USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 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 39 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 HIS : no HE2:sc= -4.5! C(o=-2.6!,f=-10!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -134:sc= 1.88 (180deg=0.0488) USER MOD Single : A 16 THR OG1 : rot 79:sc= -1.29! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.088) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2.64 X(o=-2.6,f=-3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.11) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.679 X(o=-0.68,f=-0.98!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 32:sc= 0.654 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -3.49 K(o=-3.5,f=-4.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.326) 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 USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= -0.0409 (180deg=-0.3) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.611 -3.755 -8.869 1.00 0.00 N ATOM 184 CA GLY A 13 -0.266 -4.383 -8.704 1.00 0.00 C ATOM 185 C GLY A 13 0.840 -3.318 -8.735 1.00 0.00 C ATOM 186 O GLY A 13 2.009 -3.640 -8.633 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.227 -4.927 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.099 -5.110 -9.498 1.00 0.00 H new ATOM 190 N GLY A 14 0.493 -2.056 -8.872 1.00 0.00 N ATOM 191 CA GLY A 14 1.538 -0.993 -8.907 1.00 0.00 C ATOM 192 C GLY A 14 1.783 -0.493 -7.487 1.00 0.00 C ATOM 193 O GLY A 14 2.893 -0.162 -7.113 1.00 0.00 O ATOM 0 H GLY A 14 -0.467 -1.723 -8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.461 -1.386 -9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.217 -0.170 -9.546 1.00 0.00 H new ATOM 197 N ILE A 15 0.745 -0.443 -6.695 1.00 0.00 N ATOM 198 CA ILE A 15 0.891 0.029 -5.292 1.00 0.00 C ATOM 199 C ILE A 15 1.563 -1.063 -4.470 1.00 0.00 C ATOM 200 O ILE A 15 2.595 -0.854 -3.862 1.00 0.00 O ATOM 201 CB ILE A 15 -0.482 0.305 -4.681 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.342 1.158 -5.620 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.302 1.047 -3.360 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.812 0.771 -5.438 1.00 0.00 C ATOM 0 H ILE A 15 -0.202 -0.711 -6.964 1.00 0.00 H new ATOM 0 HA ILE A 15 1.486 0.943 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.985 -0.648 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.201 2.217 -5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.037 1.003 -6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.279 1.247 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.287 0.435 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.215 1.990 -3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.432 1.373 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.943 -0.284 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.110 0.948 -4.405 1.00 0.00 H new ATOM 216 N THR A 16 0.969 -2.231 -4.441 1.00 0.00 N ATOM 217 CA THR A 16 1.545 -3.356 -3.650 1.00 0.00 C ATOM 218 C THR A 16 2.987 -3.625 -4.096 1.00 0.00 C ATOM 219 O THR A 16 3.819 -4.041 -3.313 1.00 0.00 O ATOM 220 CB THR A 16 0.702 -4.618 -3.856 1.00 0.00 C ATOM 221 OG1 THR A 16 1.330 -5.715 -3.204 1.00 0.00 O ATOM 222 CG2 THR A 16 0.568 -4.920 -5.350 1.00 0.00 C ATOM 0 H THR A 16 0.105 -2.452 -4.935 1.00 0.00 H new ATOM 0 HA THR A 16 1.541 -3.085 -2.594 1.00 0.00 H new ATOM 0 HB THR A 16 -0.291 -4.459 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.143 -5.675 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.033 -5.819 -5.487 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.084 -4.080 -5.849 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.557 -5.076 -5.780 1.00 0.00 H new ATOM 230 N ASP A 17 3.284 -3.380 -5.348 1.00 0.00 N ATOM 231 CA ASP A 17 4.671 -3.608 -5.852 1.00 0.00 C ATOM 232 C ASP A 17 5.627 -2.665 -5.119 1.00 0.00 C ATOM 233 O ASP A 17 6.771 -2.995 -4.870 1.00 0.00 O ATOM 234 CB ASP A 17 4.723 -3.324 -7.354 1.00 0.00 C ATOM 235 CG ASP A 17 4.525 -4.629 -8.127 1.00 0.00 C ATOM 236 OD1 ASP A 17 3.636 -5.381 -7.764 1.00 0.00 O ATOM 237 OD2 ASP A 17 5.267 -4.855 -9.069 1.00 0.00 O ATOM 0 H ASP A 17 2.624 -3.031 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 17 4.964 -4.643 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.949 -2.607 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.681 -2.875 -7.617 1.00 0.00 H new ATOM 242 N MET A 18 5.156 -1.496 -4.768 1.00 0.00 N ATOM 243 CA MET A 18 6.019 -0.520 -4.040 1.00 0.00 C ATOM 244 C MET A 18 5.910 -0.752 -2.526 1.00 0.00 C ATOM 245 O MET A 18 6.754 -0.313 -1.766 1.00 0.00 O ATOM 246 CB MET A 18 5.564 0.904 -4.370 1.00 0.00 C ATOM 247 CG MET A 18 6.207 1.355 -5.683 1.00 0.00 C ATOM 248 SD MET A 18 7.817 2.107 -5.339 1.00 0.00 S ATOM 249 CE MET A 18 7.285 3.834 -5.426 1.00 0.00 C ATOM 0 H MET A 18 4.206 -1.175 -4.956 1.00 0.00 H new ATOM 0 HA MET A 18 7.055 -0.657 -4.349 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.478 0.940 -4.454 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.844 1.582 -3.564 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.327 0.504 -6.353 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.560 2.071 -6.190 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.138 4.487 -5.240 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.879 4.040 -6.416 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.518 4.017 -4.674 1.00 0.00 H new ATOM 259 N LEU A 19 4.887 -1.449 -2.083 1.00 0.00 N ATOM 260 CA LEU A 19 4.735 -1.715 -0.624 1.00 0.00 C ATOM 261 C LEU A 19 5.509 -2.982 -0.282 1.00 0.00 C ATOM 262 O LEU A 19 6.089 -3.107 0.778 1.00 0.00 O ATOM 263 CB LEU A 19 3.252 -1.924 -0.291 1.00 0.00 C ATOM 264 CG LEU A 19 2.545 -0.566 -0.148 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.240 -0.576 -0.949 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.222 -0.306 1.326 1.00 0.00 C ATOM 0 H LEU A 19 4.154 -1.843 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 19 5.116 -0.871 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.774 -2.510 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.156 -2.492 0.634 1.00 0.00 H new ATOM 0 HG LEU A 19 3.202 0.218 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.742 0.388 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.460 -0.759 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.588 -1.364 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.721 0.657 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.569 -1.095 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.146 -0.295 1.904 1.00 0.00 H new ATOM 278 N VAL A 20 5.516 -3.921 -1.189 1.00 0.00 N ATOM 279 CA VAL A 20 6.244 -5.196 -0.959 1.00 0.00 C ATOM 280 C VAL A 20 7.741 -4.973 -1.197 1.00 0.00 C ATOM 281 O VAL A 20 8.576 -5.615 -0.587 1.00 0.00 O ATOM 282 CB VAL A 20 5.714 -6.249 -1.932 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.386 -7.590 -1.655 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.200 -6.397 -1.753 1.00 0.00 C ATOM 0 H VAL A 20 5.042 -3.855 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 20 6.092 -5.536 0.065 1.00 