USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 87 THR OG1 : rot -158:sc= -0.811! USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.23 K(o=-2,f=-7.1!) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= -0.343 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=0.18) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 168:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -7.98! C(o=-8!,f=-2.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 22 THR OG1 : rot 55:sc= 0.241 USER MOD Single : A 25 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-5.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0155 K(o=-0.016,f=-1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 147:sc= -1.19 (180deg=-3.71) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 48 SER OG : rot 46:sc= -0.411 USER MOD Single : A 56 CYS SG : rot 50:sc= -2.19! USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= -1.29 (180deg=-1.38) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0142 (180deg=-0.194) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -7.58! C(o=-7.6!,f=-13!) USER MOD Single : A 92 TYR OH : rot -101:sc= 0.0158 USER MOD Single : A 93 THR OG1 : rot 30:sc= -1.28 USER MOD Single : A 100 LYS NZ :NH3+ -138:sc= 0.471 (180deg=-1.36) USER MOD Single : A 103 ASN : amide:sc= -1.97 K(o=-2,f=-4.6!) USER MOD Single : A 106 TYR OH : rot 30:sc= -0.612 USER MOD Single : A 107 THR OG1 : rot 143:sc= 0.856 USER MOD Single : A 111 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.42) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.165 -8.365 11.816 1.00 0.00 N ATOM 180 CA ASN A 10 -0.028 -7.143 11.045 1.00 0.00 C ATOM 181 C ASN A 10 1.423 -6.692 10.966 1.00 0.00 C ATOM 182 O ASN A 10 2.160 -7.079 10.059 1.00 0.00 O ATOM 183 CB ASN A 10 -0.882 -6.031 11.658 1.00 0.00 C ATOM 184 CG ASN A 10 -1.009 -6.116 13.165 1.00 0.00 C ATOM 185 OD1 ASN A 10 -1.033 -7.199 13.749 1.00 0.00 O ATOM 186 ND2 ASN A 10 -1.095 -4.959 13.808 1.00 0.00 N ATOM 0 HA ASN A 10 -0.374 -7.351 10.033 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.449 -5.066 11.393 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.878 -6.066 11.217 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.185 -4.946 14.824 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.071 -4.083 13.286 1.00 0.00 H new ATOM 193 N ASP A 11 1.816 -5.866 11.924 1.00 0.00 N ATOM 194 CA ASP A 11 3.163 -5.336 11.991 1.00 0.00 C ATOM 195 C ASP A 11 4.199 -6.436 11.811 1.00 0.00 C ATOM 196 O ASP A 11 4.437 -7.239 12.711 1.00 0.00 O ATOM 197 CB ASP A 11 3.380 -4.626 13.325 1.00 0.00 C ATOM 198 CG ASP A 11 2.437 -3.457 13.527 1.00 0.00 C ATOM 199 OD1 ASP A 11 1.208 -3.667 13.466 1.00 0.00 O ATOM 200 OD2 ASP A 11 2.929 -2.331 13.751 1.00 0.00 O ATOM 0 H ASP A 11 1.206 -5.546 12.676 1.00 0.00 H new ATOM 0 HA ASP A 11 3.285 -4.621 11.178 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.246 -5.340 14.138 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.409 -4.271 13.379 1.00 0.00 H new ATOM 205 N LYS A 12 4.793 -6.469 10.629 1.00 0.00 N ATOM 206 CA LYS A 12 5.816 -7.449 10.306 1.00 0.00 C ATOM 207 C LYS A 12 7.207 -6.843 10.503 1.00 0.00 C ATOM 208 O LYS A 12 7.760 -6.217 9.601 1.00 0.00 O ATOM 209 CB LYS A 12 5.631 -7.924 8.864 1.00 0.00 C ATOM 210 CG LYS A 12 6.756 -8.802 8.363 1.00 0.00 C ATOM 211 CD LYS A 12 6.797 -10.136 9.089 1.00 0.00 C ATOM 212 CE LYS A 12 7.793 -11.082 8.446 1.00 0.00 C ATOM 213 NZ LYS A 12 7.980 -12.324 9.246 1.00 0.00 N ATOM 0 H LYS A 12 4.581 -5.821 9.871 1.00 0.00 H new ATOM 0 HA LYS A 12 5.721 -8.306 10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.693 -8.474 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.543 -7.054 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.634 -8.974 7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.707 -8.286 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.066 -9.976 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.805 -10.588 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.450 -11.344 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.752 -10.576 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.668 -12.942 8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.332 -12.077 10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.071 -12.821 9.333 1.00 0.00 H new ATOM 227 N TRP A 13 7.759 -7.036 11.699 1.00 0.00 N ATOM 228 CA TRP A 13 9.066 -6.501 12.052 1.00 0.00 C ATOM 229 C TRP A 13 10.194 -7.404 11.561 1.00 0.00 C ATOM 230 O TRP A 13 10.459 -8.453 12.148 1.00 0.00 O ATOM 231 CB TRP A 13 9.137 -6.326 13.573 1.00 0.00 C ATOM 232 CG TRP A 13 7.842 -5.849 14.170 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.720 -6.596 14.388 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.531 -4.521 14.622 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.724 -5.814 14.921 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.197 -4.538 15.079 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.245 -3.322 14.680 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.562 -3.401 15.580 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.617 -2.196 15.183 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.287 -2.242 15.624 1.00 0.00 C ATOM 0 H TRP A 13 7.312 -7.567 12.447 1.00 0.00 H new ATOM 0 HA TRP A 13 9.194 -5.535 11.563 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.413 -7.276 14.030 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.926 -5.614 13.815 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.629 -7.650 14.172 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.785 -6.132 15.160 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.268 -3.274 14.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.537 -3.435 15.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.161 -1.265 15.237 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.825 -1.344 16.006 1.00 0.00 H new ATOM 251 N VAL A 14 10.860 -6.988 10.479 1.00 0.00 N ATOM 252 CA VAL A 14 11.962 -7.773 9.917 1.00 0.00 C ATOM 253 C VAL A 14 12.991 -6.898 9.219 1.00 0.00 C ATOM 254 O VAL A 14 12.925 -5.673 9.276 1.00 0.00 O ATOM 255 CB VAL A 14 11.457 -8.830 8.917 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.825 -10.001 9.652 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.485 -8.210 7.925 1.00 0.00 C ATOM 0 H VAL A 14 10.658 -6.122 9.980 1.00 0.00 H new ATOM 0 HA VAL A 14 12.434 -8.270 10.765 1.00 0.00 H new ATOM 0 HB VAL A 14 12.309 -9.209 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.474 -10.738 8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.564 -10.460 10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.983 -9.646 10.246 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.140 -8.974 7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.631 -7.797 8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.986 -7.414 7.373 1.00 0.00 H new ATOM 267 N ASP A 15 13.946 -7.557 8.572 1.00 0.00 N ATOM 268 CA ASP A 15 15.015 -6.880 7.850 1.00 0.00 C ATOM 269 C ASP A 15 14.738 -6.876 6.349 1.00 0.00 C ATOM 270 O ASP A 15 13.753 -7.455 5.893 1.00 0.00 O ATOM 271 CB ASP A 15 16.337 -7.586 8.140 1.00 0.00 C ATOM 272 CG ASP A 15 17.045 -7.024 9.357 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.630 -7.351 10.489 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.014 -6.256 9.179 1.00 0.00 O ATOM 0 H ASP A 15 14.000 -8.575 8.534 1.00 0.00 H new ATOM 0 HA ASP A 15 15.070 -5.844 8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.151 -8.649 8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.990 -7.497 7.272 1.00 0.00 H new ATOM 279 N THR A 16 15.613 -6.224 5.581 1.00 0.00 N ATOM 280 CA THR A 16 15.445 -6.152 4.130 1.00 0.00 C ATOM 281 C THR A 16 16.625 -5.451 3.462 1.00 0.00 C ATOM 282 O THR A 16 17.591 -5.072 4.122 1.00 0.00 O ATOM 283 CB THR A 16 14.146 -5.409 3.758 1.00 0.00 C ATOM 284 OG1 THR A 16 13.668 -5.861 2.485 1.00 0.00 O ATOM 285 CG2 THR A 16 14.367 -3.902 3.707 1.00 0.00 C ATOM 0 H THR A 16 16.439 -5.742 5.937 1.00 0.00 H new ATOM 0 HA THR A 16 15.393 -7.179 3.769 1.00 0.00 H new ATOM 0 HB THR A 16 13.406 -5.626 4.528 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.842 -5.385 2.258 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.433 -3.406 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.701 -3.550 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.125 -3.671 2.959 1.00 0.00 H new ATOM 293 N HIS A 17 16.534 -5.284 2.144 1.00 0.00 N ATOM 294 CA HIS A 17 17.578 -4.614 1.378 1.00 0.00 C ATOM 295 C HIS A 17 17.000 -3.396 0.664 1.00 0.00 C ATOM 296 O HIS A 17 15.890 -2.965 0.969 1.00 0.00 O ATOM 297 CB HIS A 17 18.206 -5.574 0.366 1.00 0.00 C ATOM 298 CG HIS A 17 18.730 -6.833 0.982 1.00 0.00 C ATOM 299 ND1 HIS A 17 20.073 -7.059 1.207 1.00 0.00 N ATOM 300 CD2 HIS A 17 18.087 -7.943 1.420 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.232 -8.251 1.754 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.043 -8.806 1.895 1.00 0.00 N ATOM 0 H HIS A 17 15.744 -5.606 1.584 1.00 0.00 H new ATOM 0 HA HIS A 17 18.357 -4.285 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.463 -5.830 -0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 17 19.021 -5.065 -0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.021 -8.116 1.399 1.00 0.00 H new ATOM 0 HE1 HIS A 17 21.175 -8.696 2.038 1.00 0.00 H new ATOM 0 HE2 HIS A 17 18.863 -9.728 2.293 1.00 0.00 H new ATOM 311 N VAL A 18 17.744 -2.846 -0.291 1.00 0.00 N ATOM 312 CA VAL A 18 17.286 -1.667 -1.022 1.00 0.00 C ATOM 313 C VAL A 18 16.432 -2.037 -2.232 1.00 0.00 C ATOM 314 O VAL A 18 16.754 -2.957 -2.984 1.00 0.00 O ATOM 315 CB VAL A 18 18.471 -0.802 -1.492 1.00 0.00 C ATOM 316 CG1 VAL A 18 17.974 0.487 -2.133 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.408 -0.502 -0.331 1.00 0.00 C ATOM 0 H VAL A 18 18.660 -3.194 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 18 16.674 -1.096 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 18 19.028 -1.362 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.826 1.084 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.349 0.248 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.391 1.053 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.239 0.110 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.864 0.036 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.793 -1.437 0.077 1.00 0.00 H new ATOM 327 N GLY A 19 15.338 -1.300 -2.403 1.00 0.00 N ATOM 328 CA GLY A 19 14.433 -1.524 -3.518 1.00 0.00 C ATOM 329 C GLY A 19 13.802 -2.899 -3.520 1.00 0.00 C ATOM 330 O GLY A 19 13.212 -3.303 -4.521 1.00 0.00 O ATOM 0 H GLY A 19 15.059 -0.542 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.645 -0.772 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.978 -1.382 -4.451 1.00 0.00 H new ATOM 334 N LYS A 20 13.934 -3.630 -2.416 1.00 0.00 N ATOM 335 CA LYS A 20 13.341 -4.955 -2.316 1.00 0.00 C ATOM 336 C LYS A 20 11.831 -4.859 -2.495 1.00 0.00 C ATOM 337 O LYS A 20 11.081 -4.792 -1.521 1.00 0.00 O ATOM 338 CB LYS A 20 13.675 -5.588 -0.965 1.00 0.00 C ATOM 339 CG LYS A 20 13.937 -7.076 -1.043 1.00 0.00 C ATOM 340 CD LYS A 20 15.362 -7.331 -1.476 1.00 0.00 C ATOM 341 CE LYS A 20 15.804 -8.750 -1.156 1.00 