USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.11) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -168:sc= -0.283 (180deg=-0.33) USER MOD Single : A 16 THR OG1 : rot 61:sc= -1.86! USER MOD Single : A 18 MET CE :methyl 169:sc= -0.0152 (180deg=-0.0548) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.043) USER MOD Single : A 34 HIS : no HE2:sc= -2.9! C(o=-2.9!,f=-5.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -1.12 (180deg=-1.69) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 51 HIS : no HD1:sc= -3.59 K(o=-3.6,f=-4.9!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00328 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.609 -3.701 -8.663 1.00 0.00 N ATOM 184 CA GLY A 13 -0.301 -4.372 -8.922 1.00 0.00 C ATOM 185 C GLY A 13 0.843 -3.349 -8.904 1.00 0.00 C ATOM 186 O GLY A 13 2.000 -3.714 -8.809 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.123 -5.138 -8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.330 -4.877 -9.888 1.00 0.00 H new ATOM 190 N GLY A 14 0.538 -2.074 -8.990 1.00 0.00 N ATOM 191 CA GLY A 14 1.617 -1.042 -8.973 1.00 0.00 C ATOM 192 C GLY A 14 1.865 -0.606 -7.534 1.00 0.00 C ATOM 193 O GLY A 14 2.981 -0.317 -7.141 1.00 0.00 O ATOM 0 H GLY A 14 -0.410 -1.708 -9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.532 -1.447 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.328 -0.185 -9.581 1.00 0.00 H new ATOM 197 N ILE A 15 0.824 -0.555 -6.747 1.00 0.00 N ATOM 198 CA ILE A 15 0.966 -0.140 -5.326 1.00 0.00 C ATOM 199 C ILE A 15 1.684 -1.241 -4.552 1.00 0.00 C ATOM 200 O ILE A 15 2.709 -1.020 -3.936 1.00 0.00 O ATOM 201 CB ILE A 15 -0.418 0.062 -4.707 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.286 0.955 -5.606 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.268 0.711 -3.332 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.695 0.367 -5.681 1.00 0.00 C ATOM 0 H ILE A 15 -0.127 -0.786 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 15 1.533 0.790 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.904 -0.908 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.322 1.969 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.852 1.020 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.253 0.856 -2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.328 0.065 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.228 1.676 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.318 0.995 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.648 -0.639 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.125 0.325 -4.680 1.00 0.00 H new ATOM 216 N THR A 16 1.135 -2.429 -4.573 1.00 0.00 N ATOM 217 CA THR A 16 1.751 -3.570 -3.832 1.00 0.00 C ATOM 218 C THR A 16 3.224 -3.741 -4.228 1.00 0.00 C ATOM 219 O THR A 16 4.039 -4.176 -3.437 1.00 0.00 O ATOM 220 CB THR A 16 0.987 -4.857 -4.157 1.00 0.00 C ATOM 221 OG1 THR A 16 1.632 -5.957 -3.531 1.00 0.00 O ATOM 222 CG2 THR A 16 0.959 -5.074 -5.672 1.00 0.00 C ATOM 0 H THR A 16 0.278 -2.659 -5.077 1.00 0.00 H new ATOM 0 HA THR A 16 1.697 -3.362 -2.763 1.00 0.00 H new ATOM 0 HB THR A 16 -0.035 -4.774 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.632 -5.827 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.414 -5.991 -5.898 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.463 -4.230 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.979 -5.156 -6.047 1.00 0.00 H new ATOM 230 N ASP A 17 3.563 -3.409 -5.447 1.00 0.00 N ATOM 231 CA ASP A 17 4.976 -3.557 -5.902 1.00 0.00 C ATOM 232 C ASP A 17 5.872 -2.557 -5.164 1.00 0.00 C ATOM 233 O ASP A 17 7.043 -2.807 -4.950 1.00 0.00 O ATOM 234 CB ASP A 17 5.056 -3.293 -7.408 1.00 0.00 C ATOM 235 CG ASP A 17 6.273 -4.014 -7.989 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.269 -5.234 -7.993 1.00 0.00 O ATOM 237 OD2 ASP A 17 7.190 -3.334 -8.420 1.00 0.00 O ATOM 0 H ASP A 17 2.920 -3.041 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 17 5.316 -4.570 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.146 -3.641 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.130 -2.222 -7.597 1.00 0.00 H new ATOM 242 N MET A 18 5.331 -1.429 -4.778 1.00 0.00 N ATOM 243 CA MET A 18 6.150 -0.409 -4.059 1.00 0.00 C ATOM 244 C MET A 18 6.080 -0.649 -2.549 1.00 0.00 C ATOM 245 O MET A 18 6.966 -0.250 -1.813 1.00 0.00 O ATOM 246 CB MET A 18 5.614 0.987 -4.377 1.00 0.00 C ATOM 247 CG MET A 18 6.364 1.561 -5.581 1.00 0.00 C ATOM 248 SD MET A 18 7.998 2.135 -5.054 1.00 0.00 S ATOM 249 CE MET A 18 8.975 1.072 -6.146 1.00 0.00 C ATOM 0 H MET A 18 4.356 -1.171 -4.931 1.00 0.00 H new ATOM 0 HA MET A 18 7.187 -0.489 -4.385 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.546 0.938 -4.590 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.737 1.641 -3.513 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.466 0.801 -6.356 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.799 2.386 -6.016 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.016 1.394 -6.131 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.910 0.040 -5.803 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.588 1.141 -7.163 1.00 0.00 H new ATOM 259 N LEU A 19 5.043 -1.298 -2.080 1.00 0.00 N ATOM 260 CA LEU A 19 4.922 -1.559 -0.618 1.00 0.00 C ATOM 261 C LEU A 19 5.622 -2.870 -0.292 1.00 0.00 C ATOM 262 O LEU A 19 6.207 -3.029 0.760 1.00 0.00 O ATOM 263 CB LEU A 19 3.443 -1.654 -0.234 1.00 0.00 C ATOM 264 CG LEU A 19 2.819 -0.249 -0.243 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.932 -0.085 -1.478 1.00 0.00 C ATOM 266 CD2 LEU A 19 1.974 -0.052 1.020 1.00 0.00 C ATOM 0 H LEU A 19 4.276 -1.657 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 19 5.383 -0.746 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.916 -2.302 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.341 -2.102 0.754 1.00 0.00 H new ATOM 0 HG LEU A 19 3.615 0.495 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.492 0.912 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.533 -0.218 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.138 -0.832 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.533 0.945 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.181 -0.799 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.606 -0.161 1.901 1.00 0.00 H new ATOM 278 N VAL A 20 5.567 -3.808 -1.198 1.00 0.00 N ATOM 279 CA VAL A 20 6.229 -5.119 -0.971 1.00 0.00 C ATOM 280 C VAL A 20 7.740 -4.957 -1.176 1.00 0.00 C ATOM 281 O VAL A 20 8.535 -5.613 -0.529 1.00 0.00 O ATOM 282 CB VAL A 20 5.661 -6.138 -1.964 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.350 -7.490 -1.780 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.160 -6.304 -1.714 1.00 0.00 C ATOM 0 H VAL A 20 5.087 -3.719 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 20 6.045 -5.470 0.045 1.00 0.00 H new ATOM 0 HB VAL A 20 5.834 -5.781 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.939 -8.207 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.420 -7.380 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.182 -7.849 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.752 -7.028 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.998 -6.657 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.660 -5.345 -1.849 1.00 0.00 H new ATOM 294 N GLU A 21 8.137 -4.088 -2.071 1.00 0.00 N ATOM 295 CA GLU A 21 9.593 -3.876 -2.322 1.00 0.00 C ATOM 296 C GLU A 21 10.229 -3.206 -1.102 1.00 0.00 C ATOM 297 O GLU A 21 11.113 -3.761 -0.468 1.00 0.00 O ATOM 298 CB GLU A 21 9.775 -2.981 -3.549 1.00 0.00 C ATOM 299 CG GLU A 21 11.256 -2.932 -3.931 1.00 0.00 C ATOM 300 CD GLU A 21 11.703 -4.310 -4.424 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.953 -4.923 -5.166 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.787 -4.728 -4.051 1.00 0.00 O ATOM 0 H GLU A 21 7.513 -3.515 -2.640 1.00 0.00 H new ATOM 0 HA GLU A 21 10.074 -4.838 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.186 -3.364 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.410 -1.976 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.417 -2.186 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.854 -2.630 -3.071 1.00 0.00 H new ATOM 309 N LEU A 22 9.787 -2.018 -0.762 1.00 0.00 N ATOM 310 CA LEU A 22 10.373 -1.318 0.418 1.00 0.00 C ATOM 311 C LEU A 22 10.120 -2.153 1.681 1.00 0.00 C ATOM 312 O LEU A 22 10.917 -2.161 2.597 1.00 0.00 O ATOM 313 CB LEU A 22 9.752 0.084 0.562 1.00 0.00 C ATOM 314 CG LEU A 22 8.264 -0.012 0.926 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.111 -0.106 2.451 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.536 1.235 0.419 1.00 0.00 C ATOM 0 H LEU A 22 9.050 -1.508 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 22 11.448 -1.203 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.283 0.644 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.868 0.635 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 22 7.835 -0.901 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.054 -0.174 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.630 -0.993 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.540 0.782 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.479 1.169 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.968 2.122 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.642 1.303 -0.664 1.00 0.00 H new ATOM 328 N ALA A 23 9.011 -2.862 1.727 1.00 0.00 N ATOM 329 CA ALA A 23 8.692 -3.707 2.924 1.00 0.00 C ATOM 330 C ALA A 23 9.876 -4.624 3.236 1.00 0.00 C ATOM 331 O ALA A 23 10.286 -4.757 4.374 1.00 0.00 O ATOM 332 CB ALA A 23 7.456 -4.563 2.635 1.00 0.00 C ATOM 0 H ALA A 23 8.313 -2.890 0.984 1.00 0.00 H new ATOM 0 HA ALA A 23 8.496 -3.058 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.226 -5.176 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.608 -3.915 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.652 -5.208 1.779 1.00 0.00 H new ATOM 338 N ASN A 24 10.444 -5.235 2.225 1.00 0.00 N ATOM 339 CA ASN A 24 11.623 -6.121 2.446 1.00 0.00 C ATOM 340 C ASN A 24 12.757 -5.266 3.011 1.00 0.00 C ATOM 341 O ASN A 24 13.522 -5.699 3.853 1.00 0.00 O ATOM 342 CB ASN A 24 12.054 -6.743 1.111 1.00 0.00 C ATOM 343 CG ASN A 24 11.605 -8.206 1.054 1.00 0.00 C ATOM 344 OD1 ASN A 24 12.415 -9.106 1.154 1.00 0.00 O ATOM 345 ND2 ASN A 24 10.340 -8.482 0.898 1.00 0.00 N ATOM 0 H ASN A 24 10.139 -5.156 1.255 1.00 0.00 H new ATOM 0 HA ASN A 24 11.374 -6.923 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.618 -6.186 0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.137 -6.680 1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.031 -9.453 0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.660 -7.727 0.814 1.00 0.00 H new ATOM 352 N PHE A 25 12.847 -4.041 2.561 1.00 0.00 N ATOM 353 CA PHE A 25 13.904 -3.121 3.070 1.00 0.00 C ATOM 354 C PHE A 25 13.667 -2.835 4.555 1.00 0.00 C ATOM 355 O PHE A 25 14.579 -2.471 5.270 1.00 0.00 O ATOM 356 CB PHE A 25 13.850 -1.809 2.284 1.00 0.00 C ATOM 357 CG PHE A 25 15.080 -0.989 2.580 1.00 0.00 C ATOM 358 CD1 PHE A 25 15.101 -0.132 3.686 1.00 0.00 C ATOM 359 CD2 PHE A 25 16.202 -1.086 1.748 1.00 0.00 C ATOM 360 CE1 PHE A 25 16.243 0.630 3.960 1.00 0.00 C ATOM 361 CE2 PHE A 25 17.344 -0.324 2.022 1.00 0.00 C ATOM 362 CZ PHE A 25 17.365 0.533 3.128 1.00 0.00 C ATOM 0 H PHE A 25 12.228 -3.637 1.858 1.00 0.00 H new ATOM 0 HA PHE A 25 14.882 -3.586 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.788 -2.016 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.954 -1.249 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.236 -0.058 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.186 -1.748 0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.259 1.292 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.209 -0.398 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.247 1.120 3.340 1.00 0.00 H new ATOM 372 N GLU A 26 12.454 -2.995 5.025 1.00 0.00 N ATOM 373 CA GLU A 26 12.171 -2.730 6.468 1.00 0.00 C ATOM 374 C GLU A 26 12.655 -3.918 7.301 1.00 0.00 C ATOM 375 O GLU A 26 13.474 -3.771 8.188 1.00 0.00 O ATOM 376 CB GLU A 26 10.662 -2.533 6.695 1.00 0.00 C ATOM 377 CG GLU A 26 10.041 -1.661 5.587 1.00 0.00 C ATOM 378 CD GLU A 26 10.792 -0.327 5.449 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.542 0.012 6.350 1.00 0.00 O ATOM 380 OE2 GLU A 26 10.601 0.333 4.442 1.00 0.00 O ATOM 0 H GLU A 26 11.651 -3.297 4.473 1.00 0.00 H new ATOM 0 HA GLU A 26 12.693 -1.822 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.166 -3.503 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.496 -2.066 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.069 -2.198 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.992 -1.470 5.815 1.00 0.00 H new ATOM 387 N LYS A 27 12.154 -5.094 7.018 1.00 0.00 N ATOM 388 CA LYS A 27 12.581 -6.298 7.788 1.00 0.00 C ATOM 389 C LYS A 27 14.065 -6.564 7.528 1.00 0.00 C ATOM 390 O LYS A 27 14.808 -6.898 8.431 1.00 0.00 O ATOM 391 CB LYS A 27 11.757 -7.509 7.343 1.00 0.00 C ATOM 392 CG LYS A 27 11.820 -8.593 8.420 1.00 0.00 C ATOM 393 CD LYS A 27 13.166 -9.315 8.340 1.00 0.00 C ATOM 394 CE LYS A 27 12.982 -10.783 8.730 1.00 0.00 C ATOM 395 NZ LYS A 27 14.221 -11.278 9.396 1.00 0.00 N ATOM 0 H LYS A 27 11.467 -5.271 6.285 1.00 0.00 H new ATOM 0 HA LYS A 27 12.422 -6.126 8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.722 -7.214 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.141 -7.896 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.692 -8.148 9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.005 -9.304 8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.569 -9.244 7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.886 -8.839 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.129 -10.888 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.768 -11.382 7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.097 -12.276 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.025 -11.191 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.406 -10.713 10.249 1.00 0.00 H new ATOM 409 N ASN A 28 14.501 -6.410 6.302 1.00 0.00 N ATOM 410 CA ASN A 28 15.943 -6.642 5.976 1.00 0.00 C ATOM 411 C ASN A 28 16.815 -5.700 6.814 1.00 0.00 C ATOM 412 O ASN A 28 17.965 -5.986 7.090 1.00 0.00 O ATOM 413 CB ASN A 28 16.184 -6.369 4.490 1.00 0.00 C ATOM 414 CG ASN A 28 15.582 -7.504 3.658 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.645 -8.151 4.080 1.00 0.00 O ATOM 416 ND2 ASN A 28 16.085 -7.773 2.485 1.00 0.00 N ATOM 0 H ASN A 28 13.919 -6.133 5.511 1.00 0.00 H new ATOM 0 HA ASN A 28 16.202 -7.676 6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.734 -5.418 4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.253 -6.287 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.691 -8.527 1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.872 -7.229 2.131 1.00 0.00 H new ATOM 423 N VAL A 29 16.268 -4.584 7.229 1.00 0.00 N ATOM 424 CA VAL A 29 17.045 -3.621 8.058 1.00 0.00 C ATOM 425 C VAL A 29 16.848 -3.990 9.536 1.00 0.00 C ATOM 426 O VAL A 29 15.970 -4.760 9.879 1.00 0.00 O ATOM 427 CB VAL A 29 16.542 -2.196 7.761 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.114 -1.188 8.768 1.00 0.00 C ATOM 429 CG2 VAL A 29 16.993 -1.794 6.354 1.00 0.00 C ATOM 0 H VAL A 29 15.310 -4.300 7.026 1.00 0.00 H new ATOM 0 HA VAL A 29 18.109 -3.663 7.826 1.00 0.00 H new ATOM 0 HB VAL A 29 15.455 -2.189 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.743 -0.190 8.535 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.804 -1.464 9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.202 -1.193 8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.642 -0.786 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.081 -1.819 6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.577 -2.490 5.626 1.00 0.00 H new ATOM 439 N SER A 30 17.675 -3.466 10.404 1.00 0.00 N ATOM 440 CA SER A 30 17.563 -3.802 11.854 1.00 0.00 C ATOM 441 C SER A 30 16.398 -3.050 