0.00 H new ATOM 0 HB VAL A 20 5.934 -5.936 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.006 -8.338 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.464 -7.490 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.169 -7.901 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.823 -7.148 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.983 -6.707 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.715 -5.442 -1.953 1.00 0.00 H new ATOM 294 N GLU A 21 8.080 -4.071 -2.082 1.00 0.00 N ATOM 295 CA GLU A 21 9.518 -3.801 -2.370 1.00 0.00 C ATOM 296 C GLU A 21 10.161 -3.105 -1.169 1.00 0.00 C ATOM 297 O GLU A 21 11.105 -3.608 -0.583 1.00 0.00 O ATOM 298 CB GLU A 21 9.632 -2.898 -3.601 1.00 0.00 C ATOM 299 CG GLU A 21 11.098 -2.792 -4.023 1.00 0.00 C ATOM 300 CD GLU A 21 11.278 -1.586 -4.948 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.749 -1.623 -6.047 1.00 0.00 O ATOM 302 OE2 GLU A 21 11.940 -0.646 -4.542 1.00 0.00 O ATOM 0 H GLU A 21 7.419 -3.509 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 21 10.031 -4.744 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.036 -3.303 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.235 -1.908 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.734 -2.687 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.407 -3.704 -4.533 1.00 0.00 H new ATOM 309 N LEU A 22 9.660 -1.952 -0.793 1.00 0.00 N ATOM 310 CA LEU A 22 10.248 -1.232 0.372 1.00 0.00 C ATOM 311 C LEU A 22 10.062 -2.085 1.634 1.00 0.00 C ATOM 312 O LEU A 22 10.890 -2.085 2.524 1.00 0.00 O ATOM 313 CB LEU A 22 9.578 0.150 0.530 1.00 0.00 C ATOM 314 CG LEU A 22 8.149 0.016 1.081 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.191 -0.015 2.615 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.309 1.210 0.621 1.00 0.00 C ATOM 0 H LEU A 22 8.873 -1.484 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 22 11.314 -1.071 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.172 0.771 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.552 0.657 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 22 7.704 -0.907 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.178 -0.110 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.788 -0.865 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.637 0.908 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.296 1.114 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.755 2.133 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.277 1.234 -0.468 1.00 0.00 H new ATOM 328 N ALA A 23 8.971 -2.815 1.711 1.00 0.00 N ATOM 329 CA ALA A 23 8.708 -3.679 2.906 1.00 0.00 C ATOM 330 C ALA A 23 9.924 -4.572 3.170 1.00 0.00 C ATOM 331 O ALA A 23 10.342 -4.749 4.298 1.00 0.00 O ATOM 332 CB ALA A 23 7.481 -4.555 2.644 1.00 0.00 C ATOM 0 H ALA A 23 8.248 -2.848 0.992 1.00 0.00 H new ATOM 0 HA ALA A 23 8.525 -3.047 3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.290 -5.183 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.614 -3.921 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.663 -5.186 1.774 1.00 0.00 H new ATOM 338 N ASN A 24 10.506 -5.110 2.126 1.00 0.00 N ATOM 339 CA ASN A 24 11.713 -5.966 2.298 1.00 0.00 C ATOM 340 C ASN A 24 12.838 -5.089 2.845 1.00 0.00 C ATOM 341 O ASN A 24 13.617 -5.503 3.682 1.00 0.00 O ATOM 342 CB ASN A 24 12.123 -6.550 0.943 1.00 0.00 C ATOM 343 CG ASN A 24 11.586 -7.978 0.816 1.00 0.00 C ATOM 344 OD1 ASN A 24 10.970 -8.321 -0.174 1.00 0.00 O ATOM 345 ND2 ASN A 24 11.794 -8.828 1.783 1.00 0.00 N ATOM 0 H ASN A 24 10.194 -4.991 1.162 1.00 0.00 H new ATOM 0 HA ASN A 24 11.506 -6.787 2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.733 -5.931 0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.209 -6.549 0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.440 -9.782 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.311 -8.539 2.613 1.00 0.00 H new ATOM 352 N PHE A 25 12.904 -3.866 2.384 1.00 0.00 N ATOM 353 CA PHE A 25 13.953 -2.924 2.876 1.00 0.00 C ATOM 354 C PHE A 25 13.747 -2.665 4.367 1.00 0.00 C ATOM 355 O PHE A 25 14.671 -2.310 5.072 1.00 0.00 O ATOM 356 CB PHE A 25 13.844 -1.606 2.107 1.00 0.00 C ATOM 357 CG PHE A 25 15.022 -0.724 2.440 1.00 0.00 C ATOM 358 CD1 PHE A 25 14.986 0.091 3.578 1.00 0.00 C ATOM 359 CD2 PHE A 25 16.149 -0.720 1.611 1.00 0.00 C ATOM 360 CE1 PHE A 25 16.079 0.910 3.886 1.00 0.00 C ATOM 361 CE2 PHE A 25 17.241 0.099 1.919 1.00 0.00 C ATOM 362 CZ PHE A 25 17.207 0.914 3.057 1.00 0.00 C ATOM 0 H PHE A 25 12.272 -3.478 1.684 1.00 0.00 H new ATOM 0 HA PHE A 25 14.940 -3.359 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.815 -1.801 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.914 -1.099 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.116 0.088 4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.176 -1.349 0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.052 1.539 4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.111 0.102 1.279 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.050 1.545 3.295 1.00 0.00 H new ATOM 372 N GLU A 26 12.545 -2.841 4.853 1.00 0.00 N ATOM 373 CA GLU A 26 12.278 -2.613 6.299 1.00 0.00 C ATOM 374 C GLU A 26 12.871 -3.771 7.102 1.00 0.00 C ATOM 375 O GLU A 26 13.762 -3.593 7.909 1.00 0.00 O ATOM 376 CB GLU A 26 10.763 -2.556 6.523 1.00 0.00 C ATOM 377 CG GLU A 26 10.335 -1.107 6.722 1.00 0.00 C ATOM 378 CD GLU A 26 9.980 -0.483 5.373 1.00 0.00 C ATOM 379 OE1 GLU A 26 10.802 -0.550 4.476 1.00 0.00 O ATOM 380 OE2 GLU A 26 8.892 0.055 5.262 1.00 0.00 O ATOM 0 H GLU A 26 11.736 -3.134 4.306 1.00 0.00 H new ATOM 0 HA GLU A 26 12.730 -1.675 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.241 -2.987 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.491 -3.150 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.476 -1.060 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.139 -0.542 7.194 1.00 0.00 H new ATOM 387 N LYS A 27 12.373 -4.953 6.877 1.00 0.00 N ATOM 388 CA LYS A 27 12.885 -6.149 7.612 1.00 0.00 C ATOM 389 C LYS A 27 14.365 -6.360 7.283 1.00 0.00 C ATOM 390 O LYS A 27 15.164 -6.656 8.150 1.00 0.00 O ATOM 391 CB LYS A 27 12.087 -7.386 7.195 1.00 0.00 C ATOM 392 CG LYS A 27 12.506 -8.579 8.056 1.00 0.00 C ATOM 393 CD LYS A 27 12.416 -9.863 7.229 1.00 0.00 C ATOM 394 CE LYS A 27 12.185 -11.055 8.160 1.00 0.00 C ATOM 395 NZ LYS A 27 12.405 -12.322 7.407 1.00 0.00 N ATOM 0 H LYS A 27 11.626 -5.147 6.210 1.00 0.00 H new ATOM 0 HA LYS A 27 12.773 -5.989 8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.019 -7.199 7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.261 -7.606 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.524 -8.439 8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.862 -8.652 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.602 -9.788 6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.334 -10.006 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.864 -11.002 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.171 -11.028 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.248 -13.133 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.740 -12.371 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.380 -12.347 7.047 1.00 0.00 H new ATOM 409 N ASN A 28 14.736 -6.204 6.034 1.00 0.00 N ATOM 410 CA ASN A 28 16.169 -6.387 5.641 1.00 0.00 C ATOM 411 C ASN A 28 17.057 -5.428 6.445 1.00 0.00 C ATOM 412 O ASN A 28 18.233 -5.672 6.636 1.00 0.00 O ATOM 413 CB ASN A 28 16.328 -6.095 4.147 1.00 0.00 C ATOM 414 CG ASN A 28 15.717 -7.238 3.335 1.00 0.00 C ATOM 415 OD1 ASN A 28 15.701 -8.370 3.774 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.207 -6.987 2.160 1.00 0.00 N ATOM 0 H ASN A 28 14.107 -5.958 5.270 1.00 0.00 H new ATOM 0 HA ASN A 28 16.470 -7.414 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.838 -5.154 3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.383 -5.982 3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.795 -7.742 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.220 -6.036 1.791 1.00 0.00 H new ATOM 423 N VAL A 29 16.495 -4.345 6.923 1.00 0.00 N ATOM 424 CA VAL A 29 17.288 -3.370 7.722 1.00 0.00 C ATOM 425 C VAL A 29 17.202 -3.776 9.202 1.00 0.00 C ATOM 426 O VAL A 29 16.380 -4.588 9.584 1.00 0.00 O ATOM 427 CB VAL A 29 16.718 -1.958 7.486 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.298 -0.952 8.490 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.084 -1.507 6.070 1.00 0.00 C ATOM 0 H VAL A 29 15.515 -4.096 6.791 1.00 0.00 H new ATOM 0 HA VAL A 29 18.336 -3.367 7.423 1.00 0.00 H new ATOM 0 HB VAL A 29 15.636 -1.995 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.878 0.036 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.047 -1.264 9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.382 -0.913 8.381 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.685 -0.508 5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.169 -1.489 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.659 -2.202 5.346 1.00 0.00 H new ATOM 439 N SER A 30 18.061 -3.234 10.027 1.00 0.00 N ATOM 440 CA SER A 30 18.057 -3.602 11.475 1.00 0.00 C ATOM 441 C SER A 30 16.895 -2.927 12.213 1.00 0.00 C ATOM 442 O SER A 30 15.961 -3.581 12.638 1.00 0.00 O ATOM 443 CB SER A 30 19.376 -3.161 12.106 1.00 0.00 C ATOM 444 OG SER A 30 19.384 -3.523 13.481 1.00 0.00 O ATOM 0 H SER A 30 18.768 -2.549 9.759 1.00 0.00 H new ATOM 0 HA SER A 30 17.937 -4.682 11.558 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.214 -3.630 11.590 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.500 -2.083 12.001 1.00 0.00 H new ATOM 0 HG SER A 30 20.230 -3.243 13.888 1.00 0.00 H new ATOM 450 N GLN A 31 16.958 -1.632 12.392 1.00 0.00 N ATOM 451 CA GLN A 31 15.874 -0.918 13.133 1.00 0.00 C ATOM 452 C GLN A 31 14.758 -0.483 12.174 1.00 0.00 C ATOM 453 O GLN A 31 14.543 0.696 11.950 1.00 0.00 O ATOM 454 CB GLN A 31 16.465 0.311 13.829 1.00 0.00 C ATOM 455 CG GLN A 31 15.458 0.860 14.842 1.00 0.00 C ATOM 456 CD GLN A 31 15.427 -0.046 16.074 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.263 0.069 16.948 1.00 0.00 O ATOM 458 NE2 GLN A 31 14.493 -0.951 16.181 1.00 0.00 N ATOM 0 H GLN A 31 17.715 -1.037 12.056 1.00 0.00 H new ATOM 0 HA GLN A 31 15.447 -1.594 13.874 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.394 0.045 14.332 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.709 1.076 13.092 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.733 1.875 15.131 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.467 0.914 14.392 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.791 -1.048 15.448 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.465 -1.561 16.998 1.00 0.00 H new ATOM 467 N ALA A 32 14.033 -1.423 11.621 1.00 0.00 N ATOM 468 CA ALA A 32 12.920 -1.064 10.693 1.00 0.00 C ATOM 469 C ALA A 32 11.833 -2.141 10.751 1.00 0.00 C ATOM 470 O ALA A 32 11.249 -2.499 9.745 1.00 0.00 O ATOM 471 CB ALA A 32 13.453 -0.944 9.267 1.00 0.00 C ATOM 0 H ALA A 32 14.165 -2.423 11.773 1.00 0.00 H new ATOM 0 HA ALA A 32 12.495 -0.107 10.996 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.636 -0.682 8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.218 -0.168 9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.886 -1.896 8.959 1.00 0.00 H new ATOM 477 N ILE A 33 11.560 -2.658 11.922 1.00 0.00 N ATOM 478 CA ILE A 33 10.511 -3.712 12.056 1.00 0.00 C ATOM 479 C ILE A 33 9.139 -3.049 12.289 1.00 0.00 C ATOM 480 O ILE A 33 8.114 -3.618 11.975 1.00 0.00 O ATOM 481 CB ILE A 33 10.928 -4.689 13.201 1.00 0.00 C ATOM 482 CG1 ILE A 33 11.027 -6.120 12.647 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.942 -4.684 14.383 1.00 0.00 C ATOM 484 CD1 ILE A 33 12.051 -6.172 11.509 1.00 0.00 C ATOM 0 H ILE A 33 12.020 -2.394 12.793 1.00 0.00 H new ATOM 0 HA ILE A 33 10.420 -4.299 11.142 1.00 0.00 H new ATOM 0 HB ILE A 33 11.893 -4.344 13.573 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.319 -6.807 13.441 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.052 -6.447 12.285 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.285 -5.382 15.146 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.887 -3.681 14.807 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.954 -4.985 14.034 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.114 -7.189 11.123 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.741 -5.499 10.710 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.027 -5.865 11.884 1.00 0.00 H new ATOM 496 N HIS A 34 9.120 -1.858 12.832 1.00 0.00 N ATOM 497 CA HIS A 34 7.809 -1.165 13.070 1.00 0.00 C ATOM 498 C HIS A 34 7.214 -0.762 11.718 1.00 0.00 C ATOM 499 O HIS A 34 6.078 -1.084 11.409 1.00 0.00 O ATOM 500 CB HIS A 34 7.973 0.083 13.968 1.00 0.00 C ATOM 501 CG HIS A 34 9.259 0.812 13.669 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.454 0.475 14.286 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.556 1.847 12.820 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.404 1.290 13.800 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.911 2.149 12.906 1.00 0.00 N ATOM 0 H HIS A 34 9.947 -1.335 13.120 1.00 0.00 H new ATOM 0 HA HIS A 34 7.142 -1.853 13.590 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.128 0.755 13.817 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.958 -0.217 15.016 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.587 -0.258 14.982 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.846 2.351 12.181 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.442 1.254 14.097 1.00 0.00 H new ATOM 513 N LYS A 35 7.979 -0.086 10.897 1.00 0.00 N ATOM 514 CA LYS A 35 7.461 0.309 9.554 1.00 0.00 C ATOM 515 C LYS A 35 7.323 -0.946 8.679 1.00 0.00 C ATOM 516 O LYS A 35 6.599 -0.951 7.704 1.00 0.00 O ATOM 517 CB LYS A 35 8.411 1.314 8.888 1.00 0.00 C ATOM 518 CG LYS A 35 9.861 0.818 8.963 1.00 0.00 C ATOM 519 CD LYS A 35 10.622 1.575 10.060 1.00 0.00 C ATOM 520 CE LYS A 35 11.953 2.096 9.508 1.00 0.00 C ATOM 521 NZ LYS A 35 12.834 2.511 10.637 1.00 0.00 N ATOM 0 H LYS A 35 8.935 0.207 11.099 1.00 0.00 H new ATOM 0 HA LYS A 35 6.487 0.784 9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.124 1.459 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.327 2.283 