GLN : amide:sc= 0.906 K(o=0.91,f=-5.9!) USER MOD Single : A 84 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.037) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= 0.0825 USER MOD Single : A 108 CYS SG : rot 180:sc= -0.171 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.406 K(o=0.41,f=-3.4!) USER MOD Single : A 124 MET CE :methyl 163:sc=-0.00051 (180deg=-0.525) USER MOD Single : A 128 ASN : amide:sc= 1.02 K(o=1,f=-0.37) USER MOD Single : A 133 MET CE :methyl 173:sc= 0 (180deg=-0.0596) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 191 N THR A 13 12.002 7.922 -27.715 1.00 0.00 N ATOM 192 CA THR A 13 10.670 8.354 -27.238 1.00 0.00 C ATOM 193 C THR A 13 10.099 7.466 -26.132 1.00 0.00 C ATOM 194 O THR A 13 9.453 7.976 -25.220 1.00 0.00 O ATOM 195 CB THR A 13 9.675 8.420 -28.404 1.00 0.00 C ATOM 196 OG1 THR A 13 9.621 7.163 -29.050 1.00 0.00 O ATOM 197 CG2 THR A 13 10.087 9.479 -29.430 1.00 0.00 C ATOM 0 HA THR A 13 10.815 9.345 -26.809 1.00 0.00 H new ATOM 0 HB THR A 13 8.700 8.686 -27.997 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.447 6.667 -28.870 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.361 9.500 -30.243 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.122 10.457 -28.950 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.072 9.235 -29.829 1.00 0.00 H new ATOM 205 N PHE A 14 10.387 6.161 -26.168 1.00 0.00 N ATOM 206 CA PHE A 14 10.025 5.212 -25.110 1.00 0.00 C ATOM 207 C PHE A 14 10.747 5.525 -23.793 1.00 0.00 C ATOM 208 O PHE A 14 10.108 5.711 -22.759 1.00 0.00 O ATOM 209 CB PHE A 14 10.348 3.791 -25.584 1.00 0.00 C ATOM 210 CG PHE A 14 9.692 2.716 -24.735 1.00 0.00 C ATOM 211 CD1 PHE A 14 10.316 2.262 -23.556 1.00 0.00 C ATOM 212 CD2 PHE A 14 8.441 2.187 -25.106 1.00 0.00 C ATOM 213 CE1 PHE A 14 9.694 1.285 -22.756 1.00 0.00 C ATOM 214 CE2 PHE A 14 7.815 1.217 -24.301 1.00 0.00 C ATOM 215 CZ PHE A 14 8.443 0.763 -23.128 1.00 0.00 C ATOM 0 H PHE A 14 10.886 5.728 -26.945 1.00 0.00 H new ATOM 0 HA PHE A 14 8.957 5.300 -24.912 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.024 3.677 -26.618 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.428 3.647 -25.571 1.00 0.00 H new ATOM 0 HD1 PHE A 14 11.275 2.665 -23.265 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.960 2.527 -26.011 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.178 0.936 -21.856 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.851 0.821 -24.585 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.965 0.014 -22.514 1.00 0.00 H new ATOM 225 N LEU A 15 12.083 5.623 -23.838 1.00 0.00 N ATOM 226 CA LEU A 15 12.931 5.987 -22.697 1.00 0.00 C ATOM 227 C LEU A 15 12.584 7.385 -22.173 1.00 0.00 C ATOM 228 O LEU A 15 12.580 7.600 -20.966 1.00 0.00 O ATOM 229 CB LEU A 15 14.405 5.889 -23.134 1.00 0.00 C ATOM 230 CG LEU A 15 15.418 6.351 -22.069 1.00 0.00 C ATOM 231 CD1 LEU A 15 15.408 5.452 -20.825 1.00 0.00 C ATOM 232 CD2 LEU A 15 16.829 6.378 -22.672 1.00 0.00 C ATOM 0 H LEU A 15 12.616 5.447 -24.690 1.00 0.00 H new ATOM 0 HA LEU A 15 12.756 5.298 -21.871 1.00 0.00 H new ATOM 0 HB2 LEU A 15 14.624 4.855 -23.401 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.545 6.487 -24.034 1.00 0.00 H new ATOM 0 HG LEU A 15 15.123 7.352 -21.753 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.139 5.819 -20.105 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.416 5.466 -20.374 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.662 4.432 -21.111 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.542 6.705 -21.915 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.097 5.379 -23.015 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.851 7.069 -23.515 1.00 0.00 H new ATOM 244 N ASP A 16 12.231 8.319 -23.053 1.00 0.00 N ATOM 245 CA ASP A 16 11.829 9.681 -22.670 1.00 0.00 C ATOM 246 C ASP A 16 10.560 9.720 -21.797 1.00 0.00 C ATOM 247 O ASP A 16 10.392 10.625 -20.974 1.00 0.00 O ATOM 248 CB ASP A 16 11.633 10.502 -23.943 1.00 0.00 C ATOM 249 CG ASP A 16 11.671 12.008 -23.648 1.00 0.00 C ATOM 250 OD1 ASP A 16 12.786 12.574 -23.558 1.00 0.00 O ATOM 251 OD2 ASP A 16 10.584 12.618 -23.512 1.00 0.00 O ATOM 0 H ASP A 16 12.214 8.157 -24.060 1.00 0.00 H new ATOM 0 HA ASP A 16 12.622 10.105 -22.054 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.411 10.251 -24.663 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.679 10.243 -24.402 1.00 0.00 H new ATOM 256 N THR A 17 9.707 8.695 -21.932 1.00 0.00 N ATOM 257 CA THR A 17 8.539 8.460 -21.065 1.00 0.00 C ATOM 258 C THR A 17 8.961 7.902 -19.707 1.00 0.00 C ATOM 259 O THR A 17 8.303 8.173 -18.710 1.00 0.00 O ATOM 260 CB THR A 17 7.502 7.566 -21.763 1.00 0.00 C ATOM 261 OG1 THR A 17 7.070 8.242 -22.927 1.00 0.00 O ATOM 262 CG2 THR A 17 6.258 7.299 -20.909 1.00 0.00 C ATOM 0 H THR A 17 9.810 7.990 -22.662 1.00 0.00 H new ATOM 0 HA THR A 17 8.058 9.420 -20.878 1.00 0.00 H new ATOM 0 HB THR A 17 7.981 6.608 -21.966 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.755 8.164 -23.624 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.567 6.662 -21.461 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.551 6.801 -19.985 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.769 8.244 -20.672 1.00 0.00 H new ATOM 270 N ILE A 18 10.083 7.184 -19.626 1.00 0.00 N ATOM 271 CA ILE A 18 10.649 6.700 -18.352 1.00 0.00 C ATOM 272 C ILE A 18 11.372 7.832 -17.616 1.00 0.00 C ATOM 273 O ILE A 18 11.190 7.998 -16.413 1.00 0.00 O ATOM 274 CB ILE A 18 11.584 5.490 -18.588 1.00 0.00 C ATOM 275 CG1 ILE A 18 11.003 4.452 -19.575 1.00 0.00 C ATOM 276 CG2 ILE A 18 11.950 4.820 -17.252 1.00 0.00 C ATOM 277 CD1 ILE A 18 9.626 3.876 -19.217 1.00 0.00 C ATOM 0 H ILE A 18 10.632 6.917 -20.443 1.00 0.00 H new ATOM 0 HA ILE A 18 9.829 6.363 -17.718 1.00 0.00 H new ATOM 0 HB ILE A 18 12.487 5.885 -19.053 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.936 4.915 -20.559 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.709 3.626 -19.659 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.608 3.971 -17.439 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.459 5.540 -16.611 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.042 4.473 -16.758 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.321 3.160 -19.980 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.681 3.375 -18.251 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.896 4.684 -19.165 1.00 0.00 H new ATOM 289 N ILE A 19 12.132 8.662 -18.334 1.00 0.00 N ATOM 290 CA ILE A 19 12.837 9.828 -17.772 1.00 0.00 C ATOM 291 C ILE A 19 11.849 10.765 -17.062 1.00 0.00 C ATOM 292 O ILE A 19 12.069 11.112 -15.901 1.00 0.00 O ATOM 293 CB ILE A 19 13.668 10.526 -18.880 1.00 0.00 C ATOM 294 CG1 ILE A 19 14.843 9.612 -19.311 1.00 0.00 C ATOM 295 CG2 ILE A 19 14.207 11.889 -18.400 1.00 0.00 C ATOM 296 CD1 ILE A 19 15.542 10.046 -20.606 1.00 0.00 C ATOM 0 H ILE A 19 12.280 8.546 -19.336 1.00 0.00 H new ATOM 0 HA ILE A 19 13.544 9.503 -17.008 1.00 0.00 H new ATOM 0 HB ILE A 19 13.015 10.704 -19.734 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.579 9.584 -18.507 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.469 8.596 -19.437 1.00 0.00 H new ATOM 0 HG21 ILE A 19 14.785 12.353 -19.199 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.372 12.537 -18.133 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.845 11.742 -17.529 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.351 9.352 -20.833 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.823 10.046 -21.425 1.00 0.00 H new ATOM 0 HD13 ILE A 19 15.950 11.049 -20.481 1.00 0.00 H new ATOM 308 N ARG A 20 10.723 11.116 -17.700 1.00 0.00 N ATOM 309 CA ARG A 20 9.719 12.005 -17.095 1.00 0.00 C ATOM 310 C ARG A 20 8.990 11.397 -15.879 1.00 0.00 C ATOM 311 O ARG A 20 8.523 12.148 -15.023 1.00 0.00 O ATOM 312 CB ARG A 20 8.743 12.528 -18.162 1.00 0.00 C ATOM 313 CG ARG A 20 7.815 11.438 -18.714 1.00 0.00 C ATOM 314 CD ARG A 20 6.893 11.922 -19.837 1.00 0.00 C ATOM 315 NE ARG A 20 7.616 12.134 -21.107 1.00 0.00 N ATOM 316 CZ ARG A 20 7.051 12.444 -22.270 1.00 0.00 C ATOM 317 NH1 ARG A 20 5.748 12.598 -22.397 1.00 0.00 N ATOM 318 NH2 ARG A 20 7.796 12.614 -23.337 1.00 0.00 N ATOM 0 H ARG A 20 10.484 10.797 -18.639 1.00 0.00 H new ATOM 0 HA ARG A 20 10.267 12.854 -16.686 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.139 13.328 -17.733 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.311 12.963 -18.984 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.421 10.611 -19.085 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.206 11.046 -17.900 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.099 11.191 -19.992 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.415 12.854 -19.535 1.00 0.00 H new ATOM 0 HE ARG A 20 8.631 12.035 -21.091 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.139 12.479 -21.587 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.349 12.836 -23.305 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.809 12.508 -23.274 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.362 12.852 -24.229 1.00 0.00 H new ATOM 332 N LYS A 21 8.918 10.062 -15.750 1.00 0.00 N ATOM 333 CA LYS A 21 8.426 9.388 -14.536 1.00 0.00 C ATOM 334 C LYS A 21 9.456 9.404 -13.391 1.00 0.00 C ATOM 335 O LYS A 21 9.072 9.474 -12.224 1.00 0.00 O ATOM 336 CB LYS A 21 8.087 7.932 -14.887 1.00 0.00 C ATOM 337 CG LYS A 21 6.848 7.806 -15.788 1.00 0.00 C ATOM 338 CD LYS A 21 6.744 6.418 -16.440 1.00 0.00 C ATOM 339 CE LYS A 21 6.767 5.247 -15.448 1.00 0.00 C ATOM 340 NZ LYS A 21 5.471 5.078 -14.732 1.00 0.00 N ATOM 0 H LYS A 21 9.201 9.417 -16.488 1.00 0.00 H new ATOM 0 HA LYS A 21 7.546 9.929 -14.188 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.941 7.476 -15.387 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.920 7.372 -13.967 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.951 7.997 -15.199 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.887 8.569 -16.565 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.821 6.370 -17.018 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.568 6.298 -17.144 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.005 4.327 -15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.562 5.408 -14.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.540 4.275 -14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.253 5.944 -14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.714 4.897 -15.422 1.00 0.00 H new ATOM 354 N PHE A 22 10.753 9.339 -13.718 1.00 0.00 N ATOM 355 CA PHE A 22 11.859 9.429 -12.757 1.00 0.00 C ATOM 356 C PHE A 22 12.100 10.876 -12.293 1.00 0.00 C ATOM 357 O PHE A 22 12.466 11.089 -11.135 1.00 0.00 O ATOM 358 CB PHE A 22 13.130 8.818 -13.377 1.00 0.00 C ATOM 359 CG PHE A 22 13.287 7.320 -13.156 1.00 0.00 C ATOM 360 CD1 PHE A 22 12.343 6.410 -13.674 1.00 0.00 C ATOM 361 CD2 PHE A 22 14.386 6.831 -12.421 1.00 0.00 C ATOM 362 CE1 PHE A 22 12.500 5.028 -13.466 1.00 0.00 C ATOM 363 CE2 PHE A 22 14.541 5.448 -12.212 1.00 0.00 C ATOM 364 CZ PHE A 22 13.599 4.546 -12.735 1.00 0.00 C ATOM 0 H PHE A 22 11.069 9.220 -14.680 1.00 0.00 H new ATOM 0 HA PHE A 22 11.590 8.860 -11.867 1.00 0.00 H new ATOM 0 HB2 PHE A 22 13.126 9.015 -14.449 1.00 0.00 H new ATOM 0 HB3 PHE A 22 14.001 9.326 -12.963 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.495 6.776 -14.233 1.00 0.00 H new ATOM 0 HD2 PHE A 22 15.112 7.521 -12.017 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.775 4.336 -13.869 1.00 0.00 H new ATOM 0 HE2 PHE A 22 15.385 5.079 -11.649 1.00 0.00 H new ATOM 0 HZ PHE A 22 13.719 3.485 -12.575 1.00 0.00 H new ATOM 374 N GLU A 23 11.855 11.873 -13.151 1.00 0.00 N ATOM 375 CA GLU A 23 11.896 13.288 -12.757 1.00 0.00 C ATOM 376 C GLU A 23 10.814 13.609 -11.705 1.00 0.00 C ATOM 377 O GLU A 23 9.639 13.274 -11.877 1.00 0.00 O ATOM 378 CB GLU A 23 11.751 14.223 -13.970 1.00 0.00 C ATOM 379 CG GLU A 23 13.020 14.291 -14.828 1.00 0.00 C ATOM 380 CD GLU A 23 12.906 15.396 -15.889 1.00 0.00 C ATOM 381 OE1 GLU A 23 12.199 15.207 -16.908 1.00 0.00 O ATOM 382 OE2 GLU A 23 13.525 16.474 -15.710 1.00 0.00 O ATOM 0 H GLU A 23 11.624 11.724 -14.133 1.00 0.00 H new ATOM 0 HA GLU A 23 12.875 13.463 -12.311 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.919 13.883 -14.587 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.500 15.225 -13.622 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.884 14.480 -14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.187 13.330 -15.315 1.00 0.00 H new ATOM 424 N ARG A 27 8.668 11.152 -3.772 1.00 0.00 N ATOM 425 CA ARG A 27 7.579 10.656 -2.915 1.00 0.00 C ATOM 426 C ARG A 27 7.821 9.228 -2.399 1.00 0.00 C ATOM 427 O ARG A 27 8.785 8.550 -2.752 1.00 0.00 O ATOM 428 CB ARG A 27 6.232 10.726 -3.666 1.00 0.00 C ATOM 429 CG ARG A 27 5.890 12.064 -4.347 1.00 0.00 C ATOM 430 CD ARG A 27 5.884 13.268 -3.392 1.00 0.00 C ATOM 431 NE ARG A 27 4.652 14.062 -3.539 1.00 0.00 N ATOM 432 CZ ARG A 27 4.392 15.039 -4.395 1.00 0.00 C ATOM 433 NH1 ARG A 27 5.276 15.498 -5.258 1.00 0.00 N ATOM 434 NH2 ARG A 27 3.186 15.555 -4.369 1.00 0.00 N ATOM 0 HA ARG A 27 7.550 11.307 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.225 9.945 -4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.436 10.490 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.610 12.249 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.910 11.981 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.974 12.919 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.751 13.898 -3.592 1.00 0.00 H new ATOM 0 HE ARG A 27 3.897 13.828 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.214 15.098 -5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.022 16.253 -5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.494 15.202 -3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.940 16.309 -5.010 1.00 0.00 H new ATOM 448 N LYS A 28 6.891 8.739 -1.575 1.00 0.00 N ATOM 449 CA LYS A 28 6.905 7.391 -0.998 1.00 0.00 C ATOM 450 C LYS A 28 6.080 6.427 -1.867 1.00 0.00 C ATOM 451 O LYS A 28 4.953 6.747 -2.237 1.00 0.00 O ATOM 452 CB LYS A 28 6.339 7.452 0.435 1.00 0.00 C ATOM 453 CG LYS A 28 6.969 8.546 1.313 1.00 0.00 C ATOM 454 CD LYS A 28 6.052 9.781 1.430 1.00 0.00 C ATOM 455 CE LYS A 28 6.839 10.921 2.083 1.00 0.00 C ATOM 456 NZ LYS A 28 6.116 12.226 2.067 1.00 0.00 N ATOM 0 H LYS A 28 6.082 9.287 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 28 7.929 7.019 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.263 7.618 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.489 6.485 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.168 8.145 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.929 8.844 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.698 10.083 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.171 