12.506 1.00 0.00 C ATOM 442 O SER A 30 15.407 -3.643 12.890 1.00 0.00 O ATOM 443 CB SER A 30 18.865 -3.420 12.558 1.00 0.00 C ATOM 444 OG SER A 30 18.767 -3.746 13.937 1.00 0.00 O ATOM 0 H SER A 30 18.426 -2.817 10.169 1.00 0.00 H new ATOM 0 HA SER A 30 17.379 -4.872 11.949 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.704 -3.949 12.106 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.058 -2.354 12.437 1.00 0.00 H new ATOM 0 HG SER A 30 19.601 -3.504 14.391 1.00 0.00 H new ATOM 450 N GLN A 31 16.522 -1.756 12.663 1.00 0.00 N ATOM 451 CA GLN A 31 15.437 -0.968 13.325 1.00 0.00 C ATOM 452 C GLN A 31 14.372 -0.540 12.306 1.00 0.00 C ATOM 453 O GLN A 31 14.186 0.636 12.044 1.00 0.00 O ATOM 454 CB GLN A 31 16.050 0.272 13.983 1.00 0.00 C ATOM 455 CG GLN A 31 17.101 -0.159 15.007 1.00 0.00 C ATOM 456 CD GLN A 31 16.403 -0.713 16.252 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.082 0.026 17.161 1.00 0.00 O ATOM 458 NE2 GLN A 31 16.155 -1.992 16.331 1.00 0.00 N ATOM 0 H GLN A 31 17.329 -1.210 12.361 1.00 0.00 H new ATOM 0 HA GLN A 31 14.957 -1.593 14.078 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.505 0.911 13.226 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.272 0.860 14.470 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.755 -0.917 14.576 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.731 0.689 15.277 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.425 -2.612 15.567 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.691 -2.372 17.156 1.00 0.00 H new ATOM 467 N ALA A 32 13.655 -1.482 11.744 1.00 0.00 N ATOM 468 CA ALA A 32 12.588 -1.127 10.764 1.00 0.00 C ATOM 469 C ALA A 32 11.481 -2.182 10.809 1.00 0.00 C ATOM 470 O ALA A 32 10.904 -2.530 9.796 1.00 0.00 O ATOM 471 CB ALA A 32 13.175 -1.056 9.356 1.00 0.00 C ATOM 0 H ALA A 32 13.764 -2.480 11.923 1.00 0.00 H new ATOM 0 HA ALA A 32 12.172 -0.154 11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.389 -0.796 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.957 -0.297 9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.599 -2.024 9.089 1.00 0.00 H new ATOM 477 N ILE A 33 11.183 -2.691 11.977 1.00 0.00 N ATOM 478 CA ILE A 33 10.112 -3.724 12.096 1.00 0.00 C ATOM 479 C ILE A 33 8.745 -3.027 12.237 1.00 0.00 C ATOM 480 O ILE A 33 7.726 -3.582 11.879 1.00 0.00 O ATOM 481 CB ILE A 33 10.455 -4.666 13.293 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.570 -6.113 12.791 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.404 -4.614 14.416 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.652 -6.212 11.710 1.00 0.00 C ATOM 0 H ILE A 33 11.636 -2.435 12.854 1.00 0.00 H new ATOM 0 HA ILE A 33 10.055 -4.345 11.202 1.00 0.00 H new ATOM 0 HB ILE A 33 11.401 -4.318 13.709 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.813 -6.776 13.621 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.612 -6.444 12.389 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.697 -5.289 15.220 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.335 -3.597 14.803 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.435 -4.918 14.021 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.725 -7.242 11.361 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.391 -5.563 10.874 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.611 -5.901 12.125 1.00 0.00 H new ATOM 496 N HIS A 34 8.723 -1.821 12.745 1.00 0.00 N ATOM 497 CA HIS A 34 7.418 -1.093 12.886 1.00 0.00 C ATOM 498 C HIS A 34 6.937 -0.690 11.491 1.00 0.00 C ATOM 499 O HIS A 34 5.814 -0.963 11.107 1.00 0.00 O ATOM 500 CB HIS A 34 7.556 0.161 13.779 1.00 0.00 C ATOM 501 CG HIS A 34 8.868 0.866 13.538 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.023 0.520 14.222 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.224 1.897 12.704 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.007 1.326 13.790 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.574 2.187 12.868 1.00 0.00 N ATOM 0 H HIS A 34 9.544 -1.309 13.067 1.00 0.00 H new ATOM 0 HA HIS A 34 6.696 -1.754 13.366 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.731 0.845 13.578 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.483 -0.127 14.828 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.110 -0.213 14.926 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.557 2.406 12.024 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.026 1.282 14.146 1.00 0.00 H new ATOM 513 N LYS A 35 7.791 -0.063 10.723 1.00 0.00 N ATOM 514 CA LYS A 35 7.405 0.339 9.339 1.00 0.00 C ATOM 515 C LYS A 35 7.196 -0.925 8.488 1.00 0.00 C ATOM 516 O LYS A 35 6.485 -0.908 7.503 1.00 0.00 O ATOM 517 CB LYS A 35 8.509 1.212 8.724 1.00 0.00 C ATOM 518 CG LYS A 35 9.834 0.441 8.684 1.00 0.00 C ATOM 519 CD LYS A 35 11.001 1.429 8.620 1.00 0.00 C ATOM 520 CE LYS A 35 11.124 2.163 9.953 1.00 0.00 C ATOM 521 NZ LYS A 35 12.430 2.877 10.010 1.00 0.00 N ATOM 0 H LYS A 35 8.741 0.188 10.996 1.00 0.00 H new ATOM 0 HA LYS A 35 6.479 0.914 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.225 1.513 7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.628 2.125 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.926 -0.190 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.856 -0.220 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.927 0.899 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.842 2.144 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.305 2.873 10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.049 1.455 10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.513 3.377 10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.206 2.190 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.485 3.564 9.231 1.00 0.00 H new ATOM 535 N TYR A 36 7.809 -2.022 8.873 1.00 0.00 N ATOM 536 CA TYR A 36 7.654 -3.299 8.111 1.00 0.00 C ATOM 537 C TYR A 36 6.164 -3.663 8.010 1.00 0.00 C ATOM 538 O TYR A 36 5.606 -3.732 6.932 1.00 0.00 O ATOM 539 CB TYR A 36 8.421 -4.402 8.856 1.00 0.00 C ATOM 540 CG TYR A 36 8.280 -5.727 8.144 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.575 -5.830 6.782 1.00 0.00 C ATOM 542 CD2 TYR A 36 7.857 -6.855 8.857 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.447 -7.062 6.130 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.730 -8.087 8.208 1.00 0.00 C ATOM 545 CZ TYR A 36 8.024 -8.191 6.843 1.00 0.00 C ATOM 546 OH TYR A 36 7.899 -9.406 6.201 1.00 0.00 O ATOM 0 H TYR A 36 8.415 -2.084 9.691 1.00 0.00 H new ATOM 0 HA TYR A 36 8.052 -3.190 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.475 -4.133 8.928 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.044 -4.489 9.875 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.902 -4.959 6.233 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.629 -6.774 9.909 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.674 -7.142 5.077 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.406 -8.957 8.759 1.00 0.00 H new ATOM 0 HH TYR A 36 7.597 -10.084 6.840 1.00 0.00 H new ATOM 556 N ASN A 37 5.520 -3.887 9.130 1.00 0.00 N ATOM 557 CA ASN A 37 4.065 -4.238 9.116 1.00 0.00 C ATOM 558 C ASN A 37 3.270 -3.143 8.392 1.00 0.00 C ATOM 559 O ASN A 37 2.204 -3.388 7.860 1.00 0.00 O ATOM 560 CB ASN A 37 3.560 -4.365 10.555 1.00 0.00 C ATOM 561 CG ASN A 37 3.724 -5.810 11.028 1.00 0.00 C ATOM 562 OD1 ASN A 37 4.821 -6.249 11.310 1.00 0.00 O ATOM 563 ND2 ASN A 37 2.671 -6.576 11.128 1.00 0.00 N ATOM 0 H ASN A 37 5.942 -3.842 10.058 1.00 0.00 H new ATOM 0 HA ASN A 37 3.929 -5.185 8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.117 -3.692 11.208 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.512 -4.069 10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.770 -7.541 11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.749 -6.209 10.892 1.00 0.00 H new ATOM 570 N ALA A 38 3.790 -1.937 8.359 1.00 0.00 N ATOM 571 CA ALA A 38 3.082 -0.816 7.662 1.00 0.00 C ATOM 572 C ALA A 38 2.786 -1.209 6.209 1.00 0.00 C ATOM 573 O ALA A 38 