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.877 -0.252 9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.353 0.964 8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.019 2.407 10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.804 0.916 10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.442 1.321 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.776 2.940 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.256 3.438 10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.272 2.578 11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.589 1.808 10.765 1.00 0.00 H new ATOM 535 N TYR A 36 7.999 -2.020 9.033 1.00 0.00 N ATOM 536 CA TYR A 36 7.899 -3.285 8.242 1.00 0.00 C ATOM 537 C TYR A 36 6.429 -3.723 8.173 1.00 0.00 C ATOM 538 O TYR A 36 5.865 -3.868 7.106 1.00 0.00 O ATOM 539 CB TYR A 36 8.734 -4.367 8.941 1.00 0.00 C ATOM 540 CG TYR A 36 8.670 -5.665 8.170 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.949 -5.686 6.798 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.333 -6.851 8.833 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.889 -6.892 6.090 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.274 -8.057 8.127 1.00 0.00 C ATOM 545 CZ TYR A 36 8.551 -8.077 6.754 1.00 0.00 C ATOM 546 OH TYR A 36 8.494 -9.267 6.056 1.00 0.00 O ATOM 0 H TYR A 36 8.618 -2.070 9.842 1.00 0.00 H new ATOM 0 HA TYR A 36 8.272 -3.130 7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.770 -4.038 9.025 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.365 -4.521 9.955 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.210 -4.772 6.286 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.118 -6.835 9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.103 -6.908 5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 36 8.015 -8.972 8.640 1.00 0.00 H new ATOM 0 HH TYR A 36 8.246 -9.993 6.666 1.00 0.00 H new ATOM 556 N ASN A 37 5.811 -3.922 9.309 1.00 0.00 N ATOM 557 CA ASN A 37 4.376 -4.336 9.332 1.00 0.00 C ATOM 558 C ASN A 37 3.524 -3.262 8.650 1.00 0.00 C ATOM 559 O ASN A 37 2.469 -3.545 8.114 1.00 0.00 O ATOM 560 CB ASN A 37 3.917 -4.508 10.781 1.00 0.00 C ATOM 561 CG ASN A 37 2.615 -5.310 10.814 1.00 0.00 C ATOM 562 OD1 ASN A 37 1.700 -5.035 10.062 1.00 0.00 O ATOM 563 ND2 ASN A 37 2.491 -6.296 11.658 1.00 0.00 N ATOM 0 H ASN A 37 6.242 -3.815 10.227 1.00 0.00 H new ATOM 0 HA ASN A 37 4.262 -5.281 8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.686 -5.020 11.359 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.767 -3.533 11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.627 -6.837 11.687 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.259 -6.527 12.289 1.00 0.00 H new ATOM 570 N ALA A 38 3.978 -2.028 8.659 1.00 0.00 N ATOM 571 CA ALA A 38 3.205 -0.925 8.002 1.00 0.00 C ATOM 572 C ALA A 38 2.897 -1.289 6.545 1.00 0.00 C ATOM 573 O ALA A 38 1.754 -1.449 6.161 1.00 0.00 O ATOM 574 CB ALA A 38 4.044 0.357 8.019 1.00 0.00 C ATOM 0 H ALA A 38 4.853 -1.738 9.095 1.00 0.00 H new ATOM 0 HA ALA A 38 2.271 -0.777 8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.486 1.163 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.268 0.631 9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.975 0.190 7.477 1.00 0.00 H new ATOM 580 N TYR A 39 3.915 -1.410 5.739 1.00 0.00 N ATOM 581 CA TYR A 39 3.709 -1.744 4.299 1.00 0.00 C ATOM 582 C TYR A 39 3.323 -3.218 4.150 1.00 0.00 C ATOM 583 O TYR A 39 2.677 -3.600 3.192 1.00 0.00 O ATOM 584 CB TYR A 39 5.001 -1.464 3.528 1.00 0.00 C ATOM 585 CG TYR A 39 5.410 -0.022 3.736 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.200 0.333 4.838 1.00 0.00 C ATOM 587 CD2 TYR A 39 5.002 0.961 2.827 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.578 1.665 5.032 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.380 2.295 3.020 1.00 0.00 C ATOM 590 CZ TYR A 39 6.168 2.647 4.124 1.00 0.00 C ATOM 591 OH TYR A 39 6.541 3.962 4.314 1.00 0.00 O ATOM 0 H TYR A 39 4.889 -1.291 6.017 1.00 0.00 H new ATOM 0 HA TYR A 39 2.903 -1.130 3.897 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.793 -2.131 3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.854 -1.662 2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.518 -0.424 5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.395 0.690 1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.186 1.936 5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.064 3.053 2.318 1.00 0.00 H new ATOM 0 HH TYR A 39 7.406 3.994 4.773 1.00 0.00 H new ATOM 601 N ARG A 40 3.707 -4.048 5.088 1.00 0.00 N ATOM 602 CA ARG A 40 3.357 -5.497 4.998 1.00 0.00 C ATOM 603 C ARG A 40 1.835 -5.655 5.056 1.00 0.00 C ATOM 604 O ARG A 40 1.244 -6.357 4.255 1.00 0.00 O ATOM 605 CB ARG A 40 3.993 -6.249 6.169 1.00 0.00 C ATOM 606 CG ARG A 40 3.859 -7.757 5.941 1.00 0.00 C ATOM 607 CD ARG A 40 4.750 -8.177 4.770 1.00 0.00 C ATOM 608 NE ARG A 40 4.947 -9.660 4.801 1.00 0.00 N ATOM 609 CZ ARG A 40 5.437 -10.311 3.765 1.00 0.00 C ATOM 610 NH1 ARG A 40 5.773 -9.688 2.658 1.00 0.00 N ATOM 611 NH2 ARG A 40 5.590 -11.604 3.839 1.00 0.00 N ATOM 0 H ARG A 40 4.248 -3.784 5.912 1.00 0.00 H new ATOM 0 HA ARG A 40 3.731 -5.905 4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.044 -5.977 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.507 -5.967 7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.145 -8.299 6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.820 -8.013 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.293 -7.880 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.713 -7.670 4.831 1.00 0.00 H new ATOM 0 HE ARG A 40 4.696 -10.179 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.657 -8.677 2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.150 -10.215 1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.331 -12.100 4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.968 -12.119 3.044 1.00 0.00 H new ATOM 625 N LYS A 41 1.200 -5.004 5.996 1.00 0.00 N ATOM 626 CA LYS A 41 -0.284 -5.107 6.118 1.00 0.00 C ATOM 627 C LYS A 41 -0.945 -4.398 4.933 1.00 0.00 C ATOM 628 O LYS A 41 -1.810 -4.948 4.276 1.00 0.00 O ATOM 629 CB LYS A 41 -0.734 -4.448 7.423 1.00 0.00 C ATOM 630 CG LYS A 41 -1.940 -5.201 7.987 1.00 0.00 C ATOM 631 CD LYS A 41 -2.443 -4.491 9.246 1.00 0.00 C ATOM 632 CE LYS A 41 -3.027 -5.521 10.215 1.00 0.00 C ATOM 633 NZ LYS A 41 -2.836 -5.049 11.615 1.00 0.00 N ATOM 0 H LYS A 41 1.648 -4.403 6.687 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.577 -6.157 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.082 -4.454 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.994 -3.405 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.734 -5.248 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.663 -6.229 8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.625 -3.951 9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.201 -3.754 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.088 -5.668 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.539 -6.486 10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.233 -5.749 12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.821 -4.930 11.