9.542 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.065 10.652 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.792 11.036 1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.703 12.953 2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.923 12.504 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.218 12.132 2.583 1.00 0.00 H new ATOM 470 N PHE A 29 6.609 5.238 -2.156 1.00 0.00 N ATOM 471 CA PHE A 29 5.928 4.191 -2.924 1.00 0.00 C ATOM 472 C PHE A 29 6.581 2.814 -2.760 1.00 0.00 C ATOM 473 O PHE A 29 7.743 2.703 -2.366 1.00 0.00 O ATOM 474 CB PHE A 29 5.834 4.590 -4.412 1.00 0.00 C ATOM 475 CG PHE A 29 7.173 4.805 -5.094 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.775 6.077 -5.068 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.827 3.735 -5.734 1.00 0.00 C ATOM 478 CE1 PHE A 29 9.037 6.270 -5.655 1.00 0.00 C ATOM 479 CE2 PHE A 29 9.084 3.933 -6.332 1.00 0.00 C ATOM 480 CZ PHE A 29 9.692 5.200 -6.289 1.00 0.00 C ATOM 0 H PHE A 29 7.546 4.968 -1.856 1.00 0.00 H new ATOM 0 HA PHE A 29 4.920 4.101 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.288 3.814 -4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.249 5.506 -4.493 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.267 6.905 -4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.362 2.761 -5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.505 7.243 -5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.583 3.111 -6.825 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.661 5.351 -6.742 1.00 0.00 H new ATOM 490 N ILE A 30 5.832 1.765 -3.104 1.00 0.00 N ATOM 491 CA ILE A 30 6.279 0.362 -3.163 1.00 0.00 C ATOM 492 C ILE A 30 5.685 -0.340 -4.389 1.00 0.00 C ATOM 493 O ILE A 30 4.674 0.102 -4.929 1.00 0.00 O ATOM 494 CB ILE A 30 5.938 -0.390 -1.850 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.418 -0.529 -1.620 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.577 0.297 -0.635 1.00 0.00 C ATOM 497 CD1 ILE A 30 4.085 -1.243 -0.307 1.00 0.00 C ATOM 0 H ILE A 30 4.851 1.870 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 30 7.364 0.351 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 30 6.353 -1.392 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.963 0.461 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.977 -1.080 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.320 -0.253 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.660 0.314 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.205 1.318 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.003 -1.314 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.515 -2.245 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.500 -0.680 0.529 1.00 0.00 H new ATOM 509 N ILE A 31 6.300 -1.433 -4.837 1.00 0.00 N ATOM 510 CA ILE A 31 5.878 -2.240 -5.990 1.00 0.00 C ATOM 511 C ILE A 31 5.553 -3.654 -5.511 1.00 0.00 C ATOM 512 O ILE A 31 6.358 -4.275 -4.815 1.00 0.00 O ATOM 513 CB ILE A 31 6.982 -2.295 -7.072 1.00 0.00 C ATOM 514 CG1 ILE A 31 7.520 -0.881 -7.407 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.456 -3.017 -8.334 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.623 -0.856 -8.470 1.00 0.00 C ATOM 0 H ILE A 31 7.141 -1.799 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 31 4.996 -1.779 -6.436 1.00 0.00 H new ATOM 0 HB ILE A 31 7.822 -2.867 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.690 -0.262 -7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.903 -0.426 -6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.242 -3.050 -9.089 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.159 -4.033 -8.075 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.595 -2.478 -8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.940 0.173 -8.642 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.473 -1.445 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.242 -1.278 -9.400 1.00 0.00 H new ATOM 528 N ALA A 32 4.415 -4.192 -5.941 1.00 0.00 N ATOM 529 CA ALA A 32 3.987 -5.554 -5.648 1.00 0.00 C ATOM 530 C ALA A 32 3.532 -6.287 -6.915 1.00 0.00 C ATOM 531 O ALA A 32 2.929 -5.693 -7.809 1.00 0.00 O ATOM 532 CB ALA A 32 2.888 -5.465 -4.593 1.00 0.00 C ATOM 0 H ALA A 32 3.749 -3.678 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 32 4.818 -6.145 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.539 -6.468 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.282 -4.986 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.056 -4.878 -4.982 1.00 0.00 H new ATOM 538 N ASN A 33 3.828 -7.585 -7.002 1.00 0.00 N ATOM 539 CA ASN A 33 3.448 -8.417 -8.137 1.00 0.00 C ATOM 540 C ASN A 33 1.934 -8.702 -8.146 1.00 0.00 C ATOM 541 O ASN A 33 1.403 -9.244 -7.178 1.00 0.00 O ATOM 542 CB ASN A 33 4.277 -9.705 -8.065 1.00 0.00 C ATOM 543 CG ASN A 33 4.325 -10.420 -9.403 1.00 0.00 C ATOM 544 OD1 ASN A 33 3.318 -10.598 -10.072 1.00 0.00 O ATOM 545 ND2 ASN A 33 5.510 -10.802 -9.830 1.00 0.00 N ATOM 0 H ASN A 33 4.342 -8.089 -6.279 1.00 0.00 H new ATOM 0 HA ASN A 33 3.655 -7.898 -9.073 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.291 -9.467 -7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.852 -10.369 -7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.602 -11.258 -10.738 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.336 -10.642 -9.253 1.00 0.00 H new ATOM 552 N ALA A 34 1.235 -8.368 -9.238 1.00 0.00 N ATOM 553 CA ALA A 34 -0.218 -8.571 -9.345 1.00 0.00 C ATOM 554 C ALA A 34 -0.599 -10.030 -9.667 1.00 0.00 C ATOM 555 O ALA A 34 -1.709 -10.464 -9.361 1.00 0.00 O ATOM 556 CB ALA A 34 -0.773 -7.606 -10.399 1.00 0.00 C ATOM 0 H ALA A 34 1.656 -7.952 -10.068 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.665 -8.360 -8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.850 -7.746 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.564 -6.579 -10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.300 -7.806 -11.360 1.00 0.00 H new ATOM 562 N ARG A 35 0.326 -10.823 -10.227 1.00 0.00 N ATOM 563 CA ARG A 35 0.111 -12.200 -10.724 1.00 0.00 C ATOM 564 C ARG A 35 0.015 -13.255 -9.591 1.00 0.00 C ATOM 565 O ARG A 35 0.416 -14.407 -9.763 1.00 0.00 O ATOM 566 CB ARG A 35 1.215 -12.547 -11.740 1.00 0.00 C ATOM 567 CG ARG A 35 1.216 -11.596 -12.953 1.00 0.00 C ATOM 568 CD ARG A 35 2.536 -11.660 -13.721 1.00 0.00 C ATOM 569 NE ARG A 35 2.854 -13.015 -14.213 1.00 0.00 N ATOM 570 CZ ARG A 35 2.432 -13.589 -15.336 1.00 0.00 C ATOM 571 NH1 ARG A 35 1.591 -12.998 -16.159 1.00 0.00 N ATOM 572 NH2 ARG A 35 2.865 -14.791 -15.647 1.00 0.00 N ATOM 0 H ARG A 35 1.289 -10.513 -10.354 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.860 -12.231 -11.217 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.186 -12.503 -11.247 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.079 -13.572 -12.085 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.394 -11.856 -13.620 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.041 -10.575 -12.615 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.491 -10.974 -14.567 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.343 -11.316 -13.074 1.00 0.00 H new ATOM 0 HE ARG A 35 3.469 -13.576 -13.623 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.239 -12.065 -15.945 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.292 -13.473 -17.011 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.518 -15.274 -15.029 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.548 -15.241 -16.506 1.00 0.00 H new ATOM 586 N VAL A 36 -0.442 -12.844 -8.403 1.00 0.00 N ATOM 587 CA VAL A 36 -0.363 -13.569 -7.118 1.00 0.00 C ATOM 588 C VAL A 36 -1.555 -13.147 -6.249 1.00 0.00 C ATOM 589 O VAL A 36 -1.865 -11.960 -6.193 1.00 0.00 O ATOM 590 CB VAL A 36 0.958 -13.260 -6.355 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.129 -14.205 -5.156 1.00 0.00 C ATOM 592 CG2 VAL A 36 2.230 -13.352 -7.217 1.00 0.00 C ATOM 0 H VAL A 36 -0.906 -11.942 -8.301 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.383 -14.639 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 36 0.852 -12.223 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.059 -13.971 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.290 -14.079 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.159 -15.236 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.102 -13.122 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.325 -14.361 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.165 -12.639 -8.039 1.00 0.00 H new ATOM 602 N GLU A 37 -2.209 -14.090 -5.561 1.00 0.00 N ATOM 603 CA GLU A 37 -3.422 -13.820 -4.767 1.00 0.00 C ATOM 604 C GLU A 37 -3.168 -12.852 -3.592 1.00 0.00 C ATOM 605 O GLU A 37 -3.981 -11.966 -3.323 1.00 0.00 O ATOM 606 CB GLU A 37 -3.991 -15.159 -4.267 1.00 0.00 C ATOM 607 CG GLU A 37 -5.364 -15.013 -3.598 1.00 0.00 C ATOM 608 CD GLU A 37 -5.942 -16.386 -3.228 1.00 0.00 C ATOM 609 OE1 GLU A 37 -5.651 -16.893 -2.118 1.00 0.00 O ATOM 610 OE2 GLU A 37 -6.699 -16.972 -4.039 1.00 0.00 O ATOM 0 H GLU A 37 -1.914 -15.066 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.146 -13.320 -5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.073 -15.849 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.292 -15.602 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.273 -14.399 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.048 -14.496 -4.271 1.00 0.00 H new ATOM 617 N ASN A 38 -2.025 -12.994 -2.907 1.00 0.00 N ATOM 618 CA ASN A 38 -1.628 -12.142 -1.775 1.00 0.00 C ATOM 619 C ASN A 38 -0.992 -10.792 -2.184 1.00 0.00 C ATOM 620 O ASN A 38 -0.877 -9.915 -1.333 1.00 0.00 O ATOM 621 CB ASN A 38 -0.697 -12.944 -0.844 1.00 0.00 C ATOM 622 CG ASN A 38 0.576 -13.437 -1.530 1.00 0.00 C ATOM 623 OD1 ASN A 38 1.347 -12.665 -2.082 1.00 0.00 O ATOM 624 ND2 ASN A 38 0.808 -14.736 -1.556 1.00 0.00 N ATOM 0 H ASN A 38 -1.338 -13.716 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.541 -11.864 -1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.423 -12.321 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.242 -13.801 -0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.632 -15.097 -2.037 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.164 -15.378 -1.095 1.00 0.00 H new ATOM 631 N CYS A 39 -0.566 -10.616 -3.447 1.00 0.00 N ATOM 632 CA CYS A 39 0.119 -9.414 -3.959 1.00 0.00 C ATOM 633 C CYS A 39 1.337 -8.989 -3.101 1.00 0.00 C ATOM 634 O CYS A 39 1.398 -7.866 -2.602 1.00 0.00 O ATOM 635 CB CYS A 39 -0.905 -8.278 -4.160 1.00 0.00 C ATOM 636 SG CYS A 39 -2.053 -8.700 -5.503 1.00 0.00 S ATOM 0 H CYS A 39 -0.693 -11.330 -4.164 1.00 0.00 H new ATOM 0 HA CYS A 39 0.550 -9.661 -4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.460 -8.111 -3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.387 -7.348 -4.393 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.968 -9.971 -5.763 1.00 0.00 H new ATOM 642 N ALA A 40 2.306 -9.890 -2.906 1.00 0.00 N ATOM 643 CA ALA A 40 3.513 -9.629 -2.112 1.00 0.00 C ATOM 644 C ALA A 40 4.340 -8.424 -2.627 1.00 0.00 C ATOM 645 O ALA A 40 4.552 -8.303 -3.836 1.00 0.00 O ATOM 646 CB ALA A 40 4.359 -10.910 -2.065 1.00 0.00 C ATOM 0 H ALA A 40 2.275 -10.831 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 40 3.200 -9.349 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.259 -10.730 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.780 -11.711 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.638 -11.199 -3.078 1.00 0.00 H new ATOM 652 N VAL A 41 4.858 -7.576 -1.720 1.00 0.00 N ATOM 653 CA VAL A 41 5.829 -6.506 -2.071 1.00 0.00 C ATOM 654 C VAL A 41 7.089 -7.142 -2.674 1.00 0.00 C ATOM 655 O VAL A 41 7.704 -8.008 -2.049 1.00 0.00 O ATOM 656 CB VAL A 41 6.241 -5.566 -0.895 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.010 -4.348 -1.413 1.00 0.00 C ATOM 658 CG2 VAL A 41 5.014 -5.055 -0.125 1.00 0.00 C ATOM 0 H VAL A 41 4.622 -7.607 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 41 5.311 -5.868 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 41 6.871 -6.158 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.286 -3.708 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.911 -4.679 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.381 -3.788 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.339 -4.404 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.367 -4.497 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.465 -5.901 0.287 1.00 0.00 H new ATOM 668 N ILE A 42 7.464 -6.702 -3.879 1.00 0.00 N ATOM 669 CA ILE A 42 8.704 -7.103 -4.577 1.00 0.00 C ATOM 670 C ILE A 42 9.776 -6.009 -4.549 1.00 0.00 C ATOM 671 O ILE A 42 10.954 -6.306 -4.758 1.00 0.00 O ATOM 672 CB ILE A 42 8.427 -7.530 -6.040 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.727 -6.440 -6.886 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.636 -8.844 -6.038 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.654 -6.774 -8.381 1.00 0.00 C ATOM 0 H ILE A 42 6.904 -6.040 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 42 9.089 -7.962 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 42 9.390 -7.681 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.716 -6.291 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.258 -5.497 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.437 -9.151 -7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.216 -9.617 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.692 -8.699 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.151 -5.965 -8.910 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.663 -6.894 -8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.097 -7.700 -8.520 1.00 0.00 H new ATOM 687 N TYR A 43 9.383 -4.762 -4.278 1.00 0.00 N ATOM 688 CA TYR A 43 10.291 -3.624 -4.165 1.00 0.00 C ATOM 689 C TYR A 43 9.695 -2.501 -3.307 1.00 0.00 C ATOM 690 O TYR A 43 8.499 -2.231 -3.369 1.00 0.00 O ATOM 691 CB TYR A 43 10.638 -3.106 -5.571 1.00 0.00 C ATOM 692 CG TYR A 43 11.872 -2.224 -5.599 1.00 0.00 C ATOM 693 CD1 TYR A 43 13.140 -2.781 -5.341 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.749 -0.839 -5.827 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.281 -1.957 -5.303 1.00 0.00 C ATOM 696 CE2 TYR A 43 12.887 -0.010 -5.797 1.00 0.00 C ATOM 697 CZ TYR A 43 14.158 -0.567 -5.528 1.00 0.00 C ATOM 698 OH TYR A 43 15.267 0.226 -5.486 1.00 0.00 O ATOM 0 H TYR A 43 8.405 -4.513 -4.129 1.00 0.00 H new ATOM 0 HA TYR A 43 11.200 -3.959 -3.665 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.793 -3.956 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.790 -2.545 -5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.237 -3.843 -5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.777 -0.411 -6.026 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.251 -2.387 -5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.789 