1.648 -1.235 5.778 1.00 0.00 O ATOM 574 CB ALA A 38 3.987 0.420 7.670 1.00 0.00 C ATOM 0 H ALA A 38 4.679 -1.681 8.788 1.00 0.00 H new ATOM 0 HA ALA A 38 2.144 -0.603 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.482 1.244 7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.205 0.705 8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.918 0.192 7.151 1.00 0.00 H new ATOM 580 N TYR A 39 3.809 -1.509 5.456 1.00 0.00 N ATOM 581 CA TYR A 39 3.613 -1.888 4.026 1.00 0.00 C ATOM 582 C TYR A 39 3.301 -3.382 3.920 1.00 0.00 C ATOM 583 O TYR A 39 2.639 -3.818 2.996 1.00 0.00 O ATOM 584 CB TYR A 39 4.887 -1.567 3.240 1.00 0.00 C ATOM 585 CG TYR A 39 5.271 -0.122 3.470 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.028 0.232 4.596 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.869 0.862 2.561 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.381 1.569 4.810 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.223 2.200 2.776 1.00 0.00 C ATOM 590 CZ TYR A 39 5.978 2.554 3.901 1.00 0.00 C ATOM 591 OH TYR A 39 6.325 3.873 4.112 1.00 0.00 O ATOM 0 H TYR A 39 4.779 -1.508 5.772 1.00 0.00 H new ATOM 0 HA TYR A 39 2.777 -1.324 3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.697 -2.224 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.726 -1.747 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.339 -0.527 5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.286 0.590 1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.965 1.841 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.913 2.960 2.073 1.00 0.00 H new ATOM 0 HH TYR A 39 5.966 4.426 3.386 1.00 0.00 H new ATOM 601 N ARG A 40 3.769 -4.169 4.855 1.00 0.00 N ATOM 602 CA ARG A 40 3.498 -5.635 4.808 1.00 0.00 C ATOM 603 C ARG A 40 1.995 -5.881 4.959 1.00 0.00 C ATOM 604 O ARG A 40 1.419 -6.698 4.266 1.00 0.00 O ATOM 605 CB ARG A 40 4.246 -6.329 5.950 1.00 0.00 C ATOM 606 CG ARG A 40 4.323 -7.831 5.671 1.00 0.00 C ATOM 607 CD ARG A 40 5.388 -8.099 4.605 1.00 0.00 C ATOM 608 NE ARG A 40 5.380 -9.552 4.247 1.00 0.00 N ATOM 609 CZ ARG A 40 4.449 -10.061 3.463 1.00 0.00 C ATOM 610 NH1 ARG A 40 3.488 -9.319 2.962 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.484 -11.335 3.180 1.00 0.00 N ATOM 0 H ARG A 40 4.328 -3.858 5.650 1.00 0.00 H new ATOM 0 HA ARG A 40 3.838 -6.037 3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.249 -5.914 6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.735 -6.150 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.567 -8.370 6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.354 -8.199 5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.192 -7.494 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.371 -7.810 4.977 1.00 0.00 H new ATOM 0 HE ARG A 40 6.109 -10.161 4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.449 -8.323 3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.781 -9.739 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.224 -11.923 3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.771 -11.743 2.575 1.00 0.00 H new ATOM 625 N LYS A 41 1.358 -5.178 5.862 1.00 0.00 N ATOM 626 CA LYS A 41 -0.108 -5.365 6.069 1.00 0.00 C ATOM 627 C LYS A 41 -0.881 -4.634 4.968 1.00 0.00 C ATOM 628 O LYS A 41 -1.797 -5.178 4.379 1.00 0.00 O ATOM 629 CB LYS A 41 -0.508 -4.800 7.432 1.00 0.00 C ATOM 630 CG LYS A 41 -0.097 -5.780 8.533 1.00 0.00 C ATOM 631 CD LYS A 41 -1.249 -6.747 8.813 1.00 0.00 C ATOM 632 CE LYS A 41 -0.702 -8.024 9.452 1.00 0.00 C ATOM 633 NZ LYS A 41 -1.718 -8.589 10.384 1.00 0.00 N ATOM 0 H LYS A 41 1.793 -4.481 6.466 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.344 -6.428 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.028 -3.835 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.584 -4.630 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.791 -6.334 8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.163 -5.235 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.977 -6.279 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.770 -6.986 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.456 -8.753 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.220 -7.807 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.346 -9.457 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.931 -7.894 11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.587 -8.810 9.857 1.00 0.00 H new ATOM 647 N ALA A 42 -0.521 -3.406 4.686 1.00 0.00 N ATOM 648 CA ALA A 42 -1.234 -2.635 3.625 1.00 0.00 C ATOM 649 C ALA A 42 -1.057 -3.336 2.276 1.00 0.00 C ATOM 650 O ALA A 42 -1.996 -3.485 1.518 1.00 0.00 O ATOM 651 CB ALA A 42 -0.658 -1.220 3.542 1.00 0.00 C ATOM 0 H ALA A 42 0.238 -2.905 5.147 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.294 -2.581 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.180 -0.659 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.786 -0.718 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.403 -1.273 3.299 1.00 0.00 H new ATOM 657 N ALA A 43 0.140 -3.770 1.976 1.00 0.00 N ATOM 658 CA ALA A 43 0.385 -4.466 0.679 1.00 0.00 C ATOM 659 C ALA A 43 -0.425 -5.763 0.637 1.00 0.00 C ATOM 660 O ALA A 43 -0.824 -6.219 -0.417 1.00 0.00 O ATOM 661 CB ALA A 43 1.875 -4.790 0.546 1.00 0.00 C ATOM 0 H ALA A 43 0.960 -3.672 2.575 1.00 0.00 H new ATOM 0 HA ALA A 43 0.080 -3.819 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.054 -5.298 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.452 -3.866 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.182 -5.437 1.368 1.00 0.00 H new ATOM 667 N SER A 44 -0.666 -6.361 1.776 1.00 0.00 N ATOM 668 CA SER A 44 -1.447 -7.633 1.810 1.00 0.00 C ATOM 669 C SER A 44 -2.895 -7.369 1.386 1.00 0.00 C ATOM 670 O SER A 44 -3.436 -8.057 0.540 1.00 0.00 O ATOM 671 CB SER A 44 -1.430 -8.201 3.230 1.00 0.00 C ATOM 672 OG SER A 44 -1.840 -9.562 3.196 1.00 0.00 O ATOM 0 H SER A 44 -0.354 -6.022 2.686 1.00 0.00 H new ATOM 0 HA SER A 44 -0.997 -8.348 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.429 -8.121 3.654 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.095 -7.625 3.873 1.00 0.00 H new ATOM 0 HG SER A 44 -1.829 -9.930 4.104 1.00 0.00 H new ATOM 678 N VAL A 45 -3.529 -6.386 1.976 1.00 0.00 N ATOM 679 CA VAL A 45 -4.948 -6.082 1.617 1.00 0.00 C ATOM 680 C VAL A 45 -5.014 -5.438 0.225 1.00 0.00 C ATOM 681 O VAL A 45 -5.844 -5.798 -0.587 1.00 0.00 O ATOM 682 CB VAL A 45 -5.558 -5.141 2.671 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.800 -3.811 2.702 1.00 0.00 C ATOM 684 CG2 VAL A 45 -7.031 -4.876 2.336 1.00 0.00 C ATOM 0 H VAL A 45 -3.125 -5.781 2.691 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.520 -7.010 1.597 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.482 -5.617 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.244 -3.157 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.755 -3.994 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.861 -3.335 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.460 -4.209 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.103 -4.412 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.579 -5.818 2.333 1.00 0.00 H new ATOM 694 N ILE A 46 -4.154 -4.491 -0.052 1.00 0.00 N ATOM 695 CA ILE A 46 -4.174 -3.822 -1.388 1.00 0.00 C ATOM 696 C ILE A 46 -3.832 -4.844 -2.479 1.00 0.00 C ATOM 697 O ILE A 46 -4.549 -4.983 -3.453 1.00 0.00 O ATOM 698 CB ILE A 46 -3.156 -2.673 -1.401 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.517 -1.668 -0.301 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.184 -1.966 -2.761 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.434 -0.588 -0.214 1.00 0.00 C ATOM 0 H ILE A 46 -3.438 -4.152 0.590 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.168 -3.418 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.158 -3.074 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.483 -1.211 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.611 -2.180 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.459 -1.152 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.932 -2.678 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.181 -1.564 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.693 0.125 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.476 -1.052 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.361 -0.068 -1.169 1.00 0.00 H new ATOM 713 N ALA A 47 -2.745 -5.556 -2.326 1.00 0.00 N ATOM 714 CA ALA A 47 -2.353 -6.567 -3.353 1.00 0.00 C ATOM 715 C ALA A 47 -3.419 -7.667 -3.443 1.00 0.00 C ATOM 716 O ALA A 47 -3.512 -8.363 -4.438 1.00 0.00 O ATOM 717 CB ALA A 47 -1.012 -7.192 -2.968 1.00 0.00 C ATOM 0 H ALA A 47 -2.110 -5.480 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.265 -6.074 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.726 -7.930 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.250 -6.414 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.103 -7.678 -1.997 1.00 0.00 H new ATOM 723 N LYS A 48 -4.218 -7.834 -2.416 1.00 0.00 N ATOM 724 CA LYS A 48 -5.272 -8.892 -2.447 1.00 0.00 C ATOM 725 C LYS A 48 -6.656 -8.241 -2.388 1.00 0.00 C ATOM 726 O LYS A 48 -7.606 -8.831 -1.908 1.00 0.00 O ATOM 727 CB LYS A 48 -5.097 -9.817 -1.244 1.00 0.00 C ATOM 728 CG LYS A 48 -5.930 -11.084 -1.447 1.00 0.00 C ATOM 729 CD LYS A 48 -5.270 -12.254 -0.714 1.00 0.00 C ATOM 730 CE LYS A 48 -4.336 -12.996 -1.673 1.00 0.00 C ATOM 731 NZ LYS A 48 -3.207 -12.103 -2.058 1.00 0.00 N ATOM 0 H LYS A 48 -4.184 -7.282 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.181 -9.467 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.045 -10.076 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.408 -9.307 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.942 -10.930 -1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.015 -11.309 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.709 -11.888 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.032 -12.934 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.953 -13.900 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.884 -13.310 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.472 -12.660 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.554 -11.361 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.806 -11.663 -1.205 1.00 0.00 H new ATOM 745 N TYR A 49 -6.775 -7.031 -2.871 1.00 0.00 N ATOM 746 CA TYR A 49 -8.095 -6.336 -2.846 1.00 0.00 C ATOM 747 C TYR A 49 -8.853 -6.645 -4.151 1.00 0.00 C ATOM 748 O TYR A 49 -8.249 -6.667 -5.205 1.00 0.00 O ATOM 749 CB TYR A 49 -7.860 -4.823 -2.725 1.00 0.00 C ATOM 750 CG TYR A 49 -9.053 -4.142 -2.081 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.645 -4.679 -0.928 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.562 -2.962 -2.635 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.741 -4.039 -0.337 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.658 -2.322 -2.043 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.247 -2.861 -0.894 1.00 0.00 C ATOM 756 OH TYR A 49 -12.327 -2.231 -0.311 1.00 0.00 O ATOM 0 H TYR A 49 -6.012 -6.494 -3.283 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.685 -6.681 -1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.965 -4.636 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.682 -4.398 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.254 -5.588 -0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.108 -2.544 -3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.196 -4.456 0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.049 -1.412 -2.474 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.551 -1.426 -0.822 1.00 0.00 H new ATOM 766 N PRO A 50 -10.151 -6.879 -4.062 1.00 0.00 N ATOM 767 CA PRO A 50 -11.008 -7.195 -5.249 1.00 0.00 C ATOM 768 C PRO A 50 -11.512 -5.916 -5.927 1.00 0.00 C ATOM 769 O PRO A 50 -12.384 -5.970 -6.775 1.00 0.00 O ATOM 770 CB PRO A 50 -12.173 -7.969 -4.647 1.00 0.00 C ATOM 771 CG PRO A 50 -12.276 -7.571 -3.185 1.00 0.00 C ATOM 772 CD PRO A 50 -10.973 -6.867 -2.797 1.00 0.00 C ATOM 0 HA PRO A 50 -10.470 -7.749 -6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.099 -7.739 -5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.010 -9.043 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.128 -6.910 -3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.436 -8.450 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.158 -5.850 -2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.464 -7.390 -1.987 1.00 0.00 H new ATOM 780 N HIS A 51 -10.988 -4.769 -5.560 1.00 0.00 N ATOM 781 CA HIS A 51 -11.468 -3.501 -6.192 1.00 0.00 C ATOM 782 C HIS A 51 -10.313 -2.502 -6.282 1.00 0.00 C ATOM 783 O HIS A 51 -9.244 -2.727 -5.745 1.00 0.00 O ATOM 784 CB HIS A 51 -12.608 -2.906 -5.352 1.00 0.00 C ATOM 785 CG HIS A 51 -13.605 -3.986 -5.017 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.468 -4.517 -5.963 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.859 -4.670 -3.853 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.191 -5.478 -5.357 1.00 0.00 C ATOM 789 NE2 HIS A 51 -14.861 -5.609 -4.071 1.00 0.00 N ATOM 0 H HIS A 51 -10.257 -4.658 -4.858 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.836 -3.714 -7.196 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.209 -2.469 -4.437 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.098 -2.103 -5.902 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.357 -4.504 -2.912 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.946 -6.071 -5.852 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.259 -6.259 -3.393 1.00 0.00 H new ATOM 797 N LYS A 52 -10.521 -1.403 -6.961 1.00 0.00 N ATOM 798 CA LYS A 52 -9.440 -0.384 -7.096 1.00 0.00 C ATOM 799 C LYS A 52 -9.635 0.715 -6.050 1.00 0.00 C ATOM 800 O LYS A 52 -10.741 1.157 -5.802 1.00 0.00 O ATOM 801 CB LYS A 52 -9.489 0.230 -8.501 1.00 0.00 C ATOM 802 CG LYS A 52 -10.882 0.824 -8.767 1.00 0.00 C ATOM 803 CD LYS A 52 -11.515 0.145 -9.987 1.00 0.00 C ATOM 804 CE LYS A 52 -12.991 0.536 -10.080 1.00 0.00 C ATOM 805 NZ LYS A 52 -13.101 1.993 -10.382 1.00 0.00 N ATOM 0 H LYS A 52 -11.396 -1.168 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.472 -0.861 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.730 1.006 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.260 -0.531 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.518 0.687 -7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.802 1.898 -8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.991 0.443 -10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.419 -0.938 -9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.484 -0.046 -10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.498 0.309 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.091 2.229 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.784 2.543 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.505 2.223 -11.203 1.00 0.00 H new ATOM 819 N ILE A 53 -8.566 1.160 -5.440 1.00 0.00 N ATOM 820 CA ILE A 53 -8.677 2.234 -4.411 1.00 0.00 C ATOM 821 C ILE A 53 -8.968 3.567 -5.103 1.00 0.00 C ATOM 822 O ILE A 53 -8.249 3.981 -5.995 1.00 0.00 O ATOM 823 CB ILE A 53 -7.363 2.334 -3.634 1.00 0.00 C ATOM 824 CG1 ILE A 53 -6.997 0.959 -3.071 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.527 3.328 -2.482 1.00 0.00 C ATOM 826 CD1 ILE A 53 -5.537 0.967 -2.615 1.00 0.00 C ATOM 0 H ILE A 53 -7.619 0.824 -5.612 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.486 1.998 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.572 2.676 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.649 0.712 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.148 0.191 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.591 3.400 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.789 4.308 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.318 2.985 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.276 -0.012 -2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.892 