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.321 -4.138 11.744 1.00 0.00 H new ATOM 647 N ALA A 42 -0.546 -3.181 4.658 1.00 0.00 N ATOM 648 CA ALA A 42 -1.148 -2.429 3.517 1.00 0.00 C ATOM 649 C ALA A 42 -0.866 -3.165 2.204 1.00 0.00 C ATOM 650 O ALA A 42 -1.614 -3.056 1.250 1.00 0.00 O ATOM 651 CB ALA A 42 -0.541 -1.025 3.452 1.00 0.00 C ATOM 0 H ALA A 42 0.173 -2.676 5.177 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.225 -2.355 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.981 -0.477 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.746 -0.496 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.537 -1.101 3.308 1.00 0.00 H new ATOM 657 N ALA A 43 0.210 -3.911 2.148 1.00 0.00 N ATOM 658 CA ALA A 43 0.548 -4.654 0.899 1.00 0.00 C ATOM 659 C ALA A 43 -0.409 -5.835 0.719 1.00 0.00 C ATOM 660 O ALA A 43 -0.670 -6.264 -0.388 1.00 0.00 O ATOM 661 CB ALA A 43 1.983 -5.177 0.991 1.00 0.00 C ATOM 0 H ALA A 43 0.869 -4.036 2.916 1.00 0.00 H new ATOM 0 HA ALA A 43 0.454 -3.981 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.231 -5.720 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.669 -4.338 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.072 -5.846 1.847 1.00 0.00 H new ATOM 667 N SER A 44 -0.924 -6.369 1.798 1.00 0.00 N ATOM 668 CA SER A 44 -1.857 -7.530 1.691 1.00 0.00 C ATOM 669 C SER A 44 -3.286 -7.039 1.439 1.00 0.00 C ATOM 670 O SER A 44 -3.983 -7.552 0.585 1.00 0.00 O ATOM 671 CB SER A 44 -1.819 -8.332 2.992 1.00 0.00 C ATOM 672 OG SER A 44 -1.622 -7.444 4.085 1.00 0.00 O ATOM 0 H SER A 44 -0.738 -6.050 2.749 1.00 0.00 H new ATOM 0 HA SER A 44 -1.546 -8.160 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.750 -8.884 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.015 -9.067 2.956 1.00 0.00 H new ATOM 0 HG SER A 44 -2.049 -6.584 3.889 1.00 0.00 H new ATOM 678 N VAL A 45 -3.728 -6.058 2.183 1.00 0.00 N ATOM 679 CA VAL A 45 -5.116 -5.537 2.003 1.00 0.00 C ATOM 680 C VAL A 45 -5.269 -4.912 0.607 1.00 0.00 C ATOM 681 O VAL A 45 -6.317 -5.000 -0.003 1.00 0.00 O ATOM 682 CB VAL A 45 -5.402 -4.486 3.089 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.396 -3.338 2.975 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.823 -3.934 2.928 1.00 0.00 C ATOM 0 H VAL A 45 -3.185 -5.593 2.911 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.828 -6.357 2.093 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.309 -4.958 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.602 -2.596 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.386 -3.725 3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.483 -2.874 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.015 -3.191 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.924 -3.470 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.542 -4.748 3.021 1.00 0.00 H new ATOM 694 N ILE A 46 -4.239 -4.277 0.108 1.00 0.00 N ATOM 695 CA ILE A 46 -4.331 -3.637 -1.238 1.00 0.00 C ATOM 696 C ILE A 46 -4.046 -4.674 -2.331 1.00 0.00 C ATOM 697 O ILE A 46 -4.653 -4.652 -3.385 1.00 0.00 O ATOM 698 CB ILE A 46 -3.319 -2.492 -1.325 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.573 -1.511 -0.175 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.480 -1.760 -2.659 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.485 -0.435 -0.161 1.00 0.00 C ATOM 0 H ILE A 46 -3.338 -4.174 0.575 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.336 -3.242 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.308 -2.894 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.553 -1.048 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.581 -2.045 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.758 -0.946 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.308 -2.457 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.489 -1.355 -2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.671 0.259 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.511 -0.904 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.498 0.108 -1.106 1.00 0.00 H new ATOM 713 N ALA A 47 -3.130 -5.578 -2.090 1.00 0.00 N ATOM 714 CA ALA A 47 -2.807 -6.614 -3.117 1.00 0.00 C ATOM 715 C ALA A 47 -3.815 -7.770 -3.040 1.00 0.00 C ATOM 716 O ALA A 47 -3.968 -8.523 -3.983 1.00 0.00 O ATOM 717 CB ALA A 47 -1.398 -7.156 -2.870 1.00 0.00 C ATOM 0 H ALA A 47 -2.592 -5.643 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.860 -6.159 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.162 -7.912 -3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.678 -6.341 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.349 -7.602 -1.877 1.00 0.00 H new ATOM 723 N LYS A 48 -4.501 -7.918 -1.931 1.00 0.00 N ATOM 724 CA LYS A 48 -5.494 -9.026 -1.805 1.00 0.00 C ATOM 725 C LYS A 48 -6.917 -8.471 -1.925 1.00 0.00 C ATOM 726 O LYS A 48 -7.867 -9.088 -1.482 1.00 0.00 O ATOM 727 CB LYS A 48 -5.327 -9.708 -0.445 1.00 0.00 C ATOM 728 CG LYS A 48 -5.844 -11.147 -0.527 1.00 0.00 C ATOM 729 CD LYS A 48 -4.995 -12.048 0.370 1.00 0.00 C ATOM 730 CE LYS A 48 -4.917 -13.448 -0.240 1.00 0.00 C ATOM 731 NZ LYS A 48 -3.689 -14.137 0.251 1.00 0.00 N ATOM 0 H LYS A 48 -4.414 -7.319 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.324 -9.750 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.277 -9.704 -0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.874 -9.157 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.888 -11.187 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.804 -11.501 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.994 -11.631 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.430 -12.099 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.802 -14.024 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.899 -13.382 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.636 -15.089 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.849 -13.590 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.724 -14.213 1.288 1.00 0.00 H new ATOM 745 N TYR A 49 -7.072 -7.314 -2.522 1.00 0.00 N ATOM 746 CA TYR A 49 -8.431 -6.721 -2.674 1.00 0.00 C ATOM 747 C TYR A 49 -9.001 -7.118 -4.048 1.00 0.00 C ATOM 748 O TYR A 49 -8.269 -7.143 -5.018 1.00 0.00 O ATOM 749 CB TYR A 49 -8.318 -5.194 -2.584 1.00 0.00 C ATOM 750 CG TYR A 49 -9.641 -4.593 -2.157 1.00 0.00 C ATOM 751 CD1 TYR A 49 -10.318 -5.102 -1.041 1.00 0.00 C ATOM 752 CD2 TYR A 49 -10.185 -3.520 -2.874 1.00 0.00 C ATOM 753 CE1 TYR A 49 -11.538 -4.542 -0.645 1.00 0.00 C ATOM 754 CE2 TYR A 49 -11.405 -2.960 -2.476 1.00 0.00 C ATOM 755 CZ TYR A 49 -12.081 -3.470 -1.362 1.00 0.00 C ATOM 756 OH TYR A 49 -13.283 -2.917 -0.971 1.00 0.00 O ATOM 0 H TYR A 49 -6.312 -6.756 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.092 -7.086 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.540 -4.922 -1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.021 -4.787 -3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.898 -5.928 -0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.664 -3.125 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.060 -4.937 