0.00 C ATOM 342 NZ LYS A 20 17.205 -9.006 -1.586 1.00 0.00 N ATOM 0 H LYS A 20 14.443 -3.328 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 20 13.753 -5.587 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.553 -5.094 -0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.851 -5.408 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.756 -7.536 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.246 -7.538 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.453 -7.155 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.025 -6.623 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.716 -8.924 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.138 -9.458 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.536 -9.902 -1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.244 -9.066 -2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.815 -8.229 -1.260 1.00 0.00 H new ATOM 356 N THR A 21 11.396 -4.839 -3.750 1.00 0.00 N ATOM 357 CA THR A 21 9.980 -4.730 -4.071 1.00 0.00 C ATOM 358 C THR A 21 9.169 -5.821 -3.386 1.00 0.00 C ATOM 359 O THR A 21 9.107 -6.954 -3.861 1.00 0.00 O ATOM 360 CB THR A 21 9.738 -4.802 -5.589 1.00 0.00 C ATOM 361 OG1 THR A 21 10.743 -4.055 -6.284 1.00 0.00 O ATOM 362 CG2 THR A 21 8.363 -4.255 -5.940 1.00 0.00 C ATOM 0 H THR A 21 12.008 -4.897 -4.564 1.00 0.00 H new ATOM 0 HA THR A 21 9.652 -3.757 -3.704 1.00 0.00 H new ATOM 0 HB THR A 21 9.789 -5.847 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.581 -4.108 -7.249 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.212 -4.315 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.597 -4.842 -5.433 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.293 -3.215 -5.621 1.00 0.00 H new ATOM 370 N THR A 22 8.554 -5.468 -2.265 1.00 0.00 N ATOM 371 CA THR A 22 7.743 -6.414 -1.513 1.00 0.00 C ATOM 372 C THR A 22 6.274 -6.271 -1.877 1.00 0.00 C ATOM 373 O THR A 22 5.592 -5.352 -1.419 1.00 0.00 O ATOM 374 CB THR A 22 7.919 -6.224 0.007 1.00 0.00 C ATOM 375 OG1 THR A 22 9.283 -6.457 0.374 1.00 0.00 O ATOM 376 CG2 THR A 22 7.014 -7.168 0.785 1.00 0.00 C ATOM 0 H THR A 22 8.602 -4.534 -1.857 1.00 0.00 H new ATOM 0 HA THR A 22 8.083 -7.415 -1.778 1.00 0.00 H new ATOM 0 HB THR A 22 7.643 -5.199 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.869 -5.881 -0.160 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.159 -7.012 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.974 -6.970 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.260 -8.199 0.532 1.00 0.00 H new ATOM 384 N GLU A 23 5.804 -7.183 -2.720 1.00 0.00 N ATOM 385 CA GLU A 23 4.426 -7.191 -3.163 1.00 0.00 C ATOM 386 C GLU A 23 3.534 -7.869 -2.138 1.00 0.00 C ATOM 387 O GLU A 23 3.849 -8.951 -1.643 1.00 0.00 O ATOM 388 CB GLU A 23 4.327 -7.916 -4.497 1.00 0.00 C ATOM 389 CG GLU A 23 2.963 -7.793 -5.142 1.00 0.00 C ATOM 390 CD GLU A 23 2.954 -8.271 -6.581 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.075 -9.495 -6.801 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.830 -7.421 -7.488 1.00 0.00 O ATOM 0 H GLU A 23 6.371 -7.935 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 23 4.090 -6.161 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.080 -7.518 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.558 -8.971 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.240 -8.371 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.641 -6.752 -5.107 1.00 0.00 H new ATOM 399 N ILE A 24 2.419 -7.227 -1.822 1.00 0.00 N ATOM 400 CA ILE A 24 1.485 -7.768 -0.854 1.00 0.00 C ATOM 401 C ILE A 24 0.047 -7.665 -1.333 1.00 0.00 C ATOM 402 O ILE A 24 -0.559 -6.596 -1.284 1.00 0.00 O ATOM 403 CB ILE A 24 1.603 -7.039 0.491 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.054 -7.054 0.975 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.677 -7.676 1.518 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.268 -6.353 2.298 1.00 0.00 C ATOM 0 H ILE A 24 2.142 -6.331 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 24 1.744 -8.820 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 24 1.300 -6.000 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.385 -8.088 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.683 -6.583 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.770 -7.150 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.353 -7.613 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.950 -8.722 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.322 -6.407 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.970 -5.308 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.667 -6.837 3.068 1.00 0.00 H new ATOM 418 N HIS A 25 -0.488 -8.781 -1.807 1.00 0.00 N ATOM 419 CA HIS A 25 -1.866 -8.831 -2.262 1.00 0.00 C ATOM 420 C HIS A 25 -2.785 -9.052 -1.070 1.00 0.00 C ATOM 421 O HIS A 25 -2.955 -10.177 -0.602 1.00 0.00 O ATOM 422 CB HIS A 25 -2.063 -9.951 -3.278 1.00 0.00 C ATOM 423 CG HIS A 25 -0.938 -10.091 -4.254 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.136 -11.209 -4.323 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.490 -9.249 -5.214 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.758 -11.049 -5.282 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.564 -9.867 -5.839 1.00 0.00 N ATOM 0 H HIS A 25 0.015 -9.665 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.108 -7.884 -2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.188 -10.894 -2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.987 -9.771 -3.827 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.220 -12.032 -3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.888 -8.272 -5.445 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.518 -11.763 -5.563 1.00 0.00 H new ATOM 436 N LEU A 26 -3.371 -7.970 -0.583 1.00 0.00 N ATOM 437 CA LEU A 26 -4.261 -8.036 0.566 1.00 0.00 C ATOM 438 C LEU A 26 -5.700 -8.204 0.111 1.00 0.00 C ATOM 439 O LEU A 26 -6.080 -7.717 -0.949 1.00 0.00 O ATOM 440 CB LEU A 26 -4.135 -6.765 1.404 1.00 0.00 C ATOM 441 CG LEU A 26 -2.719 -6.429 1.883 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.612 -4.949 2.216 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.344 -7.272 3.094 1.00 0.00 C ATOM 0 H LEU A 26 -3.246 -7.033 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.977 -8.896 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.510 -5.926 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.782 -6.860 2.276 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.022 -6.659 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.601 -4.725 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.836 -4.359 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.322 -4.701 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.335 -7.016 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.045 -7.076 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.383 -8.328 2.828 1.00 0.00 H new ATOM 455 N LYS A 27 -6.497 -8.886 0.913 1.00 0.00 N ATOM 456 CA LYS A 27 -7.895 -9.101 0.574 1.00 0.00 C ATOM 457 C LYS A 27 -8.785 -8.169 1.380 1.00 0.00 C ATOM 458 O LYS A 27 -8.378 -7.650 2.420 1.00 0.00 O ATOM 459 CB LYS A 27 -8.295 -10.554 0.815 1.00 0.00 C ATOM 460 CG LYS A 27 -7.245 -11.553 0.353 1.00 0.00 C ATOM 461 CD LYS A 27 -7.757 -12.982 0.445 1.00 0.00 C ATOM 462 CE LYS A 27 -6.707 -13.980 -0.012 1.00 0.00 C ATOM 463 NZ LYS A 27 -7.200 -15.383 0.066 1.00 0.00 N ATOM 0 H LYS A 27 -6.204 -9.299 1.799 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.026 -8.881 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.482 -10.700 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.232 -10.756 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.960 -11.333 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.347 -11.447 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.045 -13.201 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.653 -13.089 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.415 -13.755 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.814 -13.875 0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.453 -16.032 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.455 -15.607 1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.037 -15.491 -0.542 1.00 0.00 H new ATOM 477 N GLY A 28 -9.999 -7.963 0.895 1.00 0.00 N ATOM 478 CA GLY A 28 -10.925 -7.078 1.574 1.00 0.00 C ATOM 479 C GLY A 28 -12.080 -6.654 0.689 1.00 0.00 C ATOM 480 O GLY A 28 -12.355 -7.290 -0.329 1.00 0.00 O ATOM 0 H GLY A 28 -10.361 -8.392 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.316 -7.578 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.390 -6.192 1.917 1.00 0.00 H new ATOM 484 N ASN A 29 -12.755 -5.576 1.077 1.00 0.00 N ATOM 485 CA ASN A 29 -13.884 -5.060 0.311 1.00 0.00 C ATOM 486 C ASN A 29 -14.310 -3.687 0.837 1.00 0.00 C ATOM 487 O ASN A 29 -14.682 -3.555 2.002 1.00 0.00 O ATOM 488 CB ASN A 29 -15.062 -6.035 0.379 1.00 0.00 C ATOM 489 CG ASN A 29 -16.165 -5.678 -0.599 1.00 0.00 C ATOM 490 OD1 ASN A 29 -15.916 -5.074 -1.642 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.394 -6.058 -0.270 1.00 0.00 N ATOM 0 H ASN A 29 -12.539 -5.042 1.919 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.572 -4.953 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.707 -7.044 0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.466 -6.042 1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.175 -5.851 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.557 -6.557 0.605 1.00 0.00 H new ATOM 547 N TYR A 34 -13.532 -1.557 5.577 1.00 0.00 N ATOM 548 CA TYR A 34 -12.664 -0.402 5.372 1.00 0.00 C ATOM 549 C TYR A 34 -11.746 -0.614 4.168 1.00 0.00 C ATOM 550 O TYR A 34 -11.935 -1.546 3.385 1.00 0.00 O ATOM 551 CB TYR A 34 -11.817 -0.147 6.627 1.00 0.00 C ATOM 552 CG TYR A 34 -12.620 0.112 7.890 1.00 0.00 C ATOM 553 CD1 TYR A 34 -13.563 -0.804 8.344 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.429 1.274 8.632 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.292 -0.569 9.494 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.156 1.514 9.783 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.085 0.590 10.209 1.00 0.00 C ATOM 558 OH TYR A 34 -14.810 0.826 11.355 1.00 0.00 O ATOM 0 HA TYR A 34 -13.296 0.465 5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.170 -1.008 6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.167 0.709 6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.728 -1.715 7.788 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.701 2.000 8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.021 -1.291 9.831 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.996 2.422 10.346 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.543 1.687 11.740 1.00 0.00 H new ATOM 568 N MET A 35 -10.753 0.260 4.033 1.00 0.00 N ATOM 569 CA MET A 35 -9.794 0.188 2.950 1.00 0.00 C ATOM 570 C MET A 35 -8.442 -0.257 3.473 1.00 0.00 C ATOM 571 O MET A 35 -8.097 -0.002 4.624 1.00 0.00 O ATOM 572 CB MET A 35 -9.635 1.558 2.292 1.00 0.00 C ATOM 573 CG MET A 35 -8.327 1.709 1.537 1.00 0.00 C ATOM 574 SD MET A 35 -8.068 3.376 0.900 1.00 0.00 S ATOM 575 CE MET A 35 -9.252 3.420 -0.443 1.00 0.00 C ATOM 0 H MET A 35 -10.596 1.037 4.675 1.00 0.00 H new