1.195 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.401 1.724 -1.842 1.00 0.00 H new ATOM 838 N LYS A 54 -10.016 4.240 -4.701 1.00 0.00 N ATOM 839 CA LYS A 54 -10.362 5.547 -5.333 1.00 0.00 C ATOM 840 C LYS A 54 -9.510 6.656 -4.713 1.00 0.00 C ATOM 841 O LYS A 54 -8.800 7.364 -5.404 1.00 0.00 O ATOM 842 CB LYS A 54 -11.843 5.850 -5.100 1.00 0.00 C ATOM 843 CG LYS A 54 -12.661 5.357 -6.295 1.00 0.00 C ATOM 844 CD LYS A 54 -12.930 3.857 -6.146 1.00 0.00 C ATOM 845 CE LYS A 54 -14.172 3.479 -6.956 1.00 0.00 C ATOM 846 NZ LYS A 54 -14.141 2.022 -7.262 1.00 0.00 N ATOM 0 H LYS A 54 -10.648 3.939 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.166 5.495 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.185 5.363 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.988 6.922 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.603 5.902 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.122 5.550 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.069 3.286 -6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.077 3.606 -5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.074 3.724 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.205 4.055 -7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.865 1.802 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.203 1.764 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.333 1.481 -6.395 1.00 0.00 H new ATOM 860 N SER A 55 -9.578 6.813 -3.415 1.00 0.00 N ATOM 861 CA SER A 55 -8.777 7.877 -2.741 1.00 0.00 C ATOM 862 C SER A 55 -8.058 7.284 -1.528 1.00 0.00 C ATOM 863 O SER A 55 -8.180 6.108 -1.237 1.00 0.00 O ATOM 864 CB SER A 55 -9.706 9.001 -2.284 1.00 0.00 C ATOM 865 OG SER A 55 -10.798 8.445 -1.565 1.00 0.00 O ATOM 0 H SER A 55 -10.156 6.248 -2.792 1.00 0.00 H new ATOM 0 HA SER A 55 -8.041 8.275 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.162 9.705 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.070 9.560 -3.146 1.00 0.00 H new ATOM 0 HG SER A 55 -11.395 9.164 -1.269 1.00 0.00 H new ATOM 871 N GLY A 56 -7.310 8.091 -0.819 1.00 0.00 N ATOM 872 CA GLY A 56 -6.576 7.587 0.381 1.00 0.00 C ATOM 873 C GLY A 56 -7.570 7.028 1.402 1.00 0.00 C ATOM 874 O GLY A 56 -7.254 6.130 2.159 1.00 0.00 O ATOM 0 H GLY A 56 -7.176 9.082 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.869 6.812 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.996 8.394 0.829 1.00 0.00 H new ATOM 878 N ALA A 57 -8.770 7.553 1.424 1.00 0.00 N ATOM 879 CA ALA A 57 -9.793 7.053 2.391 1.00 0.00 C ATOM 880 C ALA A 57 -10.097 5.583 2.094 1.00 0.00 C ATOM 881 O ALA A 57 -10.398 4.810 2.983 1.00 0.00 O ATOM 882 CB ALA A 57 -11.075 7.879 2.249 1.00 0.00 C ATOM 0 H ALA A 57 -9.085 8.307 0.813 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.411 7.147 3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.822 7.515 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.858 8.926 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.458 7.784 1.233 1.00 0.00 H new ATOM 888 N GLU A 58 -10.014 5.198 0.847 1.00 0.00 N ATOM 889 CA GLU A 58 -10.289 3.779 0.474 1.00 0.00 C ATOM 890 C GLU A 58 -9.202 2.866 1.056 1.00 0.00 C ATOM 891 O GLU A 58 -9.405 1.678 1.216 1.00 0.00 O ATOM 892 CB GLU A 58 -10.302 3.650 -1.053 1.00 0.00 C ATOM 893 CG GLU A 58 -11.745 3.718 -1.568 1.00 0.00 C ATOM 894 CD GLU A 58 -12.239 2.310 -1.910 1.00 0.00 C ATOM 895 OE1 GLU A 58 -11.758 1.756 -2.886 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.089 1.811 -1.192 1.00 0.00 O ATOM 0 H GLU A 58 -9.767 5.808 0.068 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.258 3.482 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.709 4.448 -1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.844 2.707 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.390 4.166 -0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.797 4.356 -2.450 1.00 0.00 H new ATOM 903 N ALA A 59 -8.049 3.410 1.373 1.00 0.00 N ATOM 904 CA ALA A 59 -6.953 2.573 1.943 1.00 0.00 C ATOM 905 C ALA A 59 -7.120 2.464 3.461 1.00 0.00 C ATOM 906 O ALA A 59 -6.700 1.497 4.070 1.00 0.00 O ATOM 907 CB ALA A 59 -5.603 3.219 1.624 1.00 0.00 C ATOM 0 H ALA A 59 -7.824 4.398 1.260 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.995 1.576 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.801 2.609 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.481 3.292 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.564 4.217 2.062 1.00 0.00 H new ATOM 913 N LYS A 60 -7.727 3.449 4.076 1.00 0.00 N ATOM 914 CA LYS A 60 -7.921 3.409 5.557 1.00 0.00 C ATOM 915 C LYS A 60 -9.011 2.392 5.907 1.00 0.00 C ATOM 916 O LYS A 60 -8.896 1.655 6.868 1.00 0.00 O ATOM 917 CB LYS A 60 -8.340 4.794 6.054 1.00 0.00 C ATOM 918 CG LYS A 60 -7.148 5.749 5.973 1.00 0.00 C ATOM 919 CD LYS A 60 -7.514 7.080 6.630 1.00 0.00 C ATOM 920 CE LYS A 60 -7.275 6.989 8.139 1.00 0.00 C ATOM 921 NZ LYS A 60 -8.134 7.986 8.839 1.00 0.00 N ATOM 0 H LYS A 60 -8.097 4.280 3.615 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.986 3.116 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.165 5.174 5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.699 4.730 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.283 5.311 6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.868 5.910 4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.914 7.885 6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.558 7.321 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.503 5.984 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.225 7.176 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.972 7.925 9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.896 8.943 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.134 7.787 8.634 1.00 0.00 H new ATOM 935 N LYS A 61 -10.068 2.352 5.135 1.00 0.00 N ATOM 936 CA LYS A 61 -11.175 1.389 5.417 1.00 0.00 C ATOM 937 C LYS A 61 -10.647 -0.049 5.362 1.00 0.00 C ATOM 938 O LYS A 61 -11.188 -0.939 5.990 1.00 0.00 O ATOM 939 CB LYS A 61 -12.285 1.567 4.373 1.00 0.00 C ATOM 940 CG LYS A 61 -11.715 1.357 2.967 1.00 0.00 C ATOM 941 CD LYS A 61 -12.835 1.495 1.935 1.00 0.00 C ATOM 942 CE LYS A 61 -13.647 0.199 1.886 1.00 0.00 C ATOM 943 NZ LYS A 61 -15.074 0.517 1.602 1.00 0.00 N ATOM 0 H LYS A 61 -10.212 2.947 4.319 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.573 1.584 6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.089 0.855 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.717 2.564 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.931 2.088 2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.257 0.371 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.482 2.333 2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.414 1.710 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.250 -0.462 1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.563 -0.331 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.626 -0.364 1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.449 1.132 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.145 1.005 0.686 1.00 0.00 H new ATOM 957 N LEU A 62 -9.599 -0.280 4.609 1.00 0.00 N ATOM 958 CA LEU A 62 -9.038 -1.659 4.506 1.00 0.00 C ATOM 959 C LEU A 62 -8.526 -2.105 5.889 1.00 0.00 C ATOM 960 O LEU A 62 -7.883 -1.332 6.574 1.00 0.00 O ATOM 961 CB LEU A 62 -7.876 -1.666 3.509 1.00 0.00 C ATOM 962 CG LEU A 62 -8.349 -1.145 2.148 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.137 -0.892 1.250 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.262 -2.181 1.487 1.00 0.00 C ATOM 0 H LEU A 62 -9.109 0.428 4.062 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.815 -2.343 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.062 -1.045 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.483 -2.677 3.404 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.900 -0.215 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.473 -0.521 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.487 -0.152 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.586 -1.822 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.596 -1.807 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.713 -3.112 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.127 -2.363 2.124 1.00 0.00 H new ATOM 976 N PRO A 63 -8.809 -3.340 6.274 1.00 0.00 N ATOM 977 CA PRO A 63 -8.371 -3.903 7.591 1.00 0.00 C ATOM 978 C PRO A 63 -6.914 -4.356 7.509 1.00 0.00 C ATOM 979 O PRO A 63 -6.593 -5.339 6.869 1.00 0.00 O ATOM 980 CB PRO A 63 -9.304 -5.085 7.808 1.00 0.00 C ATOM 981 CG PRO A 63 -9.795 -5.526 6.442 1.00 0.00 C ATOM 982 CD PRO A 63 -9.589 -4.357 5.475 1.00 0.00 C ATOM 0 HA PRO A 63 -8.420 -3.183 8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.782 -5.899 8.311 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.142 -4.802 8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.246 -6.404 6.103 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.848 -5.806 6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.041 -4.669 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.541 -3.950 5.136 1.00 0.00 H new ATOM 990 N GLY A 64 -6.033 -3.634 8.148 1.00 0.00 N ATOM 991 CA GLY A 64 -4.587 -3.997 8.111 1.00 0.00 C ATOM 992 C GLY A 64 -3.750 -2.760 7.766 1.00 0.00 C ATOM 993 O GLY A 64 -2.562 -2.719 8.025 1.00 0.00 O ATOM 0 H GLY A 64 -6.254 -2.803 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.279 -4.398 9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.418 -4.780 7.371 1.00 0.00 H new ATOM 997 N VAL A 65 -4.358 -1.750 7.184 1.00 0.00 N ATOM 998 CA VAL A 65 -3.592 -0.520 6.825 1.00 0.00 C ATOM 999 C VAL A 65 -3.618 0.454 8.005 1.00 0.00 C ATOM 1000 O VAL A 65 -4.630 0.620 8.661 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.231 0.143 5.601 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.376 1.331 5.154 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.323 -0.871 4.459 1.00 0.00 C ATOM 0 H VAL A 65 -5.349 -1.728 6.944 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.561 -0.787 6.594 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.230 0.491 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.833 1.801 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.309 2.057 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.376 0.983 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.778 -0.398 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.323 -1.220 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.934 -1.718 4.773 1.00 0.00 H new ATOM 1013 N GLY A 66 -2.510 1.095 8.279 1.00 0.00 N ATOM 1014 CA GLY A 66 -2.459 2.060 9.416 1.00 0.00 C ATOM 1015 C GLY A 66 -2.829 3.457 8.919 1.00 0.00 C ATOM 1016 O GLY A 66 -3.594 3.610 7.985 1.00 0.00 O ATOM 0 H GLY A 66 -1.637 0.990 7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.147 1.748 10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.460 2.071 9.853 1.00 0.00 H new ATOM 1020 N THR A 67 -2.290 4.477 9.538 1.00 0.00 N ATOM 1021 CA THR A 67 -2.604 5.870 9.109 1.00 0.00 C ATOM 1022 C THR A 67 -1.484 6.396 8.211 1.00 0.00 C ATOM 1023 O THR A 67 -1.727 7.136 7.277 1.00 0.00 O ATOM 1024 CB THR A 67 -2.732 6.767 10.343 1.00 0.00 C ATOM 1025 OG1 THR A 67 -1.580 6.609 11.160 1.00 0.00 O ATOM 1026 CG2 THR A 67 -3.980 6.375 11.135 1.00 0.00 C ATOM 0 H THR A 67 -1.644 4.403 10.324 1.00 0.00 H new ATOM 0 HA THR A 67 -3.543 5.875 8.556 1.00 0.00 H new ATOM 0 HB THR A 67 -2.817 7.808 10.030 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.658 7.183 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.069 7.015 12.013 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.862 6.496 10.507 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.899 5.335 11.451 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.260 6.022 8.490 1.00 0.00 N ATOM 1035 CA LYS A 68 0.885 6.502 7.658 1.00 0.00 C ATOM 1036 C LYS A 68 0.853 5.815 6.287 1.00 0.00 C ATOM 1037 O LYS A 68 1.122 6.429 5.271 1.00 0.00 O ATOM 1038 CB LYS A 68 2.210 6.188 8.369 1.00 0.00 C ATOM 1039 CG LYS A 68 2.358 4.676 8.579 1.00 0.00 C ATOM 1040 CD LYS A 68 3.273 4.416 9.777 1.00 0.00 C ATOM 1041 CE LYS A 68 2.935 3.056 10.391 1.00 0.00 C ATOM 1042 NZ LYS A 68 3.240 3.080 11.850 1.00 0.00 N ATOM 0 H LYS A 68 -0.004 5.404 9.260 1.00 0.00 H new ATOM 0 HA LYS A 68 0.801 7.580 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.045 6.563 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.245 6.700 9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.381 4.224 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.772 4.212 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.316 4.436 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.149 5.204 10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.882 2.825 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.511 2.271 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.010 2.156 12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.251 3.282 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.672 3.819 12.311 1.00 0.00 H new ATOM 1056 N ILE A 69 0.534 4.547 6.255 1.00 0.00 N ATOM 1057 CA ILE A 69 0.488 3.814 4.955 1.00 0.00 C ATOM 1058 C ILE A 69 -0.740 4.252 4.158 1.00 0.00 C ATOM 1059 O ILE A 69 -0.680 4.422 2.955 1.00 0.00 O ATOM 1060 CB ILE A 69 0.406 2.313 5.235 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.568 1.908 6.156 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.476 1.532 3.917 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.916 2.136 5.456 1.00 0.00 C ATOM 0 H ILE A 69 0.303 3.986 7.075 1.00 0.00 H new ATOM 0 HA ILE A 69 1.385 4.036 4.377 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.540 2.082 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.528 2.488 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.470 0.859 6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.417 0.463 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.356 1.824 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.417 1.753 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.727 1.844 6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.960 1.536 4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.019 3.190 5.200 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.855 4.427 4.819 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.100 4.845 4.107 1.00 0.00 C ATOM 1077 C ALA A 70 -2.881 6.190 3.408 1.00 0.00 C ATOM 1078 O ALA A 70 -3.164 6.339 2.234 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.245 4.970 5.113 1.00 0.00 C ATOM 0 H ALA A 70 -1.957 4.298 5.826 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.351 4.094 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.154 5.275 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.410 4.008 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.989 5.716 5.865 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.379 7.174 4.119 1.00 0.00 N ATOM 1086 CA GLU A 71 -2.144 8.511 3.499 1.00 0.00 C ATOM 1087 C GLU A 71 -1.202 8.368 2.299 1.00 0.00 C ATOM 1088 O GLU A 71 -1.324 9.072 1.315 1.00 0.00 O ATOM 1089 CB GLU A 71 -1.524 9.459 4.531 1.00 0.00 C ATOM 1090 CG GLU A 71 -0.236 8.850 5.087 1.00 0.00 C ATOM 1091 CD GLU A 71 0.427 9.843 6.044 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -0.027 9.942 7.171 1.00 0.00 O ATOM 1093 OE2 GLU A 71 1.378 10.486 5.631 1.00 0.00 O ATOM 0 H GLU A 71 -2.123 7.105 5.104 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.096 8.920 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.311 10.424 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.230 9.641 5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.457 7.919 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.444 8.605 4.272 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.269 7.452 2.375 1.00 0.00 N ATOM 1101 CA LYS A 72 0.682 7.246 1.242 1.00 0.00 C ATOM 1102 C LYS A 72 -0.101 6.811 0.001 1.00 0.00 C ATOM 1103 O LYS A 72 0.200 7.213 -1.108 