0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.825 -2.133 -3.030 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.517 -2.182 -1.575 1.00 0.00 H new ATOM 766 N PRO A 50 -10.288 -7.421 -4.113 1.00 0.00 N ATOM 767 CA PRO A 50 -10.968 -7.821 -5.384 1.00 0.00 C ATOM 768 C PRO A 50 -11.448 -6.591 -6.163 1.00 0.00 C ATOM 769 O PRO A 50 -12.188 -6.717 -7.123 1.00 0.00 O ATOM 770 CB PRO A 50 -12.156 -8.644 -4.903 1.00 0.00 C ATOM 771 CG PRO A 50 -12.462 -8.209 -3.480 1.00 0.00 C ATOM 772 CD PRO A 50 -11.263 -7.412 -2.963 1.00 0.00 C ATOM 0 HA PRO A 50 -10.310 -8.366 -6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.020 -8.484 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.925 -9.709 -4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.365 -7.599 -3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.645 -9.077 -2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.548 -6.396 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.833 -7.872 -2.073 1.00 0.00 H new ATOM 780 N HIS A 51 -11.050 -5.406 -5.761 1.00 0.00 N ATOM 781 CA HIS A 51 -11.505 -4.182 -6.488 1.00 0.00 C ATOM 782 C HIS A 51 -10.404 -3.121 -6.442 1.00 0.00 C ATOM 783 O HIS A 51 -9.324 -3.358 -5.935 1.00 0.00 O ATOM 784 CB HIS A 51 -12.783 -3.638 -5.829 1.00 0.00 C ATOM 785 CG HIS A 51 -13.752 -4.770 -5.596 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.445 -5.376 -6.632 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.124 -5.437 -4.455 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.188 -6.363 -6.098 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.031 -6.442 -4.774 1.00 0.00 N ATOM 0 H HIS A 51 -10.434 -5.236 -4.966 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.717 -4.433 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.539 -3.154 -4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.239 -2.881 -6.466 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.766 -5.215 -3.460 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.833 -7.013 -6.671 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.480 -7.098 -4.135 1.00 0.00 H new ATOM 797 N LYS A 52 -10.669 -1.956 -6.977 1.00 0.00 N ATOM 798 CA LYS A 52 -9.640 -0.875 -6.975 1.00 0.00 C ATOM 799 C LYS A 52 -9.984 0.163 -5.905 1.00 0.00 C ATOM 800 O LYS A 52 -11.102 0.228 -5.428 1.00 0.00 O ATOM 801 CB LYS A 52 -9.608 -0.200 -8.348 1.00 0.00 C ATOM 802 CG LYS A 52 -9.116 -1.199 -9.397 1.00 0.00 C ATOM 803 CD LYS A 52 -9.603 -0.766 -10.781 1.00 0.00 C ATOM 804 CE LYS A 52 -11.072 -1.155 -10.951 1.00 0.00 C ATOM 805 NZ LYS A 52 -11.429 -1.131 -12.397 1.00 0.00 N ATOM 0 H LYS A 52 -11.556 -1.708 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.663 -1.307 -6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.603 0.160 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.951 0.669 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.027 -1.251 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.486 -2.198 -9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.485 0.311 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.999 -1.239 -11.555 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.246 -2.149 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.708 -0.465 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.428 -1.396 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.278 -0.174 -12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.830 -1.806 -12.914 1.00 0.00 H new ATOM 819 N ILE A 53 -9.030 0.976 -5.530 1.00 0.00 N ATOM 820 CA ILE A 53 -9.287 2.017 -4.492 1.00 0.00 C ATOM 821 C ILE A 53 -9.333 3.393 -5.160 1.00 0.00 C ATOM 822 O ILE A 53 -8.614 3.657 -6.105 1.00 0.00 O ATOM 823 CB ILE A 53 -8.166 1.990 -3.451 1.00 0.00 C ATOM 824 CG1 ILE A 53 -8.006 0.567 -2.908 1.00 0.00 C ATOM 825 CG2 ILE A 53 -8.513 2.936 -2.301 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.694 0.462 -2.130 1.00 0.00 C ATOM 0 H ILE A 53 -8.080 0.963 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.239 1.817 -4.000 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.233 2.309 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.846 0.317 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.012 -0.150 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.714 2.916 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.626 3.950 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.446 2.617 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.580 -0.551 -1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.859 0.694 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.706 1.168 -1.300 1.00 0.00 H new ATOM 838 N LYS A 54 -10.175 4.270 -4.674 1.00 0.00 N ATOM 839 CA LYS A 54 -10.276 5.632 -5.277 1.00 0.00 C ATOM 840 C LYS A 54 -9.323 6.587 -4.555 1.00 0.00 C ATOM 841 O LYS A 54 -8.391 7.105 -5.141 1.00 0.00 O ATOM 842 CB LYS A 54 -11.712 6.145 -5.140 1.00 0.00 C ATOM 843 CG LYS A 54 -12.000 7.159 -6.250 1.00 0.00 C ATOM 844 CD LYS A 54 -13.463 7.039 -6.683 1.00 0.00 C ATOM 845 CE LYS A 54 -13.579 7.334 -8.180 1.00 0.00 C ATOM 846 NZ LYS A 54 -12.967 8.662 -8.474 1.00 0.00 N ATOM 0 H LYS A 54 -10.798 4.100 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.006 5.581 -6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.414 5.313 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.852 6.609 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.796 8.170 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.342 6.980 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.835 6.037 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.079 7.736 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.078 6.555 -8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.626 7.329 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.289 8.994 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.254 9.345 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.931 8.574 -8.478 1.00 0.00 H new ATOM 860 N SER A 55 -9.552 6.822 -3.288 1.00 0.00 N ATOM 861 CA SER A 55 -8.666 7.745 -2.520 1.00 0.00 C ATOM 862 C SER A 55 -8.113 7.018 -1.291 1.00 0.00 C ATOM 863 O SER A 55 -8.406 5.861 -1.060 1.00 0.00 O ATOM 864 CB SER A 55 -9.467 8.967 -2.072 1.00 0.00 C ATOM 865 OG SER A 55 -10.463 8.559 -1.143 1.00 0.00 O ATOM 0 H SER A 55 -10.317 6.413 -2.752 1.00 0.00 H new ATOM 0 HA SER A 55 -7.840 8.066 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.805 9.702 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.931 9.448 -2.933 1.00 0.00 H new ATOM 0 HG SER A 55 -10.978 9.340 -0.852 1.00 0.00 H new ATOM 871 N GLY A 56 -7.314 7.694 -0.503 1.00 0.00 N ATOM 872 CA GLY A 56 -6.734 7.054 0.716 1.00 0.00 C ATOM 873 C GLY A 56 -7.861 6.631 1.661 1.00 0.00 C ATOM 874 O GLY A 56 -7.734 5.670 2.399 1.00 0.00 O ATOM 0 H GLY A 56 -7.038 8.665 -0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.137 6.186 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.065 7.751 1.221 1.00 0.00 H new ATOM 878 N ALA A 57 -8.963 7.340 1.643 1.00 0.00 N ATOM 879 CA ALA A 57 -10.105 6.983 2.535 1.00 0.00 C ATOM 880 C ALA A 57 -10.612 5.584 2.180 1.00 0.00 C ATOM 881 O ALA A 57 -11.105 