ATOM 0 HA MET A 35 -10.162 -0.532 2.219 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.465 1.723 1.605 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.697 2.331 3.058 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.501 1.446 2.197 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.309 1.002 0.707 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.645 4.431 -0.549 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.762 3.122 -1.370 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.071 2.733 -0.229 1.00 0.00 H new ATOM 585 N TRP A 36 -7.677 -0.901 2.614 1.00 0.00 N ATOM 586 CA TRP A 36 -6.349 -1.350 2.975 1.00 0.00 C ATOM 587 C TRP A 36 -5.310 -0.523 2.233 1.00 0.00 C ATOM 588 O TRP A 36 -4.834 -0.912 1.167 1.00 0.00 O ATOM 589 CB TRP A 36 -6.173 -2.825 2.651 1.00 0.00 C ATOM 590 CG TRP A 36 -6.320 -3.716 3.843 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.207 -4.741 4.002 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.558 -3.652 5.050 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.042 -5.319 5.237 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.035 -4.667 5.899 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.519 -2.833 5.492 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.506 -4.884 7.168 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.994 -3.048 6.749 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.487 -4.066 7.575 1.00 0.00 C ATOM 0 H TRP A 36 -7.954 -1.125 1.658 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.215 -1.219 4.049 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.906 -3.114 1.898 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.187 -2.978 2.212 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.932 -5.052 3.265 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.581 -6.105 5.602 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.133 -2.045 4.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.885 -5.668 7.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.189 -2.421 7.102 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.054 -4.209 8.554 1.00 0.00 H new ATOM 609 N THR A 37 -4.970 0.626 2.802 1.00 0.00 N ATOM 610 CA THR A 37 -4.003 1.524 2.185 1.00 0.00 C ATOM 611 C THR A 37 -2.970 1.988 3.213 1.00 0.00 C ATOM 612 O THR A 37 -2.889 1.426 4.305 1.00 0.00 O ATOM 613 CB THR A 37 -4.709 2.747 1.573 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.792 3.497 0.768 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.274 3.635 2.666 1.00 0.00 C ATOM 0 H THR A 37 -5.349 0.958 3.689 1.00 0.00 H new ATOM 0 HA THR A 37 -3.495 0.976 1.391 1.00 0.00 H new ATOM 0 HB THR A 37 -5.528 2.393 0.947 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.253 4.271 0.383 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.770 4.495 2.216 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.994 3.070 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.465 3.979 3.310 1.00 0.00 H new ATOM 623 N ARG A 38 -2.185 3.011 2.875 1.00 0.00 N ATOM 624 CA ARG A 38 -1.174 3.522 3.793 1.00 0.00 C ATOM 625 C ARG A 38 -1.734 4.672 4.622 1.00 0.00 C ATOM 626 O ARG A 38 -2.199 5.674 4.077 1.00 0.00 O ATOM 627 CB ARG A 38 0.071 3.986 3.028 1.00 0.00 C ATOM 628 CG ARG A 38 1.113 2.912 2.817 1.00 0.00 C ATOM 629 CD ARG A 38 2.217 3.397 1.889 1.00 0.00 C ATOM 630 NE ARG A 38 2.592 4.790 2.114 1.00 0.00 N ATOM 631 CZ ARG A 38 3.773 5.158 2.607 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.639 4.242 3.015 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.085 6.443 2.701 1.00 0.00 N ATOM 0 H ARG A 38 -2.231 3.497 1.979 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.889 2.711 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.238 4.371 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.527 4.815 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.541 2.622 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.644 2.023 2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.096 2.766 2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.891 3.278 0.856 1.00 0.00 H new ATOM 0 HE ARG A 38 1.916 5.517 1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.402 3.252 2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.543 4.527 3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.420 7.153 2.395 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.990 6.722 3.079 1.00 0.00 H new ATOM 647 N VAL A 39 -1.690 4.516 5.942 1.00 0.00 N ATOM 648 CA VAL A 39 -2.193 5.538 6.854 1.00 0.00 C ATOM 649 C VAL A 39 -1.569 6.898 6.556 1.00 0.00 C ATOM 650 O VAL A 39 -0.372 6.995 6.289 1.00 0.00 O ATOM 651 CB VAL A 39 -1.918 5.157 8.322 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.467 4.741 8.494 1.00 0.00 C ATOM 653 CG2 VAL A 39 -2.274 6.302 9.259 1.00 0.00 C ATOM 0 H VAL A 39 -1.310 3.690 6.404 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.270 5.603 6.701 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.552 4.309 8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.286 4.474 9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.257 3.881 7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.184 5.568 8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.070 6.007 10.288 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.675 7.177 9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.332 6.543 9.153 1.00 0.00 H new ATOM 663 N GLY A 40 -2.388 7.945 6.610 1.00 0.00 N ATOM 664 CA GLY A 40 -1.901 9.283 6.330 1.00 0.00 C ATOM 665 C GLY A 40 -1.851 9.562 4.842 1.00 0.00 C ATOM 666 O GLY A 40 -1.544 10.675 4.416 1.00 0.00 O ATOM 0 H GLY A 40 -3.380 7.890 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.547 10.014 6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.905 9.404 6.757 1.00 0.00 H new ATOM 670 N PHE A 41 -2.158 8.537 4.054 1.00 0.00 N ATOM 671 CA PHE A 41 -2.157 8.645 2.602 1.00 0.00 C ATOM 672 C PHE A 41 -3.450 8.085 2.038 1.00 0.00 C ATOM 673 O PHE A 41 -3.640 8.014 0.824 1.00 0.00 O ATOM 674 CB PHE A 41 -0.960 7.891 2.031 1.00 0.00 C ATOM 675 CG PHE A 41 0.325 8.281 2.693 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.930 9.491 2.403 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.911 7.446 3.622 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.106 9.859 3.029 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.083 7.807 4.257 1.00 0.00 C ATOM 680 CZ PHE A 41 2.683 9.015 3.958 1.00 0.00 C ATOM 0 H PHE A 41 -2.413 7.613 4.403 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.081 9.695 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.117 6.819 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.888 8.085 0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.479 10.155 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.448 6.499 3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.573 10.804 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.529 7.147 4.986 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.602 9.299 4.450 1.00 0.00 H new ATOM 690 N VAL A 42 -4.330 7.681 2.942 1.00 0.00 N ATOM 691 CA VAL A 42 -5.623 7.124 2.573 1.00 0.00 C ATOM 692 C VAL A 42 -6.364 8.047 1.611 1.00 0.00 C ATOM 693 O VAL A 42 -6.665 9.193 1.941 1.00 0.00 O ATOM 694 CB VAL A 42 -6.492 6.880 3.819 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.740 6.091 3.454 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.679 6.174 4.894 1.00 0.00 C ATOM 0 H VAL A 42 -4.169 7.730 3.948 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.437 6.172 2.076 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.817 7.841 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.342 5.928 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.322 6.650 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.451 5.129 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.304 6.006 5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.325 5.216 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.825 6.793 5.170 1.00 0.00 H new ATOM 706 N GLY A 43 -6.654 7.533 0.419 1.00 0.00 N ATOM 707 CA GLY A 43 -7.346 8.320 -0.583 1.00 0.00 C ATOM 708 C GLY A 43 -6.453 8.651 -1.761 1.00 0.00 C ATOM 709 O GLY A 43 -6.934 8.924 -2.860 1.00 0.00 O ATOM 0 H GLY A 43 -6.421 6.583 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.221 7.772 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.708 9.244 -0.132 1.00 0.00 H new ATOM 763 N LEU A 47 0.778 6.692 -2.246 1.00 0.00 N ATOM 764 CA LEU A 47 0.940 6.647 -0.795 1.00 0.00 C ATOM 765 C LEU A 47 2.398 6.911 -0.412 1.00 0.00 C ATOM 766 O LEU A 47 2.679 7.638 0.540 1.00 0.00 O ATOM 767 CB LEU A 47 0.480 5.302 -0.234 1.00 0.00 C ATOM 768 CG LEU A 47 -0.770 4.704 -0.886 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.987 3.274 -0.411 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.994 5.559 -0.592 1.00 0.00 C ATOM 0 HA LEU A 47 0.316 7.428 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.297 4.588 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.290 5.420 0.833 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.619 4.689 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.880 2.865 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.123 2.666 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.114 3.266 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.870 5.115 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.151 5.612 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.839 6.564 -0.986 1.00 0.00 H new ATOM 782 N SER A 48 3.312 6.298 -1.162 1.00 0.00 N ATOM 783 CA SER A 48 4.753 6.458 -0.950 1.00 0.00 C ATOM 784 C SER A 48 5.159 7.928 -0.835 1.00 0.00 C ATOM 785 O SER A 48 4.327 8.828 -0.951 1.00 0.00 O ATOM 786 CB SER A 48 5.511 5.819 -2.113 1.00 0.00 C ATOM 787 OG SER A 48 6.911 5.924 -1.933 1.00 0.00 O ATOM 0 H SER A 48 3.076 5.676 -1.935 1.00 0.00 H new ATOM 0 HA SER A 48 5.004 5.967 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.231 4.769 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.225 6.303 -3.047 1.00 0.00 H new ATOM 0 HG SER A 48 7.143 5.667 -1.016 1.00 0.00 H new ATOM 793 N ASP A 49 6.456 8.162 -0.623 1.00 0.00 N ATOM 794 CA ASP A 49 6.980 9.519 -0.493 1.00 0.00 C ATOM 795 C ASP A 49 8.440 9.593 -0.924 1.00 0.00 C ATOM 796 O ASP A 49 8.743 9.856 -2.087 1.00 0.00 O ATOM 797 CB ASP A 49 6.848 10.011 0.949 1.00 0.00 C ATOM 798 CG ASP A 49 5.406 10.230 1.359 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.754 9.249 1.771 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.929 11.380 1.266 1.00 0.00 O ATOM 0 H ASP A 49 7.160 7.429 -0.538 1.00 0.00 H new ATOM 0 HA ASP A 49 6.391 10.161 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.307 9.285 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.400 10.944 1.063 1.00 0.00 H new ATOM 805 N GLU A 50 9.341 9.358 0.026 1.00 0.00 N ATOM 806 CA GLU A 50 10.770 9.416 -0.241 1.00 0.00 C ATOM 807 C GLU A 50 11.505 8.242 0.402 1.00 0.00 C ATOM 808 O GLU A 50 12.517 7.772 -0.118 1.00 0.00 O ATOM 809 CB GLU A 50 11.323 10.732 0.295 1.00 0.00 C ATOM 810 CG GLU A 50 11.296 10.829 1.812 1.00 0.00 C ATOM 811 CD GLU A 50 11.887 12.127 2.325 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.132 13.115 2.449 