1.050 -5.979 1.00 0.00 H new ATOM 0 HH TYR A 43 15.011 1.155 -5.663 1.00 0.00 H new ATOM 708 N CYS A 44 10.533 -1.801 -2.548 1.00 0.00 N ATOM 709 CA CYS A 44 10.163 -0.581 -1.811 1.00 0.00 C ATOM 710 C CYS A 44 11.082 0.590 -2.206 1.00 0.00 C ATOM 711 O CYS A 44 12.226 0.341 -2.586 1.00 0.00 O ATOM 712 CB CYS A 44 10.227 -0.845 -0.293 1.00 0.00 C ATOM 713 SG CYS A 44 9.492 -2.425 0.216 1.00 0.00 S ATOM 0 H CYS A 44 11.510 -2.065 -2.421 1.00 0.00 H new ATOM 0 HA CYS A 44 9.141 -0.306 -2.072 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.269 -0.822 0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.717 -0.035 0.228 1.00 0.00 H new ATOM 0 HG CYS A 44 9.595 -2.556 1.505 1.00 0.00 H new ATOM 719 N ASN A 45 10.629 1.845 -2.071 1.00 0.00 N ATOM 720 CA ASN A 45 11.507 3.021 -2.276 1.00 0.00 C ATOM 721 C ASN A 45 12.514 3.206 -1.101 1.00 0.00 C ATOM 722 O ASN A 45 12.886 2.236 -0.447 1.00 0.00 O ATOM 723 CB ASN A 45 10.650 4.281 -2.551 1.00 0.00 C ATOM 724 CG ASN A 45 11.450 5.405 -3.226 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.523 5.197 -3.775 1.00 0.00 O ATOM 726 ND2 ASN A 45 11.007 6.645 -3.139 1.00 0.00 N ATOM 0 H ASN A 45 9.667 2.078 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 45 12.124 2.850 -3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.806 4.010 -3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.238 4.648 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.557 7.412 -3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.114 6.837 -2.685 1.00 0.00 H new ATOM 733 N ASP A 46 12.923 4.439 -0.772 1.00 0.00 N ATOM 734 CA ASP A 46 13.592 4.792 0.495 1.00 0.00 C ATOM 735 C ASP A 46 12.759 5.758 1.365 1.00 0.00 C ATOM 736 O ASP A 46 12.917 5.776 2.587 1.00 0.00 O ATOM 737 CB ASP A 46 14.966 5.404 0.179 1.00 0.00 C ATOM 738 CG ASP A 46 15.928 4.377 -0.440 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.492 3.548 0.314 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.139 4.415 -1.677 1.00 0.00 O ATOM 0 H ASP A 46 12.797 5.240 -1.391 1.00 0.00 H new ATOM 0 HA ASP A 46 13.707 3.878 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.840 6.242 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.403 5.804 1.094 1.00 0.00 H new ATOM 745 N GLY A 47 11.827 6.520 0.769 1.00 0.00 N ATOM 746 CA GLY A 47 10.990 7.502 1.471 1.00 0.00 C ATOM 747 C GLY A 47 9.892 6.852 2.308 1.00 0.00 C ATOM 748 O GLY A 47 9.566 7.338 3.387 1.00 0.00 O ATOM 0 H GLY A 47 11.632 6.469 -0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.620 8.113 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.536 8.173 0.742 1.00 0.00 H new ATOM 752 N PHE A 48 9.357 5.718 1.832 1.00 0.00 N ATOM 753 CA PHE A 48 8.343 4.920 2.537 1.00 0.00 C ATOM 754 C PHE A 48 8.840 4.491 3.938 1.00 0.00 C ATOM 755 O PHE A 48 8.086 4.536 4.904 1.00 0.00 O ATOM 756 CB PHE A 48 7.950 3.704 1.657 1.00 0.00 C ATOM 757 CG PHE A 48 8.836 2.481 1.849 1.00 0.00 C ATOM 758 CD1 PHE A 48 10.200 2.520 1.494 1.00 0.00 C ATOM 759 CD2 PHE A 48 8.338 1.370 2.553 1.00 0.00 C ATOM 760 CE1 PHE A 48 11.073 1.513 1.948 1.00 0.00 C ATOM 761 CE2 PHE A 48 9.210 0.354 2.973 1.00 0.00 C ATOM 762 CZ PHE A 48 10.581 0.437 2.698 1.00 0.00 C ATOM 0 H PHE A 48 9.622 5.323 0.930 1.00 0.00 H new ATOM 0 HA PHE A 48 7.454 5.528 2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.918 3.429 1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.984 4.002 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.575 3.321 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.283 1.299 2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.126 1.570 1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.822 -0.498 3.512 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.255 -0.324 3.062 1.00 0.00 H new ATOM 772 N CYS A 49 10.133 4.149 4.056 1.00 0.00 N ATOM 773 CA CYS A 49 10.788 3.742 5.305 1.00 0.00 C ATOM 774 C CYS A 49 10.694 4.838 6.378 1.00 0.00 C ATOM 775 O CYS A 49 10.198 4.590 7.477 1.00 0.00 O ATOM 776 CB CYS A 49 12.235 3.348 4.965 1.00 0.00 C ATOM 777 SG CYS A 49 13.116 2.838 6.465 1.00 0.00 S ATOM 0 H CYS A 49 10.769 4.149 3.259 1.00 0.00 H new ATOM 0 HA CYS A 49 10.280 2.882 5.743 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.237 2.535 4.239 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.749 4.190 4.501 1.00 0.00 H new ATOM 0 HG CYS A 49 12.367 2.030 7.155 1.00 0.00 H new ATOM 783 N GLU A 50 11.086 6.066 6.029 1.00 0.00 N ATOM 784 CA GLU A 50 11.034 7.230 6.926 1.00 0.00 C ATOM 785 C GLU A 50 9.596 7.665 7.269 1.00 0.00 C ATOM 786 O GLU A 50 9.380 8.331 8.285 1.00 0.00 O ATOM 787 CB GLU A 50 11.799 8.407 6.300 1.00 0.00 C ATOM 788 CG GLU A 50 13.284 8.083 6.101 1.00 0.00 C ATOM 789 CD GLU A 50 14.075 9.340 5.712 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.090 9.709 4.513 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.693 9.973 6.603 1.00 0.00 O ATOM 0 H GLU A 50 11.454 6.286 5.103 1.00 0.00 H new ATOM 0 HA GLU A 50 11.505 6.928 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.351 8.661 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.701 9.284 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.694 7.661 7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.394 7.326 5.325 1.00 0.00 H new ATOM 798 N LEU A 51 8.608 7.271 6.453 1.00 0.00 N ATOM 799 CA LEU A 51 7.184 7.544 6.676 1.00 0.00 C ATOM 800 C LEU A 51 6.642 6.842 7.935 1.00 0.00 C ATOM 801 O LEU A 51 5.788 7.402 8.618 1.00 0.00 O ATOM 802 CB LEU A 51 6.387 7.109 5.421 1.00 0.00 C ATOM 803 CG LEU A 51 5.270 8.058 4.947 1.00 0.00 C ATOM 804 CD1 LEU A 51 4.389 7.322 3.928 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.367 8.600 6.054 1.00 0.00 C ATOM 0 H LEU A 51 8.783 6.741 5.599 1.00 0.00 H new ATOM 0 HA LEU A 51 7.063 8.614 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.091 6.976 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.943 6.134 5.621 1.00 0.00 H new ATOM 0 HG LEU A 51 5.782 8.920 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.595 7.986 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.996 7.015 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.949 6.441 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.614 9.257 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.875 7.770 6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.967 9.160 6.771 1.00 0.00 H new ATOM 817 N CYS A 52 7.117 5.629 8.251 1.00 0.00 N ATOM 818 CA CYS A 52 6.625 4.813 9.380 1.00 0.00 C ATOM 819 C CYS A 52 7.690 4.392 10.410 1.00 0.00 C ATOM 820 O CYS A 52 7.328 4.118 11.553 1.00 0.00 O ATOM 821 CB CYS A 52 5.917 3.581 8.795 1.00 0.00 C ATOM 822 SG CYS A 52 4.276 4.057 8.182 1.00 0.00 S ATOM 0 H CYS A 52 7.865 5.177 7.725 1.00 0.00 H new ATOM 0 HA CYS A 52 5.946 5.443 9.954 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.511 3.158 7.984 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.822 2.808 9.557 1.00 0.00 H new ATOM 0 HG CYS A 52 3.822 3.129 7.392 1.00 0.00 H new ATOM 828 N GLY A 53 8.975 4.326 10.047 1.00 0.00 N ATOM 829 CA GLY A 53 10.062 3.892 10.941 1.00 0.00 C ATOM 830 C GLY A 53 10.304 2.379 10.942 1.00 0.00 C ATOM 831 O GLY A 53 10.969 1.871 11.844 1.00 0.00 O ATOM 0 H GLY A 53 9.297 4.575 9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.983 4.396 10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.833 4.213 11.957 1.00 0.00 H new ATOM 835 N TYR A 54 9.769 1.656 9.949 1.00 0.00 N ATOM 836 CA TYR A 54 10.060 0.238 9.696 1.00 0.00 C ATOM 837 C TYR A 54 11.329 0.070 8.825 1.00 0.00 C ATOM 838 O TYR A 54 12.273 0.849 8.943 1.00 0.00 O ATOM 839 CB TYR A 54 8.779 -0.446 9.173 1.00 0.00 C ATOM 840 CG TYR A 54 7.985 0.209 8.050 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.610 0.911 7.000 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.581 0.077 8.052 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.833 1.481 5.974 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.805 0.633 7.017 1.00 0.00 C ATOM 845 CZ TYR A 54 6.429 1.346 5.973 1.00 0.00 C ATOM 846 OH TYR A 54 5.692 1.890 4.963 1.00 0.00 O ATOM 0 H TYR A 54 9.105 2.051 9.283 1.00 0.00 H new ATOM 0 HA TYR A 54 10.323 -0.284 10.616 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.056 -1.445 8.838 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.105 -0.570 10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.685 1.012 6.983 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.096 -0.456 8.856 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.317 2.028 5.179 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.732 0.513 7.023 1.00 0.00 H new ATOM 0 HH TYR A 54 4.742 1.704 5.115 1.00 0.00 H new ATOM 856 N SER A 55 11.366 -0.927 7.940 1.00 0.00 N ATOM 857 CA SER A 55 12.441 -1.139 6.961 1.00 0.00 C ATOM 858 C SER A 55 11.971 -1.992 5.776 1.00 0.00 C ATOM 859 O SER A 55 10.951 -2.690 5.865 1.00 0.00 O ATOM 860 CB SER A 55 13.642 -1.817 7.639 1.00 0.00 C ATOM 861 OG SER A 55 13.350 -3.168 7.977 1.00 0.00 O ATOM 0 H SER A 55 10.630 -1.631 7.880 1.00 0.00 H new ATOM 0 HA SER A 55 12.735 -0.162 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.504 -1.785 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.914 -1.265 8.539 1.00 0.00 H new ATOM 0 HG SER A 55 14.132 -3.575 8.405 1.00 0.00 H new ATOM 867 N ARG A 56 12.757 -2.015 4.688 1.00 0.00 N ATOM 868 CA ARG A 56 12.518 -2.922 3.557 1.00 0.00 C ATOM 869 C ARG A 56 12.448 -4.376 4.037 1.00 0.00 C ATOM 870 O ARG A 56 11.477 -5.051 3.734 1.00 0.00 O ATOM 871 CB ARG A 56 13.572 -2.699 2.455 1.00 0.00 C ATOM 872 CG ARG A 56 13.335 -3.631 1.252 1.00 0.00 C ATOM 873 CD ARG A 56 14.312 -3.407 0.097 1.00 0.00 C ATOM 874 NE ARG A 56 14.108 -2.089 -0.534 1.00 0.00 N ATOM 875 CZ ARG A 56 15.050 -1.173 -0.773 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.304 -1.338 -0.406 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.753 -0.055 -1.393 1.00 0.00 N ATOM 0 H ARG A 56 13.570 -1.410 4.569 1.00 0.00 H new ATOM 0 HA ARG A 56 11.549 -2.696 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.540 -1.661 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.568 -2.874 2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.412 -4.666 1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.318 -3.488 0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.335 -3.481 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.183 -4.192 -0.648 1.00 0.00 H new ATOM 0 HE ARG A 56 13.156 -1.855 -0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.585 -2.190 0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.994 -0.614 -0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.795 0.121 -1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.480 0.638 -1.571 1.00 0.00 H new ATOM 891 N ALA A 57 13.383 -4.842 4.869 1.00 0.00 N ATOM 892 CA ALA A 57 13.372 -6.201 5.432 1.00 0.00 C ATOM 893 C ALA A 57 12.052 -6.573 6.148 1.00 0.00 C ATOM 894 O ALA A 57 11.638 -7.732 6.092 1.00 0.00 O ATOM 895 CB ALA A 57 14.573 -6.331 6.378 1.00 0.00 C ATOM 0 H ALA A 57 14.179 -4.283 5.176 1.00 0.00 H new ATOM 0 HA ALA A 57 13.447 -6.910 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.589 -7.331 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 57 15.495 -6.162 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.490 -5.592 7.175 1.00 0.00 H new ATOM 901 N GLU A 58 11.376 -5.602 6.776 1.00 0.00 N ATOM 902 CA GLU A 58 10.104 -5.813 7.486 1.00 0.00 C ATOM 903 C GLU A 58 8.872 -5.647 6.585 1.00 0.00 C ATOM 904 O GLU A 58 7.880 -6.351 6.783 1.00 0.00 O ATOM 905 CB GLU A 58 10.001 -4.825 8.655 1.00 0.00 C ATOM 906 CG GLU A 58 11.092 -5.070 9.696 1.00 0.00 C ATOM 907 CD GLU A 58 10.844 -6.350 10.510 1.00 0.00 C ATOM 908 OE1 GLU A 58 9.896 -6.377 11.331 1.00 0.00 O ATOM 909 OE2 GLU A 58 11.603 -7.336 10.349 1.00 0.00 O ATOM 0 H GLU A 58 11.700 -4.635 6.807 1.00 0.00 H new ATOM 0 HA GLU A 58 10.110 -6.844 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.079 -3.805 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.022 -4.917 9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.058 -5.141 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.144 -4.217 10.372 1.00 0.00 H new ATOM 916 N VAL A 59 8.923 -4.731 5.612 1.00 0.00 N ATOM 917 CA VAL A 59 7.832 -4.480 4.647 1.00 0.00 C ATOM 918 C VAL A 59 7.886 -5.450 3.446 1.00 0.00 C ATOM 919 O VAL A 59 6.897 -5.609 2.730 1.00 0.00 O ATOM 920 CB VAL A 59 7.827 -2.989 4.222 1.00 0.00 C ATOM 921 CG1 VAL A 59 6.776 -2.643 3.149 1.00 0.00 C ATOM 922 CG2 VAL A 59 7.533 -2.129 5.463 1.00 0.00 C ATOM 0 H VAL A 59 9.734 -4.130 5.465 1.00 0.00 H new ATOM 0 HA VAL A 59 6.881 -4.683 5.140 1.00 0.00 H new ATOM 0 HB VAL A 59 8.807 -2.788 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.838 -1.582 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.966 -3.231 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.780 -2.871 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.526 -1.076 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.561 -2.402 5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.304 -2.299 6.214 1.00 0.00 H new ATOM 932 N MET A 60 9.000 -6.163 3.245 1.00 0.00 N ATOM 933 CA MET A 60 9.127 -7.191 2.197 1.00 0.00 C ATOM 934 C MET A 60 8.419 -8.496 2.584 1.00 0.00 C ATOM 935 O MET A 60 8.326 -8.847 3.761 1.00 0.00 O ATOM 936 CB MET A 60 10.600 -7.444 1.842 1.00 0.00 C ATOM 937 CG MET A 60 11.141 -6.324 0.942 1.00 0.00 C ATOM 938 SD MET A 60 10.509 -6.266 -0.759 1.00 0.00 S ATOM 939 CE MET A 60 11.312 -7.741 -1.438 1.00 0.00 C ATOM 0 H MET A 60 9.844 -6.045 3.805 1.00 0.00 H new ATOM 0 HA MET A 60 8.628 -6.805 1.308 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.194 -7.503 2.754 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.697 -8.404 1.335 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.922 -5.369 1.419 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.226 -6.417 0.899 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.163 -7.772 -2.517 1.00 0.00 H new ATOM 0 HE2 MET A 60 12.379 -7.707 -1.220 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.877 -8.633 -0.986 1.00 0.00 H new ATOM 949 N GLN A 61 7.886 -9.192 1.569 1.00 0.00 N ATOM 950 CA GLN A 61 7.068 -10.419 1.679 1.00 0.00 C ATOM 951 C GLN A 61 5.672 -10.174 2.297 1.00 0.00 C ATOM 952 O GLN A 61 4.887 -11.105 2.476 1.00 0.00 O ATOM 953 CB GLN A 61 7.870 -11.535 2.395 1.00 0.00 C ATOM 954 CG GLN A 61 7.465 -12.977 2.031 1.00 0.00 C ATOM 955 CD GLN A 61 7.717 -13.317 0.560 1.00 0.00 C ATOM 956 OE1 GLN A 61 8.843 -13.324 0.076 1.00 0.00 O ATOM 957 NE2 GLN A 61 6.686 -13.583 -0.217 1.00 0.00 N ATOM 0 H GLN A 61 8.018 -8.904 0.599 1.00 0.00 H new ATOM 0 HA GLN A 61 6.852 -10.763 0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.927 -11.404 2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.759 -11.405 3.472 