4.860 3.024 1.00 0.00 O ATOM 882 CB ALA A 57 -11.235 7.999 2.347 1.00 0.00 C ATOM 0 H ALA A 57 -9.119 8.153 1.047 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.773 6.996 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.070 7.739 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.874 8.996 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.567 7.986 1.309 1.00 0.00 H new ATOM 888 N GLU A 58 -10.489 5.200 0.934 1.00 0.00 N ATOM 889 CA GLU A 58 -10.956 3.849 0.510 1.00 0.00 C ATOM 890 C GLU A 58 -9.895 2.800 0.864 1.00 0.00 C ATOM 891 O GLU A 58 -10.202 1.639 1.053 1.00 0.00 O ATOM 892 CB GLU A 58 -11.194 3.842 -1.002 1.00 0.00 C ATOM 893 CG GLU A 58 -12.590 4.394 -1.300 1.00 0.00 C ATOM 894 CD GLU A 58 -13.172 3.681 -2.522 1.00 0.00 C ATOM 895 OE1 GLU A 58 -13.311 2.470 -2.466 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.467 4.357 -3.493 1.00 0.00 O ATOM 0 H GLU A 58 -10.083 5.768 0.191 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.886 3.611 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.438 4.446 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.101 2.828 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.241 4.250 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.537 5.467 -1.483 1.00 0.00 H new ATOM 903 N ALA A 59 -8.650 3.203 0.956 1.00 0.00 N ATOM 904 CA ALA A 59 -7.567 2.234 1.297 1.00 0.00 C ATOM 905 C ALA A 59 -7.491 2.064 2.817 1.00 0.00 C ATOM 906 O ALA A 59 -7.179 0.998 3.313 1.00 0.00 O ATOM 907 CB ALA A 59 -6.230 2.765 0.777 1.00 0.00 C ATOM 0 H ALA A 59 -8.339 4.163 0.809 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.783 1.270 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.437 2.059 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.283 2.886 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.016 3.728 1.240 1.00 0.00 H new ATOM 913 N LYS A 60 -7.766 3.108 3.556 1.00 0.00 N ATOM 914 CA LYS A 60 -7.703 3.019 5.046 1.00 0.00 C ATOM 915 C LYS A 60 -8.917 2.250 5.576 1.00 0.00 C ATOM 916 O LYS A 60 -8.813 1.486 6.518 1.00 0.00 O ATOM 917 CB LYS A 60 -7.698 4.429 5.640 1.00 0.00 C ATOM 918 CG LYS A 60 -7.465 4.349 7.150 1.00 0.00 C ATOM 919 CD LYS A 60 -8.232 5.475 7.846 1.00 0.00 C ATOM 920 CE LYS A 60 -7.321 6.694 8.000 1.00 0.00 C ATOM 921 NZ LYS A 60 -8.143 7.887 8.349 1.00 0.00 N ATOM 0 H LYS A 60 -8.033 4.022 3.190 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.792 2.494 5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.917 5.029 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.647 4.925 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.795 3.382 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.400 4.431 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.116 5.740 7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.580 5.142 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.579 6.511 8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.776 6.873 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.524 8.716 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.835 8.065 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.644 7.714 9.244 1.00 0.00 H new ATOM 935 N LYS A 61 -10.067 2.451 4.984 1.00 0.00 N ATOM 936 CA LYS A 61 -11.295 1.738 5.453 1.00 0.00 C ATOM 937 C LYS A 61 -11.099 0.222 5.349 1.00 0.00 C ATOM 938 O LYS A 61 -11.729 -0.541 6.057 1.00 0.00 O ATOM 939 CB LYS A 61 -12.489 2.157 4.589 1.00 0.00 C ATOM 940 CG LYS A 61 -12.182 1.876 3.115 1.00 0.00 C ATOM 941 CD LYS A 61 -13.486 1.859 2.315 1.00 0.00 C ATOM 942 CE LYS A 61 -14.000 0.423 2.205 1.00 0.00 C ATOM 943 NZ LYS A 61 -15.473 0.437 1.986 1.00 0.00 N ATOM 0 H LYS A 61 -10.209 3.080 4.194 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.482 2.001 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.381 1.611 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.699 3.217 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.511 2.639 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.670 0.919 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.232 2.487 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.320 2.274 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.504 -0.090 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.762 -0.130 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.822 -0.540 1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.938 0.911 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.688 0.950 1.107 1.00 0.00 H new ATOM 957 N LEU A 62 -10.239 -0.218 4.464 1.00 0.00 N ATOM 958 CA LEU A 62 -10.008 -1.683 4.305 1.00 0.00 C ATOM 959 C LEU A 62 -9.253 -2.219 5.533 1.00 0.00 C ATOM 960 O LEU A 62 -8.513 -1.485 6.162 1.00 0.00 O ATOM 961 CB LEU A 62 -9.179 -1.941 3.043 1.00 0.00 C ATOM 962 CG LEU A 62 -9.836 -1.262 1.837 1.00 0.00 C ATOM 963 CD1 LEU A 62 -8.780 -1.007 0.761 1.00 0.00 C ATOM 964 CD2 LEU A 62 -10.925 -2.172 1.270 1.00 0.00 C ATOM 0 H LEU A 62 -9.687 0.376 3.845 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.968 -2.192 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.167 -1.560 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.095 -3.013 2.866 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.278 -0.316 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.245 -0.524 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.000 -0.360 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.341 -1.955 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.392 -1.689 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.482 -3.118 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.678 -2.359 2.036 1.00 0.00 H new ATOM 976 N PRO A 63 -9.453 -3.485 5.847 1.00 0.00 N ATOM 977 CA PRO A 63 -8.793 -4.153 7.016 1.00 0.00 C ATOM 978 C PRO A 63 -7.346 -4.506 6.677 1.00 0.00 C ATOM 979 O PRO A 63 -7.075 -5.461 5.973 1.00 0.00 O ATOM 980 CB PRO A 63 -9.630 -5.404 7.241 1.00 0.00 C ATOM 981 CG PRO A 63 -10.308 -5.729 5.925 1.00 0.00 C ATOM 982 CD PRO A 63 -10.346 -4.444 5.096 1.00 0.00 C ATOM 0 HA PRO A 63 -8.748 -3.521 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.003 -6.234 7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.369 -5.237 8.024 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.763 -6.510 5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.317 -6.104 6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.983 -4.614 4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.361 -4.057 5.010 1.00 0.00 H new ATOM 990 N GLY A 64 -6.419 -3.732 7.174 1.00 0.00 N ATOM 991 CA GLY A 64 -4.980 -3.996 6.891 1.00 0.00 C ATOM 992 C GLY A 64 -4.245 -2.663 6.733 1.00 0.00 C ATOM 993 O GLY A 64 -3.072 -2.554 7.038 1.00 0.00 O ATOM 0 H GLY A 64 -6.599 -2.923 7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.538 -4.575 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.879 -4.591 5.983 1.00 0.00 H new ATOM 997 N VAL A 65 -4.928 -1.650 6.259 1.00 0.00 N ATOM 998 CA VAL A 65 -4.274 -0.321 6.078 1.00 0.00 C ATOM 999 C VAL A 65 -4.432 0.503 7.358 1.00 0.00 C ATOM 1000 O VAL A 65 -5.468 0.484 7.995 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.932 