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.104 12.158 2.602 1.00 0.00 O ATOM 0 H GLU A 50 9.103 9.125 0.990 1.00 0.00 H new ATOM 0 HA GLU A 50 10.926 9.355 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.350 10.853 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.746 11.557 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.267 10.741 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.849 9.990 2.236 1.00 0.00 H new ATOM 820 N ILE A 51 10.991 7.779 1.534 1.00 0.00 N ATOM 821 CA ILE A 51 11.597 6.669 2.260 1.00 0.00 C ATOM 822 C ILE A 51 11.361 5.346 1.550 1.00 0.00 C ATOM 823 O ILE A 51 12.279 4.760 0.981 1.00 0.00 O ATOM 824 CB ILE A 51 11.026 6.571 3.683 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.032 7.946 4.348 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.813 5.565 4.509 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.420 8.481 4.633 1.00 0.00 C ATOM 0 H ILE A 51 10.151 8.157 1.972 1.00 0.00 H new ATOM 0 HA ILE A 51 12.668 6.866 2.304 1.00 0.00 H new ATOM 0 HB ILE A 51 9.995 6.222 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.505 8.652 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.475 7.889 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.393 5.511 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.756 4.584 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.855 5.879 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.343 9.460 5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.944 7.797 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.974 8.571 3.699 1.00 0.00 H new ATOM 839 N LEU A 52 10.127 4.868 1.616 1.00 0.00 N ATOM 840 CA LEU A 52 9.756 3.613 0.971 1.00 0.00 C ATOM 841 C LEU A 52 8.943 3.855 -0.292 1.00 0.00 C ATOM 842 O LEU A 52 7.833 4.376 -0.223 1.00 0.00 O ATOM 843 CB LEU A 52 8.940 2.747 1.931 1.00 0.00 C ATOM 844 CG LEU A 52 9.754 1.795 2.799 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.897 1.230 3.918 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.338 0.673 1.958 1.00 0.00 C ATOM 0 H LEU A 52 9.363 5.330 2.110 1.00 0.00 H new ATOM 0 HA LEU A 52 10.678 3.100 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.361 3.402 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.226 2.163 1.350 1.00 0.00 H new ATOM 0 HG LEU A 52 10.577 2.355 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.495 0.552 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.526 2.045 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.054 0.686 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.916 0.004 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.530 0.115 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.988 1.094 1.190 1.00 0.00 H new ATOM 858 N GLU A 53 9.508 3.494 -1.445 1.00 0.00 N ATOM 859 CA GLU A 53 8.807 3.633 -2.715 1.00 0.00 C ATOM 860 C GLU A 53 7.626 2.675 -2.755 1.00 0.00 C ATOM 861 O GLU A 53 7.648 1.669 -3.464 1.00 0.00 O ATOM 862 CB GLU A 53 9.752 3.343 -3.880 1.00 0.00 C ATOM 863 CG GLU A 53 10.163 4.581 -4.647 1.00 0.00 C ATOM 864 CD GLU A 53 9.377 4.763 -5.930 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.307 5.407 -5.886 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.831 4.261 -6.980 1.00 0.00 O ATOM 0 H GLU A 53 10.447 3.104 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 53 8.445 4.657 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.645 2.849 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.269 2.645 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.025 5.458 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.226 4.521 -4.882 1.00 0.00 H new ATOM 873 N VAL A 54 6.599 2.992 -1.980 1.00 0.00 N ATOM 874 CA VAL A 54 5.419 2.153 -1.900 1.00 0.00 C ATOM 875 C VAL A 54 4.522 2.303 -3.114 1.00 0.00 C ATOM 876 O VAL A 54 3.568 3.080 -3.099 1.00 0.00 O ATOM 877 CB VAL A 54 4.585 2.458 -0.647 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.544 1.372 -0.446 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.472 2.604 0.577 1.00 0.00 C ATOM 0 H VAL A 54 6.562 3.828 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 54 5.793 1.130 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 54 4.072 3.409 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.955 1.593 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.887 1.332 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.041 0.410 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.855 2.820 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.021 1.677 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.177 3.420 0.420 1.00 0.00 H new ATOM 889 N VAL A 55 4.831 1.569 -4.168 1.00 0.00 N ATOM 890 CA VAL A 55 4.014 1.599 -5.362 1.00 0.00 C ATOM 891 C VAL A 55 2.803 0.709 -5.152 1.00 0.00 C ATOM 892 O VAL A 55 2.780 -0.452 -5.565 1.00 0.00 O ATOM 893 CB VAL A 55 4.779 1.128 -6.601 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.944 1.363 -7.848 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.125 1.830 -6.700 1.00 0.00 C ATOM 0 H VAL A 55 5.639 0.948 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 55 3.713 2.632 -5.536 1.00 0.00 H new ATOM 0 HB VAL A 55 4.970 0.058 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.496 1.025 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.010 0.807 -7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.726 2.427 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.653 1.481 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.970 2.907 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.718 1.606 -5.813 1.00 0.00 H new ATOM 905 N CYS A 56 1.808 1.264 -4.486 1.00 0.00 N ATOM 906 CA CYS A 56 0.589 0.535 -4.172 1.00 0.00 C ATOM 907 C CYS A 56 -0.489 0.787 -5.213 1.00 0.00 C ATOM 908 O CYS A 56 -0.580 1.875 -5.784 1.00 0.00 O ATOM 909 CB CYS A 56 0.075 0.933 -2.789 1.00 0.00 C ATOM 910 SG CYS A 56 -1.526 0.213 -2.359 1.00 0.00 S ATOM 0 H CYS A 56 1.819 2.226 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 56 0.827 -0.529 -4.177 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.809 0.633 -2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.003 2.019 -2.741 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.499 -1.068 -2.580 1.00 0.00 H new ATOM 916 N LYS A 57 -1.303 -0.230 -5.454 1.00 0.00 N ATOM 917 CA LYS A 57 -2.384 -0.131 -6.416 1.00 0.00 C ATOM 918 C LYS A 57 -3.635 -0.809 -5.878 1.00 0.00 C ATOM 919 O LYS A 57 -3.670 -2.029 -5.694 1.00 0.00 O ATOM 920 CB LYS A 57 -1.987 -0.767 -7.745 1.00 0.00 C ATOM 921 CG LYS A 57 -0.583 -0.405 -8.201 1.00 0.00 C ATOM 922 CD LYS A 57 -0.232 -1.079 -9.518 1.00 0.00 C ATOM 923 CE LYS A 57 1.184 -0.744 -9.956 1.00 0.00 C ATOM 924 NZ LYS A 57 2.195 -1.190 -8.958 1.00 0.00 N ATOM 0 H LYS A 57 -1.232 -1.137 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.592 0.926 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.062 -1.851 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.699 -0.460 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.503 0.676 -8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.136 -0.701 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.336 -2.159 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.936 -0.764 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.388 -1.218 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.272 0.332 -10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.141 -0.883 -9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.976 -0.772 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.175 -2.227 -8.883 1.00 0.00 H new ATOM 938 N TYR A 58 -4.651 -0.005 -5.616 1.00 0.00 N ATOM 939 CA TYR A 58 -5.915 -0.511 -5.110 1.00 0.00 C ATOM 940 C TYR A 58 -6.779 -0.967 -6.280 1.00 0.00 C ATOM 941 O TYR A 58 -7.340 -0.147 -7.007 1.00 0.00 O ATOM 942 CB TYR A 58 -6.631 0.575 -4.289 1.00 0.00 C ATOM 943 CG TYR A 58 -7.838 0.094 -3.512 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.767 -0.777 -4.079 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.058 0.527 -2.208 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.870 -1.204 -3.374 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.167 0.106 -1.499 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.068 -0.760 -2.085 1.00 0.00 C ATOM 949 OH TYR A 58 -11.171 -1.178 -1.379 1.00 0.00 O ATOM 0 H TYR A 58 -4.624 1.006 -5.746 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.732 -1.362 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.917 1.011 -3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.945 1.372 -4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.619 -1.124 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.353 1.201 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.576 -1.883 -3.829 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.328 0.454 -0.489 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.161 -0.774 -0.486 1.00 0.00 H new ATOM 959 N THR A 59 -6.878 -2.281 -6.457 1.00 0.00 N ATOM 960 CA THR A 59 -7.662 -2.848 -7.547 1.00 0.00 C ATOM 961 C THR A 59 -9.013 -3.360 -7.060 1.00 0.00 C ATOM 962 O THR A 59 -9.085 -4.361 -6.349 1.00 0.00 O ATOM 963 CB THR A 59 -6.912 -4.008 -8.228 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.605 -3.578 -8.626 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.677 -4.511 -9.444 1.00 0.00 C ATOM 0 H THR A 59 -6.425 -2.972 -5.859 1.00 0.00 H new ATOM 0 HA THR A 59 -7.821 -2.044 -8.265 1.00 0.00 H new ATOM 0 HB THR A 59 -6.825 -4.825 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.133 -4.321 -9.057 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.126 -5.330 -9.907 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.661 -4.864 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.792 -3.699 -10.162 1.00 0.00 H new ATOM 973 N PRO A 60 -10.104 -2.672 -7.435 1.00 0.00 N ATOM 974 CA PRO A 60 -11.454 -3.046 -7.062 1.00 0.00 C ATOM 975 C PRO A 60 -12.161 -3.796 -8.186 1.00 0.00 C ATOM 976 O PRO A 60 -12.652 -3.186 -9.136 1.00 0.00 O ATOM 977 CB PRO A 60 -12.087 -1.677 -6.843 1.00 0.00 C ATOM 978 CG PRO A 60 -11.429 -0.793 -7.859 1.00 0.00 C ATOM 979 CD PRO A 60 -10.122 -1.446 -8.241 1.00 0.00 C ATOM 0 HA PRO A 60 -11.507 -3.716 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.167 -1.711 -6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.912 -1.316 -5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.068 -0.671 -8.734 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.256 0.202 -7.449 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.080 -1.666 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.271 -0.804 -8.014 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.534 -6.376 -4.479 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.502 -6.501 -3.464 1.00 0.00 C ATOM 1137 C ILE A 73 -6.680 -5.226 -3.359 1.00 0.00 C ATOM 1138 O ILE A 73 -7.046 -4.186 -3.906 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.540 -7.671 -3.741 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.913 -7.557 -5.125 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.233 -9.010 -3.570 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.546 -8.198 -5.197 1.00 0.00 C ATOM 0 HA ILE A 73 -8.028 -6.691 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.739 -7.614 