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.020 -13.674 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.408 -13.119 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.742 -13.581 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.832 -13.790 -1.205 1.00 0.00 H new ATOM 966 N ARG A 62 5.332 -8.909 2.569 1.00 0.00 N ATOM 967 CA ARG A 62 4.008 -8.478 3.041 1.00 0.00 C ATOM 968 C ARG A 62 3.024 -8.436 1.866 1.00 0.00 C ATOM 969 O ARG A 62 3.464 -8.128 0.753 1.00 0.00 O ATOM 970 CB ARG A 62 4.076 -7.072 3.670 1.00 0.00 C ATOM 971 CG ARG A 62 4.940 -6.967 4.928 1.00 0.00 C ATOM 972 CD ARG A 62 4.334 -7.624 6.169 1.00 0.00 C ATOM 973 NE ARG A 62 5.261 -7.443 7.297 1.00 0.00 N ATOM 974 CZ ARG A 62 5.009 -7.587 8.590 1.00 0.00 C ATOM 975 NH1 ARG A 62 3.844 -8.001 9.044 1.00 0.00 N ATOM 976 NH2 ARG A 62 5.959 -7.303 9.453 1.00 0.00 N ATOM 0 H ARG A 62 5.987 -8.134 2.464 1.00 0.00 H new ATOM 0 HA ARG A 62 3.673 -9.193 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.460 -6.375 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.064 -6.751 3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.909 -7.423 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.122 -5.914 5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.367 -7.177 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.160 -8.685 5.989 1.00 0.00 H new ATOM 0 HE ARG A 62 6.214 -7.174 7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.093 -8.225 8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.693 -8.098 10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.868 -6.979 9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.787 -7.407 10.453 1.00 0.00 H new ATOM 990 N PRO A 63 1.707 -8.591 2.105 1.00 0.00 N ATOM 991 CA PRO A 63 0.667 -8.486 1.077 1.00 0.00 C ATOM 992 C PRO A 63 0.367 -7.050 0.588 1.00 0.00 C ATOM 993 O PRO A 63 -0.632 -6.841 -0.095 1.00 0.00 O ATOM 994 CB PRO A 63 -0.556 -9.183 1.685 1.00 0.00 C ATOM 995 CG PRO A 63 -0.389 -9.008 3.189 1.00 0.00 C ATOM 996 CD PRO A 63 1.124 -8.966 3.391 1.00 0.00 C ATOM 0 HA PRO A 63 1.000 -8.961 0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.484 -8.732 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.589 -10.237 1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.864 -8.092 3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.842 -9.832 3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.392 -8.244 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.498 -9.936 3.718 1.00 0.00 H new ATOM 1004 N CYS A 64 1.203 -6.049 0.933 1.00 0.00 N ATOM 1005 CA CYS A 64 1.289 -4.716 0.301 1.00 0.00 C ATOM 1006 C CYS A 64 0.173 -3.736 0.722 1.00 0.00 C ATOM 1007 O CYS A 64 0.386 -2.524 0.748 1.00 0.00 O ATOM 1008 CB CYS A 64 1.380 -4.906 -1.221 1.00 0.00 C ATOM 1009 SG CYS A 64 2.016 -3.398 -1.973 1.00 0.00 S ATOM 0 H CYS A 64 1.870 -6.154 1.698 1.00 0.00 H new ATOM 0 HA CYS A 64 2.193 -4.227 0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.033 -5.746 -1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.397 -5.143 -1.629 1.00 0.00 H new ATOM 0 HG CYS A 64 3.256 -3.576 -2.322 1.00 0.00 H new ATOM 1015 N THR A 65 -0.973 -4.260 1.173 1.00 0.00 N ATOM 1016 CA THR A 65 -2.102 -3.523 1.768 1.00 0.00 C ATOM 1017 C THR A 65 -1.713 -2.712 3.003 1.00 0.00 C ATOM 1018 O THR A 65 -2.439 -1.784 3.359 1.00 0.00 O ATOM 1019 CB THR A 65 -3.221 -4.497 2.155 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.660 -5.511 2.966 1.00 0.00 O ATOM 1021 CG2 THR A 65 -3.871 -5.145 0.932 1.00 0.00 C ATOM 0 H THR A 65 -1.150 -5.264 1.132 1.00 0.00 H new ATOM 0 HA THR A 65 -2.440 -2.821 1.005 1.00 0.00 H new ATOM 0 HB THR A 65 -3.995 -3.940 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.360 -6.146 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.657 -5.827 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.301 -4.371 0.296 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.119 -5.700 0.371 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.589 -3.062 3.649 1.00 0.00 N ATOM 1030 CA CYS A 66 -0.042 -2.385 4.833 1.00 0.00 C ATOM 1031 C CYS A 66 -1.009 -2.409 6.037 1.00 0.00 C ATOM 1032 O CYS A 66 -0.970 -1.528 6.895 1.00 0.00 O ATOM 1033 CB CYS A 66 0.445 -0.978 4.443 1.00 0.00 C ATOM 1034 SG CYS A 66 1.837 -1.091 3.280 1.00 0.00 S ATOM 0 H CYS A 66 -0.017 -3.852 3.350 1.00 0.00 H new ATOM 0 HA CYS A 66 0.825 -2.942 5.188 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.372 -0.416 3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.751 -0.432 5.335 1.00 0.00 H new ATOM 0 HG CYS A 66 1.438 -1.655 2.179 1.00 0.00 H new ATOM 1040 N ASP A 67 -1.866 -3.435 6.124 1.00 0.00 N ATOM 1041 CA ASP A 67 -2.882 -3.587 7.173 1.00 0.00 C ATOM 1042 C ASP A 67 -2.271 -3.626 8.583 1.00 0.00 C ATOM 1043 O ASP A 67 -2.897 -3.174 9.541 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.692 -4.860 6.895 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.812 -5.063 7.930 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -5.877 -4.416 7.796 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.624 -5.876 8.867 1.00 0.00 O ATOM 0 H ASP A 67 -1.872 -4.201 5.450 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.534 -2.714 7.148 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.126 -4.804 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.027 -5.723 6.905 1.00 0.00 H new ATOM 1052 N PHE A 68 -1.020 -4.083 8.707 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.254 -4.080 9.954 1.00 0.00 C ATOM 1054 C PHE A 68 -0.041 -2.674 10.563 1.00 0.00 C ATOM 1055 O PHE A 68 0.324 -2.570 11.735 1.00 0.00 O ATOM 1056 CB PHE A 68 1.078 -4.817 9.722 1.00 0.00 C ATOM 1057 CG PHE A 68 1.959 -4.240 8.626 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.812 -3.154 8.901 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.930 -4.792 7.330 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.621 -2.618 7.884 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.744 -4.256 6.316 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.584 -3.164 6.590 1.00 0.00 C ATOM 0 H PHE A 68 -0.501 -4.475 7.921 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.844 -4.607 10.704 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.641 -4.817 10.655 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.861 -5.858 9.480 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.845 -2.732 9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.281 -5.628 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.273 -1.784 8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.723 -4.685 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.200 -2.745 5.808 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.298 -1.596 9.805 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.288 -0.209 10.289 1.00 0.00 C ATOM 1074 C LEU A 69 -1.610 0.232 10.947 1.00 0.00 C ATOM 1075 O LEU A 69 -1.682 1.362 11.434 1.00 0.00 O ATOM 1076 CB LEU A 69 0.077 0.738 9.130 1.00 0.00 C ATOM 1077 CG LEU A 69 1.458 0.504 8.487 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.643 1.493 7.328 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.598 0.674 9.505 1.00 0.00 C ATOM 0 H LEU A 69 -0.524 -1.668 8.813 1.00 0.00 H new ATOM 0 HA LEU A 69 0.465 -0.157 11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.685 0.645 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.036 1.764 9.496 1.00 0.00 H new ATOM 0 HG LEU A 69 1.497 -0.522 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.618 1.335 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.860 1.334 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.582 2.513 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.555 0.501 9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.576 1.686 9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.472 -0.044 10.315 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.658 -0.599 10.973 1.00 0.00 N ATOM 1092 CA HIS A 70 -3.919 -0.233 11.615 1.00 0.00 C ATOM 1093 C HIS A 70 -3.803 -0.069 13.149 1.00 0.00 C ATOM 1094 O HIS A 70 -3.072 -0.796 13.833 1.00 0.00 O ATOM 1095 CB HIS A 70 -5.054 -1.201 11.221 1.00 0.00 C ATOM 1096 CG HIS A 70 -5.147 -2.484 12.016 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -4.666 -3.718 11.644 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -5.813 -2.661 13.201 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -5.015 -4.609 12.585 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -5.721 -4.013 13.564 1.00 0.00 N ATOM 0 H HIS A 70 -2.655 -1.530 10.556 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.178 0.755 11.235 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.002 -0.672 11.314 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.934 -1.459 10.169 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.135 -3.921 10.797 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.322 -1.890 13.760 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.764 -5.659 12.560 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.579 0.878 13.684 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.870 1.067 15.109 1.00 0.00 C ATOM 1110 C GLY A 71 -6.384 1.172 15.359 1.00 0.00 C ATOM 1111 O GLY A 71 -7.168 0.795 14.482 1.00 0.00 O ATOM 0 H GLY A 71 -5.047 1.572 13.102 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.462 0.233 15.680 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.376 1.970 15.467 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.820 1.712 16.516 1.00 0.00 N ATOM 1116 CA PRO A 72 -8.239 1.908 16.818 1.00 0.00 C ATOM 1117 C PRO A 72 -8.898 3.000 15.954 1.00 0.00 C ATOM 1118 O PRO A 72 -10.118 2.984 15.794 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.284 2.261 18.310 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.932 2.926 18.563 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.994 2.159 17.632 1.00 0.00 C ATOM 0 HA PRO A 72 -8.811 1.009 16.588 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.111 2.934 18.538 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.416 1.373 18.928 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.955 3.990 18.327 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.627 2.838 19.606 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.180 2.796 17.286 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.539 1.312 18.146 1.00 0.00 H new ATOM 1129 N ARG A 73 -8.113 3.927 15.375 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.613 5.036 14.546 1.00 0.00 C ATOM 1131 C ARG A 73 -8.716 4.685 13.045 1.00 0.00 C ATOM 1132 O ARG A 73 -9.260 5.475 12.270 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.707 6.264 14.802 1.00 0.00 C ATOM 1134 CG ARG A 73 -8.267 7.628 14.354 1.00 0.00 C ATOM 1135 CD ARG A 73 -9.658 7.916 14.933 1.00 0.00 C ATOM 1136 NE ARG A 73 -10.060 9.319 14.724 1.00 0.00 N ATOM 1137 CZ ARG A 73 -11.246 9.843 15.024 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -12.225 9.116 15.523 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -11.472 11.123 14.826 1.00 0.00 N ATOM 0 H ARG A 73 -7.098 3.925 15.472 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.640 5.260 14.837 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.493 6.315 15.870 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.757 6.100 14.294 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.580 8.417 14.661 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.318 7.655 13.266 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.389 7.255 14.467 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.661 7.692 16.000 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.367 9.944 14.313 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.086 8.120 15.691 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.122 9.550 15.742 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.737 11.717 14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.382 11.522 15.057 1.00 0.00 H new ATOM 1153 N THR A 74 -8.195 3.526 12.614 1.00 0.00 N ATOM 1154 CA THR A 74 -8.161 3.087 11.205 1.00 0.00 C ATOM 1155 C THR A 74 -9.560 2.689 10.732 1.00 0.00 C ATOM 1156 O THR A 74 -10.336 2.107 11.490 1.00 0.00 O ATOM 1157 CB THR A 74 -7.145 1.953 11.022 1.00 0.00 C ATOM 1158 OG1 THR A 74 -5.933 2.376 11.596 1.00 0.00 O ATOM 1159 CG2 THR A 74 -6.870 1.644 9.554 1.00 0.00 C ATOM 0 H THR A 74 -7.774 2.849 13.250 1.00 0.00 H new ATOM 0 HA THR A 74 -7.835 3.920 10.582 1.00 0.00 H new ATOM 0 HB THR A 74 -7.552 1.056 11.488 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.453 2.949 10.962 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.144 0.834 9.482 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.797 1.345 9.065 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.472 2.532 9.064 1.00 0.00 H new ATOM 1167 N GLN A 75 -9.889 3.019 9.480 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.233 2.832 8.919 1.00 0.00 C ATOM 1169 C GLN A 75 -11.331 1.461 8.233 1.00 0.00 C ATOM 1170 O GLN A 75 -10.589 1.186 7.287 1.00 0.00 O ATOM 1171 CB GLN A 75 -11.574 3.963 7.928 1.00 0.00 C ATOM 1172 CG GLN A 75 -11.333 5.388 8.456 1.00 0.00 C ATOM 1173 CD GLN A 75 -12.129 5.774 9.705 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -13.210 5.270 9.991 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -11.612 6.694 10.494 1.00 0.00 N ATOM 0 H GLN A 75 -9.226 3.427 8.821 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.958 2.868 9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.983 3.823 7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.622 3.871 7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.271 5.500 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.572 6.096 7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.713 7.118 10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.110 6.982 11.336 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.283 0.617 8.656 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.475 -0.743 8.114 1.00 0.00 C ATOM 1186 C ARG A 76 -12.745 -0.735 6.599 1.00 0.00 C ATOM 1187 O ARG A 76 -12.192 -1.555 5.862 1.00 0.00 O ATOM 1188 CB ARG A 76 -13.629 -1.441 8.866 1.00 0.00 C ATOM 1189 CG ARG A 76 -13.372 -1.663 10.370 1.00 0.00 C ATOM 1190 CD ARG A 76 -12.268 -2.682 10.687 1.00 0.00 C ATOM 1191 NE ARG A 76 -12.658 -4.049 10.290 1.00 0.00 N ATOM 1192 CZ ARG A 76 -11.900 -5.140 10.364 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -10.660 -5.103 10.807 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -12.393 -6.300 9.989 1.00 0.00 N ATOM 0 H ARG A 76 -12.949 0.858 9.390 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.549 -1.297 8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.534 -0.845 8.749 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.820 -2.406 8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.108 -0.708 