1.00 0.00 O ATOM 1104 CB LYS A 72 1.693 6.159 1.615 1.00 0.00 C ATOM 1105 CG LYS A 72 2.732 6.735 2.579 1.00 0.00 C ATOM 1106 CD LYS A 72 3.689 7.649 1.812 1.00 0.00 C ATOM 1107 CE LYS A 72 4.908 7.959 2.684 1.00 0.00 C ATOM 1108 NZ LYS A 72 5.444 9.304 2.329 1.00 0.00 N ATOM 0 H LYS A 72 -0.125 6.837 3.176 1.00 0.00 H new ATOM 0 HA LYS A 72 1.212 8.176 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.181 5.315 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.184 5.781 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.237 7.294 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.288 5.928 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.004 7.168 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.182 8.573 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.631 7.933 3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.676 7.199 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.272 9.515 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.723 9.313 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.711 10.024 2.490 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.112 5.998 0.186 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.931 5.538 -0.974 1.00 0.00 C ATOM 1124 C ILE A 73 -2.626 6.748 -1.600 1.00 0.00 C ATOM 1125 O ILE A 73 -2.743 6.853 -2.805 1.00 0.00 O ATOM 1126 CB ILE A 73 -2.982 4.530 -0.491 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.295 3.372 0.255 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.758 3.979 -1.691 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.301 2.655 -0.669 1.00 0.00 C ATOM 0 H ILE A 73 -1.404 5.633 1.093 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.290 5.058 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.672 5.033 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.774 3.755 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.044 2.665 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.504 3.263 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.255 4.798 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.068 3.483 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.824 1.839 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.831 2.255 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.541 3.361 -1.004 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.077 7.671 -0.784 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.762 8.893 -1.313 1.00 0.00 C ATOM 1143 C ASP A 74 -2.844 9.606 -2.310 1.00 0.00 C ATOM 1144 O ASP A 74 -3.283 10.079 -3.341 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.082 9.839 -0.152 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.360 10.621 -0.464 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.586 10.911 -1.627 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.089 10.920 0.468 1.00 0.00 O ATOM 0 H ASP A 74 -2.999 7.630 0.232 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.685 8.602 -1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.207 9.271 0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.252 10.528 0.009 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.569 9.672 -2.014 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.613 10.337 -2.947 1.00 0.00 C ATOM 1155 C GLU A 75 -0.581 9.551 -4.259 1.00 0.00 C ATOM 1156 O GLU A 75 -0.416 10.108 -5.327 1.00 0.00 O ATOM 1157 CB GLU A 75 0.786 10.352 -2.325 1.00 0.00 C ATOM 1158 CG GLU A 75 0.980 11.648 -1.535 1.00 0.00 C ATOM 1159 CD GLU A 75 0.048 11.650 -0.322 1.00 0.00 C ATOM 1160 OE1 GLU A 75 0.293 10.880 0.591 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -0.897 12.424 -0.327 1.00 0.00 O ATOM 0 H GLU A 75 -1.150 9.293 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.931 11.363 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.913 9.491 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.543 10.272 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.017 11.737 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.770 12.509 -2.170 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.752 8.257 -4.178 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.751 7.412 -5.406 1.00 0.00 C ATOM 1170 C PHE A 76 -1.950 7.785 -6.275 1.00 0.00 C ATOM 1171 O PHE A 76 -1.818 8.069 -7.451 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.863 5.935 -5.000 1.00 0.00 C ATOM 1173 CG PHE A 76 0.435 5.227 -5.284 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.609 5.653 -4.661 1.00 0.00 C ATOM 1175 CD2 PHE A 76 0.459 4.146 -6.170 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.818 4.996 -4.924 1.00 0.00 C ATOM 1177 CE2 PHE A 76 1.666 3.488 -6.435 1.00 0.00 C ATOM 1178 CZ PHE A 76 2.845 3.913 -5.811 1.00 0.00 C ATOM 0 H PHE A 76 -0.893 7.747 -3.306 1.00 0.00 H new ATOM 0 HA PHE A 76 0.172 7.574 -5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.106 5.857 -3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.675 5.458 -5.549 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.585 6.488 -3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.452 3.819 -6.649 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.728 5.324 -4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.688 2.653 -7.120 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.776 3.405 -6.014 1.00 0.00 H new ATOM 1188 N LEU A 77 -3.116 7.768 -5.697 1.00 0.00 N ATOM 1189 CA LEU A 77 -4.346 8.100 -6.463 1.00 0.00 C ATOM 1190 C LEU A 77 -4.396 9.605 -6.757 1.00 0.00 C ATOM 1191 O LEU A 77 -5.057 10.038 -7.681 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.575 7.700 -5.635 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.780 6.173 -5.639 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.853 5.641 -7.073 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.623 5.495 -4.902 1.00 0.00 C ATOM 0 H LEU A 77 -3.271 7.536 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.340 7.556 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.455 8.050 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.462 8.189 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.720 5.949 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.998 4.561 -7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.688 6.110 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.925 5.873 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.771 4.415 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.684 5.734 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.588 5.852 -3.873 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.707 10.406 -5.977 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.722 11.882 -6.212 1.00 0.00 C ATOM 1209 C ALA A 78 -3.163 12.190 -7.609 1.00 0.00 C ATOM 1210 O ALA A 78 -3.908 12.419 -8.543 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.869 12.576 -5.146 1.00 0.00 C ATOM 0 H ALA A 78 -3.136 10.099 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.746 12.249 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.879 13.653 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.276 12.361 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.844 12.209 -5.204 1.00 0.00 H new ATOM 1217 N THR A 79 -1.860 12.196 -7.757 1.00 0.00 N ATOM 1218 CA THR A 79 -1.254 12.487 -9.089 1.00 0.00 C ATOM 1219 C THR A 79 -0.221 11.410 -9.430 1.00 0.00 C ATOM 1220 O THR A 79 -0.165 10.925 -10.544 1.00 0.00 O ATOM 1221 CB THR A 79 -0.572 13.859 -9.054 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.133 14.065 -10.270 1.00 0.00 O ATOM 1223 CG2 THR A 79 0.406 13.920 -7.879 1.00 0.00 C ATOM 0 H THR A 79 -1.191 12.011 -7.010 1.00 0.00 H new ATOM 0 HA THR A 79 -2.036 12.491 -9.848 1.00 0.00 H new ATOM 0 HB THR A 79 -1.327 14.636 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.569 14.943 -10.251 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.889 14.897 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.136 13.762 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.163 13.144 -7.995 1.00 0.00 H new