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.570 -8.027 -5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.832 -6.505 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.526 -9.814 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.602 -9.101 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.069 -9.078 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.145 -8.088 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.878 -7.712 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.627 -9.257 -4.953 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.564 -5.323 -2.648 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.670 -4.194 -2.457 1.00 0.00 C ATOM 1156 C TYR A 74 -3.223 -4.638 -2.648 1.00 0.00 C ATOM 1157 O TYR A 74 -2.597 -5.142 -1.716 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.859 -3.615 -1.053 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.278 -3.729 -0.528 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.754 -4.926 0.002 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.139 -2.643 -0.554 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.040 -5.031 0.487 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.430 -2.745 -0.067 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.874 -3.939 0.451 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.159 -4.041 0.934 1.00 0.00 O ATOM 0 H TYR A 74 -5.257 -6.182 -2.191 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.904 -3.425 -3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.185 -4.127 -0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.568 -2.565 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.104 -5.788 0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.797 -1.703 -0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.391 -5.968 0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.088 -1.889 -0.094 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.615 -3.179 0.836 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.693 -4.455 -3.856 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.325 -4.856 -4.150 1.00 0.00 C ATOM 1177 C VAL A 75 -0.354 -3.734 -3.813 1.00 0.00 C ATOM 1178 O VAL A 75 -0.340 -2.683 -4.450 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.146 -5.288 -5.623 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.466 -4.150 -6.576 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.263 -5.807 -5.859 1.00 0.00 C ATOM 0 H VAL A 75 -3.190 -4.034 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.106 -5.722 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.851 -6.095 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.330 -4.487 -7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.499 -3.834 -6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.799 -3.311 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.371 -6.107 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.983 -5.021 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.447 -6.666 -5.214 1.00 0.00 H new ATOM 1191 N VAL A 76 0.452 -3.967 -2.791 1.00 0.00 N ATOM 1192 CA VAL A 76 1.416 -2.974 -2.336 1.00 0.00 C ATOM 1193 C VAL A 76 2.857 -3.365 -2.661 1.00 0.00 C ATOM 1194 O VAL A 76 3.325 -4.429 -2.258 1.00 0.00 O ATOM 1195 CB VAL A 76 1.295 -2.762 -0.816 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.206 -1.635 -0.359 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.150 -2.485 -0.426 1.00 0.00 C ATOM 0 H VAL A 76 0.459 -4.837 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 76 1.182 -2.052 -2.869 1.00 0.00 H new ATOM 0 HB VAL A 76 1.611 -3.677 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.106 -1.501 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.240 -1.883 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.926 -0.712 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.214 -2.338 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.499 -1.587 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.773 -3.331 -0.715 1.00 0.00 H new ATOM 1207 N LEU A 77 3.554 -2.493 -3.393 1.00 0.00 N ATOM 1208 CA LEU A 77 4.953 -2.724 -3.744 1.00 0.00 C ATOM 1209 C LEU A 77 5.843 -1.775 -2.962 1.00 0.00 C ATOM 1210 O LEU A 77 6.005 -0.617 -3.335 1.00 0.00 O ATOM 1211 CB LEU A 77 5.190 -2.523 -5.241 1.00 0.00 C ATOM 1212 CG LEU A 77 4.541 -3.573 -6.144 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.805 -3.254 -7.608 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.054 -4.960 -5.797 1.00 0.00 C ATOM 0 H LEU A 77 3.170 -1.620 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 77 5.197 -3.756 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.815 -1.540 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.264 -2.520 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 77 3.464 -3.554 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.336 -4.012 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.389 -2.275 -7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.880 -3.246 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.583 -5.696 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.135 -4.993 -5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.813 -5.188 -4.759 1.00 0.00 H new ATOM 1226 N VAL A 78 6.428 -2.265 -1.884 1.00 0.00 N ATOM 1227 CA VAL A 78 7.281 -1.428 -1.055 1.00 0.00 C ATOM 1228 C VAL A 78 8.746 -1.571 -1.453 1.00 0.00 C ATOM 1229 O VAL A 78 9.383 -2.587 -1.173 1.00 0.00 O ATOM 1230 CB VAL A 78 7.111 -1.755 0.440 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.759 -0.494 1.223 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.052 -2.827 0.643 1.00 0.00 C ATOM 0 H VAL A 78 6.331 -3.228 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 78 6.972 -0.396 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 78 8.058 -2.142 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.642 -0.742 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.557 0.240 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.826 -0.078 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.950 -3.041 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.098 -2.475 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.348 -3.735 0.117 1.00 0.00 H new ATOM 1242 N LYS A 79 9.268 -0.542 -2.116 1.00 0.00 N ATOM 1243 CA LYS A 79 10.655 -0.537 -2.567 1.00 0.00 C ATOM 1244 C LYS A 79 11.505 0.430 -1.742 1.00 0.00 C ATOM 1245 O LYS A 79 11.454 1.640 -1.951 1.00 0.00 O ATOM 1246 CB LYS A 79 10.728 -0.157 -4.046 1.00 0.00 C ATOM 1247 CG LYS A 79 10.590 -1.345 -4.985 1.00 0.00 C ATOM 1248 CD LYS A 79 10.774 -0.935 -6.437 1.00 0.00 C ATOM 1249 CE LYS A 79 9.666 -0.003 -6.903 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.833 0.390 -8.330 1.00 0.00 N ATOM 0 H LYS A 79 8.747 0.302 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 79 11.053 -1.543 -2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.941 0.564 -4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.679 0.340 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.328 -2.103 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.607 -1.799 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.739 -0.442 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.791 -1.824 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.701 -0.493 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.657 0.891 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.058 1.025 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.742 0.880 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.816 -0.460 -8.929 1.00 0.00 H new ATOM 1264 N PRO A 80 12.299 -0.095 -0.793 1.00 0.00 N ATOM 1265 CA PRO A 80 13.163 0.727 0.064 1.00 0.00 C ATOM 1266 C PRO A 80 14.016 1.715 -0.729 1.00 0.00 C ATOM 1267 O PRO A 80 15.058 1.354 -1.275 1.00 0.00 O ATOM 1268 CB PRO A 80 14.049 -0.303 0.765 1.00 0.00 C ATOM 1269 CG PRO A 80 13.244 -1.555 0.776 1.00 0.00 C ATOM 1270 CD PRO A 80 12.410 -1.531 -0.475 1.00 0.00 C ATOM 0 HA PRO A 80 12.581 1.348 0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.990 -0.443 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.300 0.015 1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.890 -2.433 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.613 -1.604 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.886 -2.085 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.431 -1.982 -0.313 1.00 0.00 H new ATOM 1278 N ARG A 81 13.558 2.963 -0.792 1.00 0.00 N ATOM 1279 CA ARG A 81 14.276 4.011 -1.507 1.00 0.00 C ATOM 1280 C ARG A 81 15.592 4.346 -0.813 1.00 0.00 C ATOM 1281 O ARG A 81 16.599 4.617 -1.467 1.00 0.00 O ATOM 1282 CB ARG A 81 13.410 5.266 -1.603 1.00 0.00 C ATOM 1283 CG ARG A 81 13.024 5.633 -3.022 1.00 0.00 C ATOM 1284 CD ARG A 81 12.075 6.820 -3.045 1.00 0.00 C ATOM 1285 NE ARG A 81 11.733 7.221 -4.407 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.262 8.423 -4.727 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.082 9.340 -3.786 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.972 8.709 -5.989 1.00 0.00 N ATOM 0 H ARG A 81 12.690 3.272 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 81 14.499 3.645 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.504 5.117 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.946 6.102 -1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.920 5.870 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.552 4.778 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.164 6.567 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.533 7.661 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 81 11.863 6.540 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.305 9.124 -2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.721 10.261 -4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.110 8.007 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.611 9.631 -6.233 1.00 0.00 H new ATOM 1302 N LYS A 82 15.574 4.324 0.517 1.00 0.00 N ATOM 1303 CA LYS A 82 16.763 4.632 1.303 1.00 0.00 C ATOM 1304 C LYS A 82 17.141 3.457 2.198 1.00 0.00 C ATOM 1305 O LYS A 82 16.488 2.412 2.177 1.00 0.00 O ATOM 1306 CB LYS A 82 16.523 5.880 2.158 1.00 0.00 C ATOM 1307 CG LYS A 82 15.955 7.055 1.378 1.00 0.00 C ATOM 1308 CD LYS A 82 15.807 8.287 2.255 1.00 0.00 C ATOM 1309 CE LYS A 82 15.221 9.455 1.480 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.085 9.852 0.334 1.00 0.00 N ATOM 0 H LYS A 82 14.749 4.096 1.072 1.00 0.00 H new ATOM 0 HA LYS A 82 17.586 4.822 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.839 5.628 2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.464 6.181 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.608 7.283 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.984 6.783 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.166 8.055 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.780 8.568 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.231 9.186 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.092 10.306 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.774 10.775 -0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.073 9.920 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.012 9.139 -0.419 1.00 0.00 H new ATOM 1324 N ARG A 