10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.299 -1.994 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.352 -2.400 10.168 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.049 -2.661 11.755 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.602 -4.169 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.252 -4.218 11.107 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.108 -5.960 10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.351 -6.359 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.817 -7.140 10.043 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.532 0.239 6.118 1.00 0.00 N ATOM 1209 CA ARG A 77 -13.827 0.439 4.687 1.00 0.00 C ATOM 1210 C ARG A 77 -12.575 0.817 3.888 1.00 0.00 C ATOM 1211 O ARG A 77 -12.374 0.314 2.789 1.00 0.00 O ATOM 1212 CB ARG A 77 -14.931 1.506 4.547 1.00 0.00 C ATOM 1213 CG ARG A 77 -15.506 1.663 3.125 1.00 0.00 C ATOM 1214 CD ARG A 77 -16.192 0.394 2.594 1.00 0.00 C ATOM 1215 NE ARG A 77 -16.802 0.624 1.270 1.00 0.00 N ATOM 1216 CZ ARG A 77 -17.999 1.146 1.016 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -18.806 1.561 1.972 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -18.408 1.260 -0.229 1.00 0.00 N ATOM 0 H ARG A 77 -13.990 0.922 6.721 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.180 -0.503 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.746 1.256 5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.530 2.467 4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.224 2.483 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.701 1.942 2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.463 -0.413 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.959 0.072 3.298 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.244 0.353 0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.520 1.488 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.716 1.956 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.808 0.949 -0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.325 1.659 -0.430 1.00 0.00 H new ATOM 1232 N ALA A 78 -11.693 1.652 4.434 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.451 2.054 3.760 1.00 0.00 C ATOM 1234 C ALA A 78 -9.441 0.901 3.644 1.00 0.00 C ATOM 1235 O ALA A 78 -8.888 0.675 2.569 1.00 0.00 O ATOM 1236 CB ALA A 78 -9.867 3.252 4.507 1.00 0.00 C ATOM 0 H ALA A 78 -11.815 2.071 5.356 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.679 2.336 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.943 3.567 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.583 4.074 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.658 2.971 5.539 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.265 0.113 4.711 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.432 -1.098 4.682 1.00 0.00 C ATOM 1244 C ALA A 79 -8.894 -2.093 3.596 1.00 0.00 C ATOM 1245 O ALA A 79 -8.071 -2.722 2.929 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.461 -1.718 6.085 1.00 0.00 C ATOM 0 H ALA A 79 -9.695 0.295 5.618 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.408 -0.838 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.851 -2.621 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.065 -1.003 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.488 -1.971 6.350 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.211 -2.166 3.364 1.00 0.00 N ATOM 1253 CA ALA A 80 -10.828 -2.937 2.283 1.00 0.00 C ATOM 1254 C ALA A 80 -10.604 -2.303 0.908 1.00 0.00 C ATOM 1255 O ALA A 80 -10.226 -3.004 -0.026 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.327 -3.038 2.569 1.00 0.00 C ATOM 0 H ALA A 80 -10.894 -1.675 3.941 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.363 -3.923 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.811 -3.609 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.482 -3.539 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.758 -2.038 2.610 1.00 0.00 H new ATOM 1262 N GLN A 81 -10.815 -0.992 0.765 1.00 0.00 N ATOM 1263 CA GLN A 81 -10.647 -0.301 -0.517 1.00 0.00 C ATOM 1264 C GLN A 81 -9.204 -0.408 -1.031 1.00 0.00 C ATOM 1265 O GLN A 81 -9.020 -0.569 -2.233 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.098 1.166 -0.417 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.615 1.362 -0.223 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.195 2.391 -1.196 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -13.269 2.169 -2.400 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -13.602 3.556 -0.735 1.00 0.00 N ATOM 0 H GLN A 81 -11.105 -0.382 1.529 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.288 -0.798 -1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.575 1.637 0.416 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.791 1.689 -1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.123 0.408 -0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.810 1.682 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.547 3.757 0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.972 4.257 -1.377 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.178 -0.405 -0.164 1.00 0.00 N ATOM 1280 CA ILE A 82 -6.793 -0.681 -0.605 1.00 0.00 C ATOM 1281 C ILE A 82 -6.647 -2.103 -1.165 1.00 0.00 C ATOM 1282 O ILE A 82 -5.984 -2.281 -2.182 1.00 0.00 O ATOM 1283 CB ILE A 82 -5.791 -0.380 0.534 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -5.793 1.137 0.803 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.363 -0.835 0.174 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.131 1.540 2.116 1.00 0.00 C ATOM 0 H ILE A 82 -8.275 -0.218 0.834 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.555 -0.010 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.100 -0.932 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.283 1.641 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.823 1.493 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.689 -0.606 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.359 -1.909 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.030 -0.312 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.175 2.623 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.654 1.068 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.090 1.218 2.112 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.301 -3.109 -0.576 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.315 -4.468 -1.130 1.00 0.00 C ATOM 1300 C ALA A 83 -8.118 -4.556 -2.445 1.00 0.00 C ATOM 1301 O ALA A 83 -7.699 -5.245 -3.372 1.00 0.00 O ATOM 1302 CB ALA A 83 -7.841 -5.432 -0.058 1.00 0.00 C ATOM 0 H ALA A 83 -7.831 -3.007 0.290 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.298 -4.755 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.857 -6.446 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.190 -5.395 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.851 -5.140 0.230 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.228 -3.818 -2.572 1.00 0.00 N ATOM 1309 CA GLN A 84 -9.986 -3.706 -3.828 1.00 0.00 C ATOM 1310 C GLN A 84 -9.175 -2.991 -4.922 1.00 0.00 C ATOM 1311 O GLN A 84 -9.291 -3.350 -6.092 1.00 0.00 O ATOM 1312 CB GLN A 84 -11.322 -2.975 -3.598 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.320 -3.719 -2.688 1.00 0.00 C ATOM 1314 CD GLN A 84 -12.794 -5.060 -3.260 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -13.201 -5.172 -4.410 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -12.752 -6.130 -2.491 1.00 0.00 N ATOM 0 H GLN A 84 -9.629 -3.279 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.192 -4.720 -4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.114 -1.998 -3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.795 -2.800 -4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.854 -3.892 -1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.187 -3.081 -2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.416 -6.055 -1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.056 -7.033 -2.856 1.00 0.00 H new ATOM 1325 N ALA A 85 -8.298 -2.040 -4.570 1.00 0.00 N ATOM 1326 CA ALA A 85 -7.408 -1.367 -5.521 1.00 0.00 C ATOM 1327 C ALA A 85 -6.396 -2.338 -6.179 1.00 0.00 C ATOM 1328 O ALA A 85 -5.891 -2.051 -7.264 1.00 0.00 O ATOM 1329 CB ALA A 85 -6.716 -0.196 -4.812 1.00 0.00 C ATOM 0 H ALA A 85 -8.187 -1.715 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.006 -0.979 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.051 0.311 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.468 0.506 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.137 -0.572 -3.969 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.141 -3.500 -5.555 1.00 0.00 N ATOM 1336 CA LEU A 86 -5.331 -4.608 -6.089 1.00 0.00 C ATOM 1337 C LEU A 86 -6.147 -5.614 -6.928 1.00 0.00 C ATOM 1338 O LEU A 86 -5.570 -6.481 -7.586 1.00 0.00 O ATOM 1339 CB LEU A 86 -4.658 -5.357 -4.925 1.00 0.00 C ATOM 1340 CG LEU A 86 -3.862 -4.488 -3.933 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -3.392 -5.350 -2.757 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -2.661 -3.803 -4.592 1.00 0.00 C ATOM 0 H LEU A 86 -6.509 -3.702 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.590 -4.162 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.428 -5.893 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.985 -6.106 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.527 -3.701 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.829 -4.734 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.257 -5.777 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.755 -6.153 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.133 -3.203 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.986 -4.559 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.008 -3.159 -5.400 1.00 0.00 H new ATOM 1354 N LEU A 87 -7.481 -5.523 -6.907 1.00 0.00 N ATOM 1355 CA LEU A 87 -8.383 -6.294 -7.776 1.00 0.00 C ATOM 1356 C LEU A 87 -8.820 -5.490 -9.016 1.00 0.00 C ATOM 1357 O LEU A 87 -9.334 -6.069 -9.976 1.00 0.00 O ATOM 1358 CB LEU A 87 -9.604 -6.760 -6.957 1.00 0.00 C ATOM 1359 CG LEU A 87 -9.272 -7.631 -5.725 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -10.572 -8.006 -5.002 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -8.507 -8.912 -6.094 1.00 0.00 C ATOM 0 H LEU A 87 -7.977 -4.898 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.842 -7.165 -8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.155 -5.881 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.268 -7.323 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.625 -7.042 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.340 -8.621 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.084 -7.099 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.217 -8.565 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.300 -9.485 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.110 -9.513 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.567 -8.648 -6.579 1.00 0.00 H new ATOM 1373 N GLY A 88 -8.606 -4.168 -9.010 1.00 0.00 N ATOM 1374 CA GLY A 88 -8.953 -3.245 -10.099 1.00 0.00 C ATOM 1375 C GLY A 88 -7.860 -3.135 -11.167 1.00 0.00 C ATOM 1376 O GLY A 88 -6.672 -3.259 -10.874 1.00 0.00 O ATOM 0 H GLY A 88 -8.171 -3.694 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.879 -3.578 -10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.145 -2.257 -9.682 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.270 -2.852 -12.408 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.387 -2.678 -13.573 1.00 0.00 C ATOM 1382 C ALA A 89 -7.117 -1.196 -13.933 1.00 0.00 C ATOM 1383 O ALA A 89 -6.538 -0.913 -14.984 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.011 -3.461 -14.738 1.00 0.00 C ATOM 0 H ALA A 89 -9.256 -2.733 -12.640 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.398 -3.069 -13.336 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.384 -3.357 -15.624 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.087 -4.515 -14.469 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.005 -3.068 -14.949 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.538 -0.260 -13.076 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.403 1.196 -13.237 1.00 0.00 C ATOM 1392 C GLU A 90 -6.901 1.864 -11.939 1.00 0.00 C ATOM 1393 O GLU A 90 -6.908 1.248 -10.870 1.00 0.00 O ATOM 1394 CB GLU A 90 -8.738 1.798 -13.721 1.00 0.00 C ATOM 1395 CG GLU A 90 -9.899 1.656 -12.724 1.00 0.00 C ATOM 1396 CD GLU A 90 -11.198 2.216 -13.323 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -11.436 3.444 -13.230 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -11.996 1.432 -13.890 1.00 0.00 O ATOM 0 H GLU A 90 -8.007 -0.508 -12.205 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.648 1.395 -13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.588 2.856 -13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.020 1.318 -14.658 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.035 0.606 -12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.660 2.185 -11.801 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.441 3.117 -12.032 1.00 0.00 N ATOM 1406 CA GLU A 91 -5.911 3.882 -10.892 1.00 0.00 C ATOM 1407 C GLU A 91 -6.973 4.085 -9.794 1.00 0.00 C ATOM 1408 O GLU A 91 -8.131 4.403 -10.090 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.382 5.251 -11.356 1.00 0.00 C ATOM 1410 CG GLU A 91 -4.128 5.151 -12.233 1.00 0.00 C ATOM 1411 CD GLU A 91 -3.741 6.529 -12.789 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -3.077 7.316 -12.074 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -4.102 6.838 -13.950 1.00 0.00 O ATOM 0 H GLU A 91 -6.425 3.636 -12.910 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.092 3.300 -10.470 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.165 5.766 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.158 5.862 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.302 4.744 -11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.308 4.459 -13.056 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.567 3.937 -8.522 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.456 4.069 -7.355 1.00 0.00 C ATOM 1422 C ARG A 92 -6.734 4.670 -6.148 1.00 0.00 C ATOM 1423 O ARG A 92 -5.677 4.188 -5.737 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.083 2.694 -7.035 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.176 2.701 -5.945 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.341 3.646 -6.278 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.525 3.385 -5.440 1.00 0.00 N ATOM 1428 CZ ARG A 92 -12.740 3.893 -5.629 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -13.010 4.727 -6.613 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -13.720 3.566 -4.817 1.00 0.00 N ATOM 0 H ARG A 92 -5.602 3.720 -8.272 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.255 