83 18.200 3.633 2.982 1.00 0.00 N ATOM 1325 CA ARG A 83 18.665 2.590 3.888 1.00 0.00 C ATOM 1326 C ARG A 83 18.521 3.031 5.343 1.00 0.00 C ATOM 1327 O ARG A 83 19.034 4.080 5.734 1.00 0.00 O ATOM 1328 CB ARG A 83 20.123 2.250 3.591 1.00 0.00 C ATOM 1329 CG ARG A 83 20.368 1.840 2.148 1.00 0.00 C ATOM 1330 CD ARG A 83 21.852 1.787 1.830 1.00 0.00 C ATOM 1331 NE ARG A 83 22.102 1.392 0.447 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.318 1.212 -0.060 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.391 1.390 0.700 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.463 0.854 -1.328 1.00 0.00 N ATOM 0 H ARG A 83 18.753 4.490 3.008 1.00 0.00 H new ATOM 0 HA ARG A 83 18.050 1.703 3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.744 3.114 3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.441 1.441 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.920 0.863 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.876 2.546 1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.297 2.765 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.342 1.083 2.502 1.00 0.00 H new ATOM 0 HE ARG A 83 21.299 1.246 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.284 1.666 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.322 1.251 0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.641 0.716 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.396 0.716 -1.716 1.00 0.00 H new ATOM 1348 N GLY A 84 17.822 2.227 6.137 1.00 0.00 N ATOM 1349 CA GLY A 84 17.628 2.557 7.538 1.00 0.00 C ATOM 1350 C GLY A 84 16.353 1.965 8.104 1.00 0.00 C ATOM 1351 O GLY A 84 15.971 0.847 7.756 1.00 0.00 O ATOM 0 H GLY A 84 17.387 1.355 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.480 2.195 8.114 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.603 3.641 7.652 1.00 0.00 H new ATOM 1355 N HIS A 85 15.691 2.717 8.979 1.00 0.00 N ATOM 1356 CA HIS A 85 14.452 2.258 9.595 1.00 0.00 C ATOM 1357 C HIS A 85 13.249 2.612 8.728 1.00 0.00 C ATOM 1358 O HIS A 85 12.679 3.697 8.849 1.00 0.00 O ATOM 1359 CB HIS A 85 14.287 2.868 10.986 1.00 0.00 C ATOM 1360 CG HIS A 85 15.420 2.558 11.915 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.430 3.453 12.195 1.00 0.00 N ATOM 1362 CD2 HIS A 85 15.697 1.444 12.634 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.280 2.903 13.044 1.00 0.00 C ATOM 1364 NE2 HIS A 85 16.857 1.686 13.327 1.00 0.00 N ATOM 0 H HIS A 85 15.992 3.645 9.276 1.00 0.00 H new ATOM 0 HA HIS A 85 14.506 1.173 9.688 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.192 3.950 10.890 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.358 2.504 11.425 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.114 0.535 12.658 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.170 3.370 13.439 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.317 1.031 13.959 1.00 0.00 H new ATOM 1373 N HIS A 86 12.872 1.690 7.851 1.00 0.00 N ATOM 1374 CA HIS A 86 11.735 1.892 6.960 1.00 0.00 C ATOM 1375 C HIS A 86 10.594 0.955 7.334 1.00 0.00 C ATOM 1376 O HIS A 86 10.821 -0.107 7.913 1.00 0.00 O ATOM 1377 CB HIS A 86 12.144 1.651 5.506 1.00 0.00 C ATOM 1378 CG HIS A 86 13.247 2.544 5.029 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.003 3.330 5.873 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.719 2.775 3.781 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.890 4.007 5.165 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.738 3.688 3.893 1.00 0.00 N ATOM 0 H HIS A 86 13.339 0.791 7.737 1.00 0.00 H new ATOM 0 HA HIS A 86 11.398 2.923 7.067 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.457 0.613 5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.273 1.792 4.866 1.00 0.00 H new ATOM 0 HD1 HIS A 86 13.894 3.381 6.886 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.360 2.325 2.867 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.616 4.703 5.560 1.00 0.00 H new ATOM 1391 N THR A 87 9.367 1.346 7.002 1.00 0.00 N ATOM 1392 CA THR A 87 8.204 0.526 7.314 1.00 0.00 C ATOM 1393 C THR A 87 7.013 0.866 6.426 1.00 0.00 C ATOM 1394 O THR A 87 6.817 2.019 6.041 1.00 0.00 O ATOM 1395 CB THR A 87 7.783 0.690 8.785 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.882 0.376 9.647 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.603 -0.212 9.107 1.00 0.00 C ATOM 0 H THR A 87 9.154 2.220 6.520 1.00 0.00 H new ATOM 0 HA THR A 87 8.501 -0.506 7.130 1.00 0.00 H new ATOM 0 HB THR A 87 7.485 1.726 8.945 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.543 0.139 10.536 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.320 -0.082 10.152 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.760 0.049 8.467 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.882 -1.251 8.933 1.00 0.00 H new ATOM 1405 N LEU A 88 6.220 -0.153 6.110 1.00 0.00 N ATOM 1406 CA LEU A 88 5.038 0.020 5.278 1.00 0.00 C ATOM 1407 C LEU A 88 3.801 0.166 6.152 1.00 0.00 C ATOM 1408 O LEU A 88 3.177 -0.824 6.536 1.00 0.00 O ATOM 1409 CB LEU A 88 4.870 -1.171 4.338 1.00 0.00 C ATOM 1410 CG LEU A 88 3.548 -1.211 3.571 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.478 -0.073 2.566 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.377 -2.554 2.877 1.00 0.00 C ATOM 0 H LEU A 88 6.377 -1.112 6.420 1.00 0.00 H new ATOM 0 HA LEU A 88 5.163 0.924 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.689 -1.165 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.963 -2.089 4.919 1.00 0.00 H new ATOM 0 HG LEU A 88 2.732 -1.086 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.530 -0.119 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.553 0.880 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.300 -0.163 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.431 -2.566 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.198 -2.709 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.379 -3.351 3.621 1.00 0.00 H new ATOM 1424 N GLU A 89 3.460 1.405 6.470 1.00 0.00 N ATOM 1425 CA GLU A 89 2.308 1.688 7.306 1.00 0.00 C ATOM 1426 C GLU A 89 0.996 1.458 6.572 1.00 0.00 C ATOM 1427 O GLU A 89 0.505 2.342 5.876 1.00 0.00 O ATOM 1428 CB GLU A 89 2.375 3.126 7.805 1.00 0.00 C ATOM 1429 CG GLU A 89 3.536 3.375 8.742 1.00 0.00 C ATOM 1430 CD GLU A 89 3.652 4.828 9.159 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.042 5.202 10.184 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.352 5.592 8.463 1.00 0.00 O ATOM 0 H GLU A 89 3.968 2.233 6.159 1.00 0.00 H new ATOM 0 HA GLU A 89 2.337 0.998 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.455 3.798 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.444 3.371 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.419 2.755 9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.462 3.066 8.257 1.00 0.00 H new ATOM 1439 N LEU A 90 0.437 0.264 6.730 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.837 -0.071 6.103 1.00 0.00 C ATOM 1441 C LEU A 90 -1.916 -0.226 7.164 1.00 0.00 C ATOM 1442 O LEU A 90 -1.750 -0.974 8.129 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.734 -1.352 5.271 1.00 0.00 C ATOM 1444 CG LEU A 90 0.013 -1.214 3.943 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.018 -2.541 3.201 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.609 -0.123 3.083 1.00 0.00 C ATOM 0 H LEU A 90 0.845 -0.488 7.286 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.103 0.745 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.237 -2.115 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.742 -1.714 5.066 1.00 0.00 H new ATOM 0 HG LEU A 90 1.044 -0.930 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.553 -2.428 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.513 -3.297 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.008 -2.850 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.061 -0.043 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.650 -0.372 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.562 0.829 3.612 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.019 0.485 6.980 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.118 0.440 7.930 1.00 0.00 C ATOM 1460 C VAL A 91 -5.451 0.160 7.233 1.00 0.00 C ATOM 1461 O VAL A 91 -5.597 0.381 6.023 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.224 1.774 8.694 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.516 2.914 7.727 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.279 1.699 9.790 1.00 0.00 C ATOM 0 H VAL A 91 -3.175 1.100 6.181 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.909 -0.371 8.627 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.266 1.969 9.177 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.588 3.851 8.280 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.711 2.986 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.458 2.723 7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.331 2.655 10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.249 1.475 9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.013 0.914 10.498 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.413 -0.333 8.011 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.748 -0.634 7.506 1.00 0.00 C ATOM 1476 C TYR A 92 -8.696 0.513 7.859 1.00 0.00 C ATOM 1477 O TYR A 92 -9.414 0.451 8.856 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.246 -1.950 8.112 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.333 -2.636 7.314 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.226 -2.783 5.937 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.464 -3.143 7.942 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.216 -3.416 5.208 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.457 -3.778 7.220 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.328 -3.911 5.854 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.315 -4.542 5.131 1.00 0.00 O ATOM 0 H TYR A 92 -6.289 -0.534 9.003 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.715 -0.743 6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.401 -2.632 8.213 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.619 -1.754 9.117 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.356 -2.397 5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.569 -3.039 9.012 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.118 -3.522 4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.329 -4.168 7.723 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.064 -3.925 4.992 1.00 0.00 H new ATOM 1495 N THR A 93 -8.692 1.559 7.034 1.00 0.00 N ATOM 1496 CA THR A 93 -9.519 2.740 7.286 1.00 0.00 C ATOM 1497 C THR A 93 -10.557 2.987 6.197 1.00 0.00 C ATOM 1498 O THR A 93 -10.338 2.664 5.037 1.00 0.00 O ATOM 1499 CB THR A 93 -8.649 3.996 7.379 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.467 5.138 7.651 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.893 4.211 6.078 1.00 0.00 C ATOM 0 H THR A 93 -8.127 1.614 6.187 1.00 0.00 H new ATOM 0 HA THR A 93 -10.034 2.540 8.226 1.00 0.00 H new ATOM 0 HB THR A 93 -7.932 3.863 8.189 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.254 4.862 8.165 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.278 5.108 6.158 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.254 3.350 5.882 