4.769 -7.598 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.510 2.287 -7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.289 2.015 -6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.560 1.689 -5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.733 2.998 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.020 4.679 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.609 3.534 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.402 2.759 -4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.274 5.004 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.955 5.095 -6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.549 2.924 -4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.652 3.954 -4.960 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.328 5.714 -5.562 1.00 0.00 N ATOM 1445 CA LYS A 93 -6.871 6.386 -4.340 1.00 0.00 C ATOM 1446 C LYS A 93 -7.786 6.059 -3.141 1.00 0.00 C ATOM 1447 O LYS A 93 -9.006 6.004 -3.294 1.00 0.00 O ATOM 1448 CB LYS A 93 -6.807 7.905 -4.588 1.00 0.00 C ATOM 1449 CG LYS A 93 -5.989 8.268 -5.844 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.574 9.745 -5.888 1.00 0.00 C ATOM 1451 CE LYS A 93 -6.791 10.681 -5.860 1.00 0.00 C ATOM 1452 NZ LYS A 93 -6.399 12.108 -6.029 1.00 0.00 N ATOM 0 H LYS A 93 -8.177 6.132 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.875 6.021 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.819 8.295 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.366 8.393 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.095 7.645 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.576 8.036 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.926 9.966 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.992 9.932 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.484 10.399 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.321 10.560 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.249 12.707 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.758 12.385 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.916 12.230 -6.942 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.203 5.845 -1.957 1.00 0.00 N ATOM 1467 CA VAL A 94 -7.910 5.530 -0.694 1.00 0.00 C ATOM 1468 C VAL A 94 -7.268 6.313 0.452 1.00 0.00 C ATOM 1469 O VAL A 94 -6.044 6.405 0.514 1.00 0.00 O ATOM 1470 CB VAL A 94 -7.883 4.011 -0.369 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -8.699 3.704 0.892 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.400 3.192 -1.547 1.00 0.00 C ATOM 0 H VAL A 94 -6.191 5.886 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.954 5.819 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.846 3.730 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.663 2.634 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.281 4.249 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.734 4.010 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.371 2.132 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.426 3.484 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.773 3.374 -2.420 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.084 6.861 1.355 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.629 7.600 2.536 1.00 0.00 C ATOM 1484 C GLU A 95 -7.746 6.737 3.804 1.00 0.00 C ATOM 1485 O GLU A 95 -8.816 6.197 4.081 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.459 8.892 2.642 1.00 0.00 C ATOM 1487 CG GLU A 95 -8.125 9.750 3.864 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.958 11.044 3.870 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.714 11.939 3.029 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.872 11.171 4.719 1.00 0.00 O ATOM 0 H GLU A 95 -9.100 6.803 1.285 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.574 7.857 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.304 9.486 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.517 8.630 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.319 9.184 4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.063 9.996 3.861 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.667 6.609 4.587 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.574 5.672 5.729 1.00 0.00 C ATOM 1499 C ILE A 96 -5.630 6.185 6.832 1.00 0.00 C ATOM 1500 O ILE A 96 -4.644 6.852 6.537 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.165 4.269 5.200 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.285 3.196 6.303 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -4.767 4.265 4.556 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.259 1.758 5.773 1.00 0.00 C ATOM 0 H ILE A 96 -5.819 7.158 4.448 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.552 5.596 6.205 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.870 4.014 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.469 3.326 7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.214 3.354 6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.532 3.261 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.752 4.958 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.026 4.574 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.348 1.061 6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.091 1.609 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.319 1.580 5.250 1.00 0.00 H new ATOM 1516 N ALA A 97 -5.914 5.899 8.110 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.047 6.284 9.232 1.00 0.00 C ATOM 1518 C ALA A 97 -4.006 5.195 9.542 1.00 0.00 C ATOM 1519 O ALA A 97 -4.365 4.075 9.908 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.913 6.624 10.456 1.00 0.00 C ATOM 0 H ALA A 97 -6.753 5.393 8.395 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.481 7.173 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.270 6.910 11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.579 7.451 10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.504 5.752 10.737 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.724 5.549 9.423 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.557 4.728 9.754 1.00 0.00 C ATOM 1528 C PHE A 98 -0.753 5.341 10.910 1.00 0.00 C ATOM 1529 O PHE A 98 -0.780 6.557 11.116 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.672 4.635 8.497 1.00 0.00 C ATOM 1531 CG PHE A 98 -1.200 3.847 7.306 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -2.178 2.843 7.454 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.632 4.074 6.039 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.544 2.045 6.356 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -1.016 3.292 4.933 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.962 2.266 5.096 1.00 0.00 C ATOM 0 H PHE A 98 -2.458 6.469 9.073 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.888 3.740 10.072 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.464 5.650 8.160 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.281 4.196 8.792 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.648 2.686 8.414 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.104 4.854 5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.275 1.260 6.481 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.584 3.480 3.961 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.241 1.649 4.255 1.00 0.00 H new ATOM 1546 N TYR A 99 0.027 4.517 11.619 1.00 0.00 N ATOM 1547 CA TYR A 99 0.894 4.934 12.735 1.00 0.00 C ATOM 1548 C TYR A 99 2.409 4.775 12.462 1.00 0.00 C ATOM 1549 O TYR A 99 2.836 3.908 11.696 1.00 0.00 O ATOM 1550 CB TYR A 99 0.462 4.218 14.032 1.00 0.00 C ATOM 1551 CG TYR A 99 1.098 2.865 14.336 1.00 0.00 C ATOM 1552 CD1 TYR A 99 1.066 1.814 13.398 1.00 0.00 C ATOM 1553 CD2 TYR A 99 1.717 2.653 15.584 1.00 0.00 C ATOM 1554 CE1 TYR A 99 1.659 0.570 13.693 1.00 0.00 C ATOM 1555 CE2 TYR A 99 2.322 1.418 15.885 1.00 0.00 C ATOM 1556 CZ TYR A 99 2.293 0.369 14.940 1.00 0.00 C ATOM 1557 OH TYR A 99 2.874 -0.829 15.234 1.00 0.00 O ATOM 0 H TYR A 99 0.076 3.516 11.430 1.00 0.00 H new ATOM 0 HA TYR A 99 0.754 6.009 12.853 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.672 4.884 14.869 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.619 4.081 13.996 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.582 1.963 12.444 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.727 3.446 16.317 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.629 -0.229 12.967 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.808 1.273 16.838 1.00 0.00 H new ATOM 0 HH TYR A 99 3.264 -0.792 16.132 1.00 0.00 H new ATOM 1567 N ARG A 100 3.218 5.619 13.115 1.00 0.00 N ATOM 1568 CA ARG A 100 4.683 5.489 13.224 1.00 0.00 C ATOM 1569 C ARG A 100 5.050 4.440 14.285 1.00 0.00 C ATOM 1570 O ARG A 100 4.310 4.239 15.245 1.00 0.00 O ATOM 1571 CB ARG A 100 5.330 6.835 13.634 1.00 0.00 C ATOM 1572 CG ARG A 100 5.694 7.820 12.513 1.00 0.00 C ATOM 1573 CD ARG A 100 4.511 8.507 11.831 1.00 0.00 C ATOM 1574 NE ARG A 100 3.997 7.696 10.718 1.00 0.00 N ATOM 1575 CZ ARG A 100 2.739 7.438 10.401 1.00 0.00 C ATOM 1576 NH1 ARG A 100 1.738 7.817 11.161 1.00 0.00 N ATOM 1577 NH2 ARG A 100 2.483 6.782 9.291 1.00 0.00 N ATOM 0 H ARG A 100 2.861 6.442 13.601 1.00 0.00 H new ATOM 0 HA ARG A 100 5.057 5.184 12.246 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.648 7.341 14.317 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.238 6.614 14.195 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.349 8.587 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.267 7.286 11.756 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.717 8.677 12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.819 9.485 11.461 1.00 0.00 H new ATOM 0 HE ARG A 100 4.702 7.278 10.111 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.919 8.327 12.026 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.779 7.602 10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.249 6.480 8.689 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.518 6.575 9.032 1.00 0.00 H new ATOM 1591 N LYS A 101 6.263 3.890 14.215 1.00 0.00 N ATOM 1592 CA LYS A 101 6.875 3.085 15.294 1.00 0.00 C ATOM 1593 C LYS A 101 7.077 3.878 16.607 1.00 0.00 C ATOM 1594 O LYS A 101 7.085 3.295 17.692 1.00 0.00 O ATOM 1595 CB LYS A 101 8.202 2.481 14.781 1.00 0.00 C ATOM 1596 CG LYS A 101 8.068 1.022 14.324 1.00 0.00 C ATOM 1597 CD LYS A 101 7.207 0.870 13.060 1.00 0.00 C ATOM 1598 CE LYS A 101 7.067 -0.597 12.627 1.00 0.00 C ATOM 1599 NZ LYS A 101 6.269 -1.417 13.586 1.00 0.00 N ATOM 0 H LYS A 101 6.864 3.988 13.397 1.00 0.00 H new ATOM 0 HA LYS A 101 6.183 2.283 15.550 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.570 3.083 13.950 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.950 2.540 15.572 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.060 0.613 14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.630 0.433 15.129 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.218 1.289 13.244 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.651 1.446 12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.596 -0.636 11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.060 -1.035 12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.167 -2.383 13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.756 -1.448 14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.328 -0.991 13.707 1.00 0.00 H new ATOM 1613 N ASP A 102 7.165 5.211 16.519 1.00 0.00 N ATOM 1614 CA ASP A 102 7.157 6.151 17.654 1.00 0.00 C ATOM 1615 C ASP A 102 5.772 6.301 18.328 1.00 0.00 C ATOM 1616 O ASP A 102 5.665 6.930 19.384 1.00 0.00 O ATOM 1617 CB ASP A 102 7.645 7.522 17.156 1.00 0.00 C ATOM 1618 CG ASP A 102 9.082 7.473 16.614 1.00 0.00 C ATOM 1619 OD1 ASP A 102 10.035 7.568 17.426 1.00 0.00 O ATOM 1620 OD2 ASP A 102 9.250 7.343 15.378 1.00 0.00 O ATOM 0 H ASP A 102 7.247 5.686 15.620 1.00 0.00 H new ATOM 0 HA ASP A 102 7.820 5.745 18.417 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.977 7.880 16.373 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.592 8.242 17.973 1.00 0.00 H new ATOM 1625 N GLY A 103 4.713 5.737 17.728 1.00 0.00 N ATOM 1626 CA GLY A 103 3.326 5.763 18.214 1.00 0.00 C ATOM 1627 C GLY A 103 2.441 6.837 17.573 1.00 0.00 C ATOM 1628 O GLY A 103 1.238 6.859 17.831 1.00 0.00 O ATOM 0 H GLY A 103 4.805 5.227 16.850 1.00 0.00 H new ATOM 0 HA2 GLY A 103 2.875 4.787 18.036 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.337 5.917 19.293 1.00 0.00 H new ATOM 1632 N SER A 104 2.999 7.727 16.749 1.00 0.00 N ATOM 1633 CA SER A 104 2.268 8.887 16.203 1.00 0.00 C ATOM 1634 C SER A 104 1.416 8.525 14.977 1.00 0.00 C ATOM 1635 O SER A 104 1.914 7.932 14.020 1.00 0.00 O ATOM 1636 CB SER A 104 3.230 10.020 15.822 1.00 0.00 C ATOM 1637 OG SER A 104 4.058 10.393 16.919 1.00 0.00 O ATOM 0 H SER A 104 3.969 7.669 16.438 1.00 0.00 H new ATOM 0 HA SER A 104 1.601 9.220 16.998 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.853 9.704 14.986 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.659 10.885 15.485 1.00 0.00 H new ATOM 0 HG SER A 104 4.660 11.115 16.643 1.00 0.00 H new ATOM 1643 N CYS A 105 0.140 8.914 14.962 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.812 8.612 13.892 1.00 0.00 C ATOM 1645 C CYS A 105 -1.094 9.830 12.995 1.00 0.00 C ATOM 1646 O CYS A 105 -1.024 10.979 13.434 1.00 0.00 O ATOM 1647 CB CYS A 105 -2.095 8.036 14.524 1.00 0.00 C ATOM 1648 SG CYS A 105 -2.819 9.190 15.733 1.00 0.00 S ATOM 0 H CYS A 105 -0.271 9.464 15.716 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.376 7.867 13.226 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.823 7.823 13.742 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.867 7.089 15.014 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.897 8.668 16.239 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.473 9.551 11.746 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.996 10.513 10.764 1.00 0.00 C ATOM 1656 C PHE A 106 -2.661 9.828 9.560 1.00 0.00 C ATOM 1657 O PHE A 106 -2.469 8.634 9.318 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.920 11.537 10.346 1.00 0.00 C ATOM 1659 CG PHE A 106 0.450 11.025 9.934 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.604 10.163 8.830 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.592 11.510 10.599 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.890 9.816 8.385 1.00 0.00 C ATOM 1663 CE2 PHE A 106 2.877 11.168 10.148 1.00 0.00 C ATOM 1664 CZ PHE A 106 3.027 10.330 9.032 1.00 0.00 C ATOM 0 H PHE A 106 -1.423 8.604 11.370 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.790 11.072 11.259 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.320 12.117 9.515 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.779 12.227 11.178 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.267 9.769 8.326 