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.603 4.330 5.260 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.677 3.596 6.583 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.739 3.920 5.636 1.00 0.00 C ATOM 1511 C ARG A 94 -12.538 5.328 5.072 1.00 0.00 C ATOM 1512 O ARG A 94 -12.790 6.315 5.764 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.113 3.824 6.304 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.728 2.437 6.236 1.00 0.00 C ATOM 1515 CD ARG A 94 -16.116 2.416 6.853 1.00 0.00 C ATOM 1516 NE ARG A 94 -17.029 3.336 6.179 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.332 3.403 6.436 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.872 2.609 7.350 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.095 4.267 5.780 1.00 0.00 N ATOM 0 H ARG A 94 -11.871 3.874 7.545 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.695 3.197 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.021 4.120 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.789 4.535 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.785 2.113 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.086 1.727 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.519 1.404 6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.048 2.681 7.908 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.645 3.962 5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.288 1.945 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.872 2.662 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.682 4.881 5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.094 4.318 5.978 1.00 0.00 H new ATOM 1533 N PRO A 95 -12.067 5.436 3.814 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.827 6.723 3.159 1.00 0.00 C ATOM 1535 C PRO A 95 -12.904 7.761 3.462 1.00 0.00 C ATOM 1536 O PRO A 95 -12.625 8.959 3.522 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.849 6.361 1.677 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.369 4.949 1.617 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.721 4.304 2.933 1.00 0.00 C ATOM 0 HA PRO A 95 -10.899 7.181 3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.853 6.455 1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.203 7.022 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.839 4.417 0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.293 4.915 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.557 3.613 2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.884 3.731 3.332 1.00 0.00 H new ATOM 1547 N PHE A 96 -14.133 7.296 3.654 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.251 8.186 3.944 1.00 0.00 C ATOM 1549 C PHE A 96 -15.223 8.658 5.399 1.00 0.00 C ATOM 1550 O PHE A 96 -15.139 9.857 5.668 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.580 7.484 3.635 1.00 0.00 C ATOM 1552 CG PHE A 96 -17.753 8.046 4.387 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -18.449 9.144 3.910 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -18.150 7.473 5.581 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -19.522 9.659 4.615 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -19.218 7.980 6.291 1.00 0.00 C ATOM 1557 CZ PHE A 96 -19.907 9.076 5.808 1.00 0.00 C ATOM 0 H PHE A 96 -14.381 6.307 3.614 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.157 9.065 3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.778 7.556 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.484 6.424 3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -18.151 9.603 2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.616 6.616 5.963 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -20.058 10.515 4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -19.515 7.521 7.223 1.00 0.00 H new ATOM 0 HZ PHE A 96 -20.744 9.476 6.361 1.00 0.00 H new ATOM 1567 N GLU A 97 -15.294 7.714 6.335 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.290 8.046 7.757 1.00 0.00 C ATOM 1569 C GLU A 97 -13.940 8.608 8.191 1.00 0.00 C ATOM 1570 O GLU A 97 -13.837 9.768 8.590 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.628 6.814 8.604 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.041 6.294 8.406 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.445 5.285 9.462 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -17.196 4.078 9.256 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.011 5.701 10.495 1.00 0.00 O ATOM 0 H GLU A 97 -15.355 6.716 6.135 1.00 0.00 H new ATOM 0 HA GLU A 97 -16.052 8.809 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.923 6.018 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.487 7.060 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.738 7.132 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.120 5.834 7.421 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.907 7.775 8.111 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.577 8.194 8.511 1.00 0.00 C ATOM 1584 C GLY A 98 -10.815 7.077 9.181 1.00 0.00 C ATOM 1585 O GLY A 98 -11.327 5.969 9.331 1.00 0.00 O ATOM 0 H GLY A 98 -12.968 6.814 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.025 8.536 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.652 9.042 9.192 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.591 7.371 9.584 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.750 6.379 10.226 1.00 0.00 C ATOM 1591 C ILE A 99 -8.865 6.448 11.741 1.00 0.00 C ATOM 1592 O ILE A 99 -9.072 7.520 12.312 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.283 6.558 9.822 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.184 6.992 8.357 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.526 5.259 10.052 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.892 7.705 8.028 1.00 0.00 C ATOM 0 H ILE A 99 -9.159 8.289 9.478 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.099 5.402 9.891 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.835 7.338 10.437 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.278 6.114 7.718 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.022 7.648 8.123 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.483 5.390 9.764 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.580 4.988 11.106 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.972 4.467 9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.889 7.984 6.974 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.805 8.602 8.641 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.050 7.044 8.231 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.723 5.296 12.386 1.00 0.00 N ATOM 1609 CA LYS A 100 -8.823 5.210 13.835 1.00 0.00 C ATOM 1610 C LYS A 100 -7.912 4.116 14.385 1.00 0.00 C ATOM 1611 O LYS A 100 -7.463 3.239 13.649 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.274 4.938 14.233 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.209 6.099 13.929 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.671 5.685 14.005 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.124 4.998 12.726 1.00 0.00 C ATOM 1616 NZ LYS A 100 -12.904 5.855 11.529 1.00 0.00 N ATOM 0 H LYS A 100 -8.537 4.406 11.924 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.501 6.160 14.262 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.627 4.050 13.709 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.316 4.717 15.299 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.024 6.909 14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.993 6.488 12.934 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.816 5.013 14.851 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.290 6.564 14.186 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.582 4.060 12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.182 4.747 12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.729 5.789 10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.775 6.843 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.055 5.533 11.023 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.632 4.162 15.698 1.00 0.00 N ATOM 1631 CA PRO A 101 -6.774 3.176 16.362 1.00 0.00 C ATOM 1632 C PRO A 101 -7.417 1.796 16.404 1.00 0.00 C ATOM 1633 O PRO A 101 -6.739 0.778 16.266 1.00 0.00 O ATOM 1634 CB PRO A 101 -6.617 3.735 17.779 1.00 0.00 C ATOM 1635 CG PRO A 101 -7.813 4.600 17.982 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.140 5.176 16.636 1.00 0.00 C ATOM 0 HA PRO A 101 -5.828 3.038 15.839 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.578 2.935 18.518 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.694 4.306 17.879 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.650 4.022 18.373 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.605 5.390 18.704 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.212 5.333 16.516 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.657 6.141 16.484 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.731 1.774 16.598 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.474 0.521 16.656 1.00 0.00 C ATOM 1646 C GLU A 102 -9.369 -0.233 15.336 1.00 0.00 C ATOM 1647 O GLU A 102 -9.430 -1.463 15.305 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.938 0.791 16.989 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.572 1.803 16.064 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.022 2.085 16.404 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.904 1.379 15.872 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.276 3.011 17.202 1.00 0.00 O ATOM 0 H GLU A 102 -9.303 2.610 16.718 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.039 -0.097 17.441 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.496 -0.144 16.935 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.012 1.148 18.016 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.006 2.733 16.109 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.508 1.440 15.038 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.212 0.514 14.246 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.094 -0.083 12.919 1.00 0.00 C ATOM 1661 C ASN A 103 -7.915 -1.049 12.855 1.00 0.00 C ATOM 1662 O ASN A 103 -6.953 -0.920 13.613 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.931 1.010 11.861 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.118 1.955 11.814 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.981 3.120 11.443 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.291 1.458 12.189 1.00 0.00 N ATOM 0 H ASN A 103 -9.164 1.533 14.256 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.007 -0.643 12.718 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.025 1.580 12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.800 0.548 10.883 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.123 2.048 12.176 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.360 0.486 12.490 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.996 -2.018 11.946 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.944 -3.004 11.781 1.00 0.00 C ATOM 1675 C GLU A 104 -5.620 -2.343 11.411 1.00 0.00 C ATOM 1676 O GLU A 104 -5.586 -1.182 11.001 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.348 -4.013 10.717 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.859 -5.319 11.296 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.271 -5.207 11.835 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.223 -5.424 11.055 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.426 -4.903 13.036 1.00 0.00 O ATOM 0 H GLU A 104 -8.786 -2.137 11.312 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.803 -3.519 12.731 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.121 -3.576 10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.491 -4.218 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.829 -6.090 10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.193 -5.642 12.097 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.538 -3.098 11.550 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.203 -2.593 11.252 1.00 0.00 C ATOM 1690 C ARG A 105 -2.428 -3.579 10.382 1.00 0.00 C ATOM 1691 O ARG A 105 -2.847 -4.719 10.199 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.442 -2.357 12.568 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.048 -1.771 12.398 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.107 -0.259 12.327 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.627 0.305 13.566 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.686 1.609 13.818 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.256 2.484 12.917 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.175 2.042 14.972 1.00 0.00 N ATOM 0 H ARG A 105 -4.559 -4.067 11.869 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.300 -1.655 10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.029 -1.687 13.197 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.361 -3.305 13.100 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.416 -2.076 13.232 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.591 -2.165 11.490 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.111 0.138 12.133 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.739 0.044 11.492 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.965 -0.338 14.282 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.879 2.157 12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.303 3.484 13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.507 1.374 15.668 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.219 3.043 15.164 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.324 -3.104 9.813 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.437 -3.929 9.002 1.00 0.00 C ATOM 1714 C TYR A 106 0.794 -3.117 8.617 1.00 0.00 C ATOM 1715 O TYR A 106 0.933 -2.662 7.482 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.154 -4.468 7.762 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.332 -5.456 6.966 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.262 -6.790 7.347 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.370 -5.058 5.837 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.485 -7.699 6.623 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.119 -5.961 5.108 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.174 -7.281 5.505 1.00 0.00 C ATOM 1723 OH TYR A 106 1.919 -8.183 4.782 1.00 0.00 O ATOM 0 H TYR A 106 -1.020 -2.135 9.902 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.125 -4.793 9.588 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.083 -4.947 8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.425 -3.632 7.118 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.800 -7.122 8.223 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.330 -4.025 5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.529 -8.733 6.932 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.659 -5.635 4.231 1.00 0.00 H new ATOM 0 HH TYR A 106 1.516 -9.073 4.856 1.00 0.00 H new ATOM 1733 N THR A 107 1.676 -2.919 9.593 1.00 0.00 N ATOM 1734 CA THR A 107 2.892 -2.148 9.389 1.00 0.00 C ATOM 1735 C THR A 107 4.088 -3.055 9.121 1.00 0.00 C ATOM 1736 O THR A 107 4.735 -3.536 10.051 1.00 0.00 O ATOM 1737 CB THR A 107 3.195 -1.269 10.617 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.090 -1.309 11.527 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.459 0.171 10.208 1.00 0.00 C ATOM 0 H THR A 107 1.567 -3.286 10.538 1.00 0.00 H new ATOM 0 HA THR A 107 2.726 -1.514 8.518 1.00 0.00 H new ATOM 0 HB THR A 107 4.089 -1.661 11.102 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.424 -1.303 12.448 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.670 0.768 11.095 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.315 0.207 9.534 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.581 0.572 9.701 1.00 0.00 H new ATOM 1747 N LEU A 108 4.379 -3.288 7.845 1.00 0.00 N ATOM 1748 CA LEU A 108 5.501 -4.138 7.467 1.00 0.00 C ATOM 1749 C LEU A 108 6.825 -3.426 7.722 1.00 0.00 C ATOM 1750 O LEU A 108 7.317 -2.680 6.876 1.00 0.00 O ATOM 1751 CB LEU A 108 5.389 -4.552 5.994 1.00 0.00 C ATOM 1752 CG LEU A 108 6.665 -5.133 5.374 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.156 -6.328 6.174 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.420 -5.522 3.925 1.00 0.00 C ATOM 0 H LEU A 108 3.856 -2.902 7.059 1.00 0.00 H new ATOM 0 HA LEU A 108 5.472 -5.037 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.592 -5.290 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.087 -3.682 5.412 1.00 0.00 H new ATOM 0 HG LEU A 108 7.440 -4.367 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.062 -6.725 5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.372 -6.018 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.387 -7.100 6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.335 -5.933 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.630 -6.271 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.119 -4.641 3.358 1.00 0.00 H new ATOM 1766 N HIS A 109 7.393 -3.658 8.900 1.00 0.00 N ATOM 1767 CA HIS A 109 8.661 -3.044 9.271 1.00 0.00 C ATOM 1768 C HIS A 109 9.818 -3.721 8.548 1.00 0.00 C ATOM 1769 O HIS A 109 9.798 -4.930 8.312 1.00 0.00 O ATOM 1770 CB HIS A 109 8.856 -3.094 10.781 1.00 0.00 C ATOM 1771 CG HIS A 109 8.095 -2.037 11.517 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.665 -0.855 11.940 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.797 -1.984 11.900 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.752 -0.120 12.551 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.610 -0.782 12.539 1.00 0.00 N ATOM 0 H HIS A 109 6.995 -4.267 9.614 1.00 0.00 H new ATOM 0 HA HIS A 109 8.641 -1.998 8.966 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.548 -4.073 11.147 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.917 -2.989 11.006 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.048 -2.745 11.734 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.913 0.855 12.986 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.731 -0.454 12.939 1.00 0.00 H new ATOM 1784 N LEU A 110 10.830 -2.930 8.218 1.00 0.00 N ATOM 1785 CA LEU A 110 11.990 -3.422 7.485 1.00 0.00 C ATOM 1786 C LEU A 110 13.269 -2.714 7.919 1.00 0.00 C ATOM 1787 O LEU A 110 13.382 -1.493 7.804 1.00 0.00 O ATOM 1788 CB LEU A 110 11.789 -3.200 5.983 1.00 0.00 C ATOM 1789 CG LEU A 110 10.602 -3.937 5.355 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.466 -3.562 3.887 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.756 -5.444 5.510 1.00 0.00 C ATOM 0 H LEU A 110 10.871 -1.937 8.448 1.00 0.00 H new ATOM 0 HA LEU A 110 12.089 -4.486 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.664 -2.132 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.698 -3.505 5.465 1.00 0.00 H new ATOM 0 HG LEU A 110 9.695 -3.635 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.619 -4.093 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.305 -2.488 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.377 -3.837 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.901 -5.946 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.672 -5.769 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.806 -5.698 6.569 1.00 0.00 H new ATOM 1803 N ASN A 111 14.229 -3.484 8.417 1.00 0.00 N ATOM 1804 CA ASN A 111 15.512 -2.929 8.825 1.00 0.00 C ATOM 1805 C ASN A 111 16.423 -2.877 7.606 1.00 0.00 C ATOM 1806 O ASN A 111 17.454 -3.547 7.548 1.00 0.00 O ATOM 1807 CB ASN A 111 16.143 -3.773 9.935 1.00 0.00 C ATOM 1808 CG ASN A 111 17.431 -3.171 10.463 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.416 -2.342 11.372 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.559 -3.592 9.898 1.00 0.00 N ATOM 0 H ASN A 111 14.143 -4.492 8.547 1.00 0.00 H new ATOM 0 HA ASN A 111 15.367 -1.924 9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.433 -3.879 10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.343 -4.775 9.556 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.456 -3.226 10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.527 -4.281 9.147 1.00 0.00 H new ATOM 1817 N VAL A 112 16.006 -2.084 6.627 1.00 0.00 N ATOM 1818 CA VAL A 112 16.735 -1.939 5.374 1.00 0.00 C ATOM 1819 C VAL A 112 18.233 -1.776 5.608 1.00 0.00 C ATOM 1820 O VAL A 112 18.668 -0.868 6.316 1.00 0.00 O ATOM 1821 CB VAL A 112 16.217 -0.737 4.562 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.536 -0.917 3.090 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.720 -0.554 4.763 1.00 0.00 C ATOM 0 H VAL A 112 15.155 -1.524 6.679 1.00 0.00 H new ATOM 0 HA VAL A 112 16.566 -2.855 4.808 1.00 0.00 H new ATOM 0 HB VAL A 112 16.721 0.161 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.164 -0.060 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.615 -0.996 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.059 -1.826 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.376 0.301 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.196 -1.452 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.513 -0.380 5.819 1.00 0.00 H new ATOM 1833 N LYS A 113 19.015 -2.668 5.006 1.00 0.00 N ATOM 1834 CA LYS A 113 20.465 -2.635 5.141 1.00 0.00 C ATOM 1835 C LYS A 113 21.060 -1.452 4.384 1.00 0.00 C ATOM 1836 O LYS A 113 21.323 -0.413 5.025 1.00 0.00 O ATOM 1837 CB LYS A 113 21.069 -3.943 4.627 1.00 0.00 C ATOM 1838 CG LYS A 113 20.550 -5.183 5.344 1.00 0.00 C ATOM 1839 CD LYS A 113 20.781 -5.113 6.848 1.00 0.00 C ATOM 1840 CE LYS A 113 22.261 -5.038 7.189 1.00 0.00 C ATOM 1841 NZ LYS A 113 22.494 -5.050 8.661 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.257 -1.574 3.156 1.00 0.00 O ATOM 0 H LYS A 113 18.665 -3.425 4.418 1.00 0.00 H new ATOM 0 HA LYS A 113 20.705 -2.518 6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.858 -4.036 3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.153 -3.899 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.484 -5.296 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.045 -6.067 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 113 20.270 -4.240 7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.342 -5.990 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 113 22.782 -5.880 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 113 22.686 -4.130 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 23.515 -4.998 8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.019 -4.233 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.111 -5.928 9.066 1.00 0.00 H new