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.479 12.149 11.462 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.006 9.151 7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.749 11.549 10.659 1.00 0.00 H new ATOM 0 HZ PHE A 106 4.014 10.081 8.671 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.447 10.597 8.799 1.00 0.00 N ATOM 1675 CA LEU A 107 -4.098 10.149 7.565 1.00 0.00 C ATOM 1676 C LEU A 107 -3.105 10.118 6.396 1.00 0.00 C ATOM 1677 O LEU A 107 -2.510 11.134 6.029 1.00 0.00 O ATOM 1678 CB LEU A 107 -5.299 11.060 7.227 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.670 10.699 7.834 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -7.096 9.266 7.496 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.715 10.900 9.353 1.00 0.00 C ATOM 0 H LEU A 107 -3.652 11.569 9.030 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.462 9.134 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.050 12.073 7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.408 11.081 6.143 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.377 11.391 7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.067 9.059 7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.166 9.153 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.359 8.565 7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.703 10.631 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.964 10.268 9.826 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.510 11.945 9.588 1.00 0.00 H new ATOM 1693 N CYS A 108 -3.004 8.956 5.760 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.287 8.700 4.519 1.00 0.00 C ATOM 1695 C CYS A 108 -3.282 8.564 3.350 1.00 0.00 C ATOM 1696 O CYS A 108 -4.309 7.889 3.472 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.482 7.408 4.727 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.467 7.076 3.261 1.00 0.00 S ATOM 0 H CYS A 108 -3.451 8.114 6.123 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.617 9.522 4.269 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.846 7.502 5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.158 6.573 4.910 1.00 0.00 H new ATOM 0 HG CYS A 108 0.213 5.983 3.443 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.968 9.164 2.202 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.560 8.831 0.911 1.00 0.00 C ATOM 1706 C LEU A 109 -2.692 7.740 0.264 1.00 0.00 C ATOM 1707 O LEU A 109 -1.508 7.962 0.008 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.651 10.095 0.022 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.871 10.095 -0.924 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -6.198 10.241 -0.165 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -4.748 11.250 -1.928 1.00 0.00 C ATOM 0 H LEU A 109 -2.278 9.913 2.145 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.577 8.458 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.697 10.977 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.741 10.178 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.878 9.134 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.025 10.235 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.312 9.411 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.200 11.181 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.611 11.247 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.709 12.197 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.837 11.127 -2.514 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.282 6.569 0.029 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.681 5.442 -0.700 1.00 0.00 C ATOM 1725 C VAL A 110 -3.246 5.447 -2.123 1.00 0.00 C ATOM 1726 O VAL A 110 -4.449 5.240 -2.290 1.00 0.00 O ATOM 1727 CB VAL A 110 -2.976 4.094 0.001 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.385 2.913 -0.787 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.426 4.084 1.439 1.00 0.00 C ATOM 0 H VAL A 110 -4.228 6.367 0.352 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.597 5.555 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.060 3.982 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.609 1.981 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.821 2.887 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.305 3.033 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.648 3.125 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.347 4.236 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.893 4.884 2.013 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.410 5.685 -3.137 1.00 0.00 N ATOM 1740 CA ASP A 111 -2.789 5.810 -4.535 1.00 0.00 C ATOM 1741 C ASP A 111 -2.136 4.654 -5.282 1.00 0.00 C ATOM 1742 O ASP A 111 -0.916 4.624 -5.426 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.303 7.160 -5.097 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.688 8.389 -4.255 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.690 8.334 -3.505 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -1.995 9.426 -4.394 1.00 0.00 O ATOM 0 H ASP A 111 -1.407 5.800 -2.993 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.872 5.776 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -1.218 7.128 -5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.707 7.285 -6.102 1.00 0.00 H new ATOM 1751 N VAL A 112 -2.915 3.675 -5.723 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.369 2.513 -6.433 1.00 0.00 C ATOM 1753 C VAL A 112 -2.430 2.788 -7.927 1.00 0.00 C ATOM 1754 O VAL A 112 -3.484 3.127 -8.466 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.102 1.212 -6.095 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -2.363 -0.008 -6.660 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -3.344 1.071 -4.580 1.00 0.00 C ATOM 0 H VAL A 112 -3.928 3.657 -5.604 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.337 2.370 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.080 1.257 -6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.909 -0.916 -6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.294 0.079 -7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.360 -0.055 -6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.866 0.135 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.388 1.071 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.950 1.907 -4.229 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.285 2.625 -8.580 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.107 2.820 -10.017 1.00 0.00 C ATOM 1769 C VAL A 113 -0.852 1.435 -10.627 1.00 0.00 C ATOM 1770 O VAL A 113 0.176 0.830 -10.311 1.00 0.00 O ATOM 1771 CB VAL A 113 0.040 3.822 -10.283 1.00 0.00 C ATOM 1772 CG1 VAL A 113 0.360 3.930 -11.783 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.323 5.217 -9.749 1.00 0.00 C ATOM 0 H VAL A 113 -0.425 2.344 -8.109 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.991 3.256 -10.482 1.00 0.00 H new ATOM 0 HB VAL A 113 0.920 3.445 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.171 4.643 -11.932 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.662 2.953 -12.162 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.525 4.270 -12.320 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.497 5.907 -9.946 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.225 5.574 -10.247 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.499 5.161 -8.675 1.00 0.00 H new ATOM 1783 N PRO A 114 -1.780 0.892 -11.441 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.616 -0.417 -12.055 1.00 0.00 C ATOM 1785 C PRO A 114 -0.590 -0.329 -13.184 1.00 0.00 C ATOM 1786 O PRO A 114 -0.673 0.543 -14.048 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.002 -0.812 -12.570 1.00 0.00 C ATOM 1788 CG PRO A 114 -3.662 0.529 -12.867 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.078 1.452 -11.799 1.00 0.00 C ATOM 0 HA PRO A 114 -1.244 -1.166 -11.355 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.937 -1.435 -13.462 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.561 -1.379 -11.826 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.428 0.879 -13.873 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.748 0.468 -12.796 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.972 2.468 -12.179 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.733 1.504 -10.929 1.00 0.00 H new ATOM 1797 N VAL A 115 0.362 -1.260 -13.183 1.00 0.00 N ATOM 1798 CA VAL A 115 1.290 -1.464 -14.302 1.00 0.00 C ATOM 1799 C VAL A 115 0.678 -2.529 -15.206 1.00 0.00 C ATOM 1800 O VAL A 115 0.689 -3.712 -14.866 1.00 0.00 O ATOM 1801 CB VAL A 115 2.699 -1.885 -13.819 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.671 -2.068 -14.995 1.00 0.00 C ATOM 1803 CG2 VAL A 115 3.285 -0.860 -12.836 1.00 0.00 C ATOM 0 H VAL A 115 0.515 -1.899 -12.403 1.00 0.00 H new ATOM 0 HA VAL A 115 1.429 -0.528 -14.844 1.00 0.00 H new ATOM 0 HB VAL A 115 2.578 -2.841 -13.309 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.649 -2.363 -14.616 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.292 -2.841 -15.663 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.762 -1.129 -15.541 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.275 -1.187 -12.517 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.364 0.110 -13.326 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.633 -0.776 -11.967 1.00 0.00 H new ATOM 1813 N LYS A 116 0.141 -2.123 -16.358 1.00 0.00 N ATOM 1814 CA LYS A 116 -0.216 -3.064 -17.424 1.00 0.00 C ATOM 1815 C LYS A 116 1.012 -3.432 -18.276 1.00 0.00 C ATOM 1816 O LYS A 116 1.944 -2.639 -18.432 1.00 0.00 O ATOM 1817 CB LYS A 116 -1.352 -2.525 -18.307 1.00 0.00 C ATOM 1818 CG LYS A 116 -2.676 -2.499 -17.534 1.00 0.00 C ATOM 1819 CD LYS A 116 -3.854 -2.105 -18.435 1.00 0.00 C ATOM 1820 CE LYS A 116 -5.127 -2.772 -17.898 1.00 0.00 C ATOM 1821 NZ LYS A 116 -6.314 -2.450 -18.738 1.00 0.00 N ATOM 0 H LYS A 116 -0.057 -1.147 -16.578 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.579 -3.971 -16.941 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.106 -1.520 -18.650 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.456 -3.149 -19.195 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.863 -3.481 -17.100 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.600 -1.794 -16.706 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.972 -1.022 -18.450 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.667 -2.420 -19.462 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.986 -3.852 -17.866 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.306 -2.444 -16.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -7.155 -2.918 -18.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.463 -1.421 -18.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.154 -2.786 -19.709 1.00 0.00 H new ATOM 1835 N ASN A 117 0.988 -4.636 -18.849 1.00 0.00 N ATOM 1836 CA ASN A 117 2.004 -5.110 -19.794 1.00 0.00 C ATOM 1837 C ASN A 117 1.604 -4.828 -21.254 1.00 0.00 C ATOM 1838 O ASN A 117 0.574 -4.212 -21.531 1.00 0.00 O ATOM 1839 CB ASN A 117 2.302 -6.595 -19.517 1.00 0.00 C ATOM 1840 CG ASN A 117 1.296 -7.557 -20.133 1.00 0.00 C ATOM 1841 OD1 ASN A 117 1.570 -8.177 -21.147 1.00 0.00 O ATOM 1842 ND2 ASN A 117 0.095 -7.669 -19.597 1.00 0.00 N ATOM 0 H ASN A 117 0.253 -5.320 -18.668 1.00 0.00 H new ATOM 0 HA ASN A 117 2.928 -4.552 -19.643 1.00 0.00 H new ATOM 0 HB2 ASN A 117 3.295 -6.832 -19.898 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.328 -6.754 -18.439 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -0.603 -8.274 -20.031 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -0.135 -7.151 -18.749 1.00 0.00 H new ATOM 1849 N GLU A 118 2.405 -5.347 -22.182 1.00 0.00 N ATOM 1850 CA GLU A 118 2.205 -5.229 -23.636 1.00 0.00 C ATOM 1851 C GLU A 118 0.878 -5.831 -24.157 1.00 0.00 C ATOM 1852 O GLU A 118 0.404 -5.422 -25.220 1.00 0.00 O ATOM 1853 CB GLU A 118 3.408 -5.845 -24.374 1.00 0.00 C ATOM 1854 CG GLU A 118 3.678 -7.313 -24.007 1.00 0.00 C ATOM 1855 CD GLU A 118 4.761 -7.915 -24.913 1.00 0.00 C ATOM 1856 OE1 GLU A 118 4.433 -8.414 -26.016 1.00 0.00 O ATOM 1857 OE2 GLU A 118 5.956 -7.895 -24.530 1.00 0.00 O ATOM 0 H GLU A 118 3.241 -5.880 -21.941 1.00 0.00 H new ATOM 0 HA GLU A 118 2.132 -4.162 -23.847 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.238 -5.775 -25.448 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.298 -5.256 -24.153 1.00 0.00 H new ATOM 0 HG2 GLU A 118 3.992 -7.380 -22.965 1.00 0.00 H new ATOM 0 HG3 GLU A 118 2.758 -7.890 -24.100 1.00 0.00 H new ATOM 1864 N ASP A 119 0.249 -6.758 -23.422 1.00 0.00 N ATOM 1865 CA ASP A 119 -1.049 -7.367 -23.770 1.00 0.00 C ATOM 1866 C ASP A 119 -2.252 -6.646 -23.121 1.00 0.00 C ATOM 1867 O ASP A 119 -3.401 -7.043 -23.327 1.00 0.00 O ATOM 1868 CB ASP A 119 -1.038 -8.861 -23.389 1.00 0.00 C ATOM 1869 CG ASP A 119 -0.098 -9.698 -24.275 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -0.300 -9.720 -25.515 1.00 0.00 O ATOM 1871 OD2 ASP A 119 0.802 -10.383 -23.732 1.00 0.00 O ATOM 0 H ASP A 119 0.635 -7.116 -22.548 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.178 -7.260 -24.847 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -0.734 -8.963 -22.347 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -2.050 -9.258 -23.466 1.00 0.00 H new ATOM 1876 N GLY A 120 -2.004 -5.593 -22.328 1.00 0.00 N ATOM 1877 CA GLY A 120 -3.042 -4.796 -21.662 1.00 0.00 C ATOM 1878 C GLY A 120 -3.641 -5.448 -20.411 1.00 0.00 C ATOM 1879 O GLY A 120 -4.729 -5.058 -19.995 1.00 0.00 O ATOM 0 H GLY A 120 -1.058 -5.266 -22.129 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.619 -3.830 -21.385 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -3.844 -4.600 -22.374 1.00 0.00 H new ATOM 1883 N ALA A 121 -2.940 -6.410 -19.797 1.00 0.00 N ATOM 1884 CA ALA A 121 -3.299 -7.002 -18.501 1.00 0.00 C ATOM 1885 C ALA A 121 -2.459 -6.349 -17.402 1.00 0.00 C ATOM 1886 O ALA A 121 -1.276 -6.088 -17.628 1.00 0.00 O ATOM 1887 CB ALA A 121 -3.065 -8.523 -18.525 1.00 0.00 C ATOM 0 H ALA A 121 -2.089 -6.807 -20.196 1.00 0.00 H new ATOM 0 HA ALA A 121 -4.356 -6.825 -18.301 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.335 -8.948 -17.558 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.680 -8.973 -19.304 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.014 -8.726 -18.730 1.00 0.00 H new ATOM 1893 N VAL A 122 -3.029 -6.108 -16.224 1.00 0.00 N ATOM 1894 CA VAL A 122 -2.272 -5.583 -15.071 1.00 0.00 C ATOM 1895 C VAL A 122 -1.438 -6.702 -14.442 1.00 0.00 C ATOM 1896 O VAL A 122 -1.950 -7.724 -13.994 1.00 0.00 O ATOM 1897 CB VAL A 122 -3.132 -4.792 -14.061 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -4.365 -5.560 -13.587 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -2.302 -4.305 -12.865 1.00 0.00 C ATOM 0 H VAL A 122 -4.019 -6.266 -16.034 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.581 -4.827 -15.444 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.495 -3.920 -14.605 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.925 -4.948 -12.880 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.998 -5.796 -14.443 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.053 -6.484 -13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.943 -3.753 -12.178 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.870 -5.162 -12.349 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.503 -3.653 -13.218 1.00 0.00 H new ATOM 1909 N ILE A 123 -0.123 -6.486 -14.456 1.00 0.00 N ATOM 1910 CA ILE A 123 0.912 -7.450 -14.031 1.00 0.00 C ATOM 1911 C ILE A 123 1.563 -7.089 -12.689 1.00 0.00 C ATOM 1912 O ILE A 123 2.102 -7.958 -12.011 1.00 0.00 O ATOM 1913 CB ILE A 123 1.979 -7.570 -15.143 1.00 0.00 C ATOM 1914 CG1 ILE A 123 2.520 -6.182 -15.581 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.382 -8.346 -16.327 1.00 0.00 C ATOM 1916 CD1 ILE A 123 3.969 -6.163 -16.050 1.00 0.00 C ATOM 0 H ILE A 123 0.274 -5.602 -14.775 1.00 0.00 H new ATOM 0 HA ILE A 123 0.422 -8.411 -13.874 1.00 0.00 H new ATOM 0 HB ILE A 123 2.836 -8.118 -14.752 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.890 -5.803 -16.386 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.418 -5.491 -14.744 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.128 -8.436 -17.117 1.00 0.00 H new ATOM 0 HG22 ILE A 123 1.082 -9.341 -15.996 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.511 -7.813 -16.709 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.247 -5.148 -16.333 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.617 -6.505 -15.243 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.082 -6.823 -16.910 1.00 0.00 H new ATOM 1928 N MET A 124 1.454 -5.828 -12.266 1.00 0.00 N ATOM 1929 CA MET A 124 2.088 -5.247 -11.077 1.00 0.00 C ATOM 1930 C MET A 124 1.322 -4.007 -10.613 1.00 0.00 C ATOM 1931 O MET A 124 0.660 -3.340 -11.405 1.00 0.00 O ATOM 1932 CB MET A 124 3.543 -4.882 -11.418 1.00 0.00 C ATOM 1933 CG MET A 124 4.545 -5.975 -11.026 1.00 0.00 C ATOM 1934 SD MET A 124 6.136 -5.949 -11.899 1.00 0.00 S ATOM 1935 CE MET A 124 6.372 -4.169 -12.112 1.00 0.00 C ATOM 0 H MET A 124 0.890 -5.145 -12.771 1.00 0.00 H new ATOM 0 HA MET A 124 2.074 -5.974 -10.265 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.622 -4.692 -12.488 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.808 -3.955 -10.909 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.739 -5.895 -9.956 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.077 -6.945 -11.193 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.416 -3.966 -12.351 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.738 -3.813 -12.924 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.104 -3.654 -11.190 1.00 0.00 H new ATOM 1945 N PHE A 125 1.460 -3.673 -9.336 1.00 0.00 N ATOM 1946 CA PHE A 125 0.894 -2.476 -8.714 1.00 0.00 C ATOM 1947 C PHE A 125 2.011 -1.649 -8.089 1.00 0.00 C ATOM 1948 O PHE A 125 2.848 -2.183 -7.366 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.125 -2.915 -7.654 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.357 -3.577 -8.232 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.269 -2.811 -8.983 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.592 -4.948 -8.027 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.413 -3.416 -9.526 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -2.733 -5.552 -8.581 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.636 -4.789 -9.341 1.00 0.00 C ATOM 0 H PHE A 125 1.988 -4.247 -8.679 1.00 0.00 H new ATOM 0 HA PHE A 125 0.392 -1.858 -9.458 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.358 -3.606 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.430 -2.044 -7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.088 -1.758 -9.141 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.897 -5.535 -7.445 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.122 -2.825 -10.086 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.917 -6.604 -8.423 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.502 -5.260 -9.783 1.00 0.00 H new ATOM 1965 N ILE A 126 1.996 -0.339 -8.335 1.00 0.00 N ATOM 1966 CA ILE A 126 2.811 0.637 -7.601 1.00 0.00 C ATOM 1967 C ILE A 126 1.859 1.313 -6.621 1.00 0.00 C ATOM 1968 O ILE A 126 0.913 1.965 -7.062 1.00 0.00 O ATOM 1969 CB ILE A 126 3.468 1.668 -8.552 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.287 0.990 -9.675 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.362 2.620 -7.730 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.683 1.955 -10.799 1.00 0.00 C ATOM 0 H ILE A 126 1.412 0.082 -9.057 1.00 0.00 H new ATOM 0 HA ILE A 126 3.639 0.150 -7.085 1.00 0.00 H new ATOM 0 HB ILE A 126 2.674 2.233 -9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 126 5.188 0.553 -9.245 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.705 0.170 -10.096 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.827 3.348 -8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.755 3.141 -6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.137 2.045 -7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.255 1.418 -11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.785 2.373 -11.253 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.291 2.761 -10.389 1.00 0.00 H new ATOM 1984 N LEU A 127 2.063 1.131 -5.320 1.00 0.00 N ATOM 1985 CA LEU A 127 1.258 1.757 -4.275 1.00 0.00 C ATOM 1986 C LEU A 127 2.029 2.972 -3.790 1.00 0.00 C ATOM 1987 O LEU A 127 3.153 2.818 -3.318 1.00 0.00 O ATOM 1988 CB LEU A 127 1.029 0.777 -3.113 1.00 0.00 C ATOM 1989 CG LEU A 127 0.032 -0.359 -3.415 1.00 0.00 C ATOM 1990 CD1 LEU A 127 0.635 -1.431 -4.337 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.461 -0.939 -2.086 1.00 0.00 C ATOM 0 H LEU A 127 2.805 0.534 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 127 0.280 2.043 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.986 0.337 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.670 1.337 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.819 0.043 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.105 -2.210 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.925 -0.975 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 127 1.512 -1.869 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.168 -1.745 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 127 0.387 -1.328 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -0.953 -0.157 -1.508 1.00 0.00 H new ATOM 2003 N ASN A 128 1.446 4.161 -3.918 1.00 0.00 N ATOM 2004 CA ASN A 128 2.119 5.409 -3.518 1.00 0.00 C ATOM 2005 C ASN A 128 1.458 6.032 -2.283 1.00 0.00 C ATOM 2006 O ASN A 128 0.236 6.110 -2.225 1.00 0.00 O ATOM 2007 CB ASN A 128 2.182 6.444 -4.652 1.00 0.00 C ATOM 2008 CG ASN A 128 2.485 5.875 -6.035 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.603 5.939 -6.530 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.488 5.326 -6.702 1.00 0.00 N ATOM 0 H ASN A 128 0.508 4.294 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 128 3.143 5.128 -3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 128 1.229 6.971 -4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.944 7.183 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.646 4.951 -7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.560 5.277 -6.282 1.00 0.00 H new ATOM 2017 N PHE A 129 2.257 6.491 -1.316 1.00 0.00 N ATOM 2018 CA PHE A 129 1.803 7.024 -0.031 1.00 0.00 C ATOM 2019 C PHE A 129 2.073 8.535 0.078 1.00 0.00 C ATOM 2020 O PHE A 129 3.155 9.001 -0.282 1.00 0.00 O ATOM 2021 CB PHE A 129 2.510 6.249 1.099 1.00 0.00 C ATOM 2022 CG PHE A 129 2.514 4.730 0.990 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.379 4.035 0.529 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.662 4.008 1.368 1.00 0.00 C ATOM 2025 CE1 PHE A 129 1.384 2.631 0.469 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.671 2.603 1.301 1.00 0.00 C ATOM 2027 CZ PHE A 129 2.527 1.915 0.860 1.00 0.00 C ATOM 0 H PHE A 129 3.273 6.502 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 129 0.724 6.893 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.544 6.589 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.039 6.521 2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.501 4.583 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.540 4.535 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.508 2.102 0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.555 2.054 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.527 0.836 0.822 1.00 0.00 H new ATOM 2037 N GLU A 130 1.120 9.295 0.620 1.00 0.00 N ATOM 2038 CA GLU A 130 1.230 10.734 0.890 1.00 0.00 C ATOM 2039 C GLU A 130 0.489 11.080 2.187 1.00 0.00 C ATOM 2040 O GLU A 130 -0.630 10.625 2.389 1.00 0.00 O ATOM 2041 CB GLU A 130 0.627 11.550 -0.272 1.00 0.00 C ATOM 2042 CG GLU A 130 1.582 11.662 -1.470 1.00 0.00 C ATOM 2043 CD GLU A 130 1.225 12.852 -2.374 1.00 0.00 C ATOM 2044 OE1 GLU A 130 0.159 12.833 -3.034 1.00 0.00 O ATOM 2045 OE2 GLU A 130 2.025 13.816 -2.439 1.00 0.00 O ATOM 0 H GLU A 130 0.215 8.913 0.894 1.00 0.00 H new ATOM 0 HA GLU A 130 2.286 10.985 0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.303 11.083 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.375 12.550 0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.605 11.773 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.546 10.740 -2.051 1.00 0.00 H new ATOM 2052 N VAL A 131 1.071 11.908 3.059 1.00 0.00 N ATOM 2053 CA VAL A 131 0.393 12.356 4.295 1.00 0.00 C ATOM 2054 C VAL A 131 -0.640 13.418 3.919 1.00 0.00 C ATOM 2055 O VAL A 131 -0.275 14.491 3.438 1.00 0.00 O ATOM 2056 CB VAL A 131 1.370 12.891 5.368 1.00 0.00 C ATOM 2057 CG1 VAL A 131 0.614 13.240 6.664 1.00 0.00 C ATOM 2058 CG2 VAL A 131 2.453 11.848 5.678 1.00 0.00 C ATOM 0 H VAL A 131 2.011 12.286 2.938 1.00 0.00 H new ATOM 0 HA VAL A 131 -0.092 11.492 4.749 1.00 0.00 H new ATOM 0 HB VAL A 131 1.840 13.792 4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.319 13.615 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.133 14.005 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.121 12.347 7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.131 12.242 6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.985 10.936 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.013 11.624 4.770 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.923 13.104 4.119 1.00 0.00 N ATOM 2069 CA VAL A 132 -3.045 13.956 3.677 1.00 0.00 C ATOM 2070 C VAL A 132 -3.616 14.836 4.798 1.00 0.00 C ATOM 2071 O VAL A 132 -4.146 15.909 4.509 1.00 0.00 O ATOM 2072 CB VAL A 132 -4.139 13.127 2.963 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -5.068 12.347 3.883 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.953 13.980 1.977 1.00 0.00 C ATOM 0 H VAL A 132 -2.220 12.251 4.593 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.634 14.651 2.945 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.576 12.374 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.797 11.800 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.485 11.643 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.588 13.038 4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.710 13.359 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.439 14.794 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.288 14.393 1.218 1.00 0.00 H new ATOM 2084 N MET A 133 -3.471 14.423 6.068 1.00 0.00 N ATOM 2085 CA MET A 133 -3.955 15.169 7.239 1.00 0.00 C ATOM 2086 C MET A 133 -3.335 14.645 8.543 1.00 0.00 C ATOM 2087 O MET A 133 -3.388 13.450 8.823 1.00 0.00 O ATOM 2088 CB MET A 133 -5.500 15.128 7.261 1.00 0.00 C ATOM 2089 CG MET A 133 -6.130 15.739 8.516 1.00 0.00 C ATOM 2090 SD MET A 133 -5.698 17.466 8.876 1.00 0.00 S ATOM 2091 CE MET A 133 -6.445 18.288 7.445 1.00 0.00 C ATOM 0 H MET A 133 -3.007 13.548 6.312 1.00 0.00 H new ATOM 0 HA MET A 133 -3.638 16.209 7.160 1.00 0.00 H new ATOM 0 HB2 MET A 133 -5.878 15.656 6.385 1.00 0.00 H new ATOM 0 HB3 MET A 133 -5.825 14.091 7.173 1.00 0.00 H new ATOM 0 HG2 MET A 133 -7.214 15.670 8.423 1.00 0.00 H new ATOM 0 HG3 MET A 133 -5.845 15.129 9.373 1.00 0.00 H new ATOM 0 HE1 MET A 133 -6.380 19.369 7.571 1.00 0.00 H new ATOM 0 HE2 MET A 133 -5.914 17.996 6.539 1.00 0.00 H new ATOM 0 HE3 MET A 133 -7.492 17.995 7.362 1.00 0.00 H new ATOM 2101 N GLU A 134 -2.759 15.531 9.357 1.00 0.00 N ATOM 2102 CA GLU A 134 -2.117 15.171 10.626 1.00 0.00 C ATOM 2103 C GLU A 134 -3.145 15.081 11.770 1.00 0.00 C ATOM 2104 O GLU A 134 -3.918 16.019 11.998 1.00 0.00 O ATOM 2105 CB GLU A 134 -0.999 16.181 10.935 1.00 0.00 C ATOM 2106 CG GLU A 134 -0.144 15.763 12.135 1.00 0.00 C ATOM 2107 CD GLU A 134 1.004 16.757 12.357 1.00 0.00 C ATOM 2108 OE1 GLU A 134 0.804 17.777 13.059 1.00 0.00 O ATOM 2109 OE2 GLU A 134 2.121 16.528 11.832 1.00 0.00 O ATOM 0 H GLU A 134 -2.724 16.530 9.153 1.00 0.00 H new ATOM 0 HA GLU A 134 -1.673 14.180 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -0.360 16.290 10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -1.441 17.158 11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -0.765 15.711 13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.260 14.764 11.969 1.00 0.00 H new ATOM 2116 N LYS A 135 -3.144 13.952 12.497 1.00 0.00 N ATOM 2117 CA LYS A 135 -3.969 13.724 13.700 1.00 0.00 C ATOM 2118 C LYS A 135 -3.242 14.084 15.008 1.00 0.00 C ATOM 2119 O LYS A 135 -3.920 14.594 15.931 1.00 0.00 O ATOM 2120 CB LYS A 135 -4.467 12.270 13.720 1.00 0.00 C ATOM 2121 CG LYS A 135 -5.421 11.886 12.570 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.854 12.445 12.696 1.00 0.00 C ATOM 2123 CE LYS A 135 -7.016 13.862 12.119 1.00 0.00 C ATOM 2124 NZ LYS A 135 -8.426 14.338 12.205 1.00 0.00 N ATOM 2125 OXT LYS A 135 -2.012 13.872 15.123 1.00 0.00 O ATOM 0 H LYS A 135 -2.557 13.152 12.261 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.824 14.398 13.642 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.603 11.606 13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.975 12.090 14.667 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.992 12.235 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -5.475 10.799 12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -7.543 11.773 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.140 12.455 13.748 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.367 14.551 12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.693 13.869 11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -8.494 15.296 11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -9.043 13.695 11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -8.726 14.355 13.201 1.00 0.00 H new