0.418 4.911 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -4.176 1.719 4.636 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.890 -0.466 3.662 1.00 0.00 C ATOM 0 H VAL A 65 -5.911 -1.688 5.990 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.214 -0.464 5.865 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.967 0.646 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.646 2.244 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.202 2.350 5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.141 1.492 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.358 0.058 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.854 -0.693 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.428 -1.394 3.855 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.408 1.227 7.735 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.487 2.059 8.972 1.00 0.00 C ATOM 1015 C GLY A 66 -3.643 3.530 8.587 1.00 0.00 C ATOM 1016 O GLY A 66 -4.260 3.856 7.590 1.00 0.00 O ATOM 0 H GLY A 66 -2.519 1.277 7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.331 1.741 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.588 1.923 9.573 1.00 0.00 H new ATOM 1020 N THR A 67 -3.088 4.420 9.371 1.00 0.00 N ATOM 1021 CA THR A 67 -3.199 5.875 9.059 1.00 0.00 C ATOM 1022 C THR A 67 -1.912 6.350 8.381 1.00 0.00 C ATOM 1023 O THR A 67 -1.939 7.189 7.500 1.00 0.00 O ATOM 1024 CB THR A 67 -3.414 6.659 10.354 1.00 0.00 C ATOM 1025 OG1 THR A 67 -4.405 6.010 11.140 1.00 0.00 O ATOM 1026 CG2 THR A 67 -3.872 8.080 10.023 1.00 0.00 C ATOM 0 H THR A 67 -2.561 4.199 10.216 1.00 0.00 H new ATOM 0 HA THR A 67 -4.044 6.041 8.391 1.00 0.00 H new ATOM 0 HB THR A 67 -2.479 6.703 10.912 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.543 6.510 11.971 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.025 8.638 10.947 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.111 8.577 9.421 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.807 8.040 9.464 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.787 5.821 8.789 1.00 0.00 N ATOM 1035 CA LYS A 68 0.509 6.237 8.176 1.00 0.00 C ATOM 1036 C LYS A 68 0.579 5.732 6.733 1.00 0.00 C ATOM 1037 O LYS A 68 0.696 6.507 5.800 1.00 0.00 O ATOM 1038 CB LYS A 68 1.667 5.643 8.981 1.00 0.00 C ATOM 1039 CG LYS A 68 2.888 6.559 8.872 1.00 0.00 C ATOM 1040 CD LYS A 68 4.165 5.723 8.986 1.00 0.00 C ATOM 1041 CE LYS A 68 5.306 6.602 9.501 1.00 0.00 C ATOM 1042 NZ LYS A 68 5.112 6.866 10.955 1.00 0.00 N ATOM 0 H LYS A 68 -0.711 5.117 9.523 1.00 0.00 H new ATOM 0 HA LYS A 68 0.581 7.325 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.377 5.529 10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.911 4.648 8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.873 7.091 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.862 7.312 9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.004 4.884 9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.425 5.303 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.263 6.108 9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.332 7.542 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.028 7.091 11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.463 7.669 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.709 6.022 11.410 1.00 0.00 H new ATOM 1056 N ILE A 69 0.510 4.438 6.544 1.00 0.00 N ATOM 1057 CA ILE A 69 0.574 3.874 5.163 1.00 0.00 C ATOM 1058 C ILE A 69 -0.607 4.389 4.340 1.00 0.00 C ATOM 1059 O ILE A 69 -0.481 4.651 3.158 1.00 0.00 O ATOM 1060 CB ILE A 69 0.517 2.345 5.236 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.634 1.829 6.155 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.689 1.752 3.833 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.009 2.253 5.622 1.00 0.00 C ATOM 0 H ILE A 69 0.412 3.748 7.288 1.00 0.00 H new ATOM 0 HA ILE A 69 1.505 4.184 4.689 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.450 2.041 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.492 2.219 7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.583 0.742 6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.648 0.664 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.110 2.112 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.652 2.058 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.788 1.878 6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.155 1.841 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.062 3.341 5.578 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.753 4.538 4.955 1.00 0.00 N ATOM 1076 CA ALA A 70 -2.952 5.038 4.214 1.00 0.00 C ATOM 1077 C ALA A 70 -2.641 6.408 3.603 1.00 0.00 C ATOM 1078 O ALA A 70 -3.028 6.701 2.487 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.134 5.161 5.176 1.00 0.00 C ATOM 0 H ALA A 70 -1.911 4.334 5.942 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.206 4.337 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.007 5.525 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.356 4.185 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.883 5.861 5.973 1.00 0.00 H new ATOM 1085 N GLU A 71 -1.935 7.244 4.325 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.582 8.588 3.796 1.00 0.00 C ATOM 1087 C GLU A 71 -0.724 8.422 2.540 1.00 0.00 C ATOM 1088 O GLU A 71 -0.878 9.142 1.569 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.794 9.364 4.856 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.713 9.702 6.031 1.00 0.00 C ATOM 1091 CD GLU A 71 -0.883 9.833 7.309 1.00 0.00 C ATOM 1092 OE1 GLU A 71 0.240 10.302 7.217 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -1.384 9.463 8.357 1.00 0.00 O ATOM 0 H GLU A 71 -1.588 7.047 5.264 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.491 9.137 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.052 8.770 5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.387 10.278 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.245 10.633 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.466 8.924 6.153 1.00 0.00 H new ATOM 1100 N LYS A 72 0.173 7.468 2.552 1.00 0.00 N ATOM 1101 CA LYS A 72 1.042 7.232 1.363 1.00 0.00 C ATOM 1102 C LYS A 72 0.170 6.832 0.170 1.00 0.00 C ATOM 1103 O LYS A 72 0.495 7.110 -0.968 1.00 0.00 O ATOM 1104 CB LYS A 72 2.034 6.107 1.669 1.00 0.00 C ATOM 1105 CG LYS A 72 3.321 6.703 2.242 1.00 0.00 C ATOM 1106 CD LYS A 72 4.506 5.802 1.884 1.00 0.00 C ATOM 1107 CE LYS A 72 5.761 6.656 1.705 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.876 5.802 1.205 1.00 0.00 N ATOM 0 H LYS A 72 0.340 6.841 3.339 1.00 0.00 H new ATOM 0 HA LYS A 72 1.591 8.144 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.597 5.406 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.254 5.545 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.479 7.705 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.239 6.800 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.665 5.063 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.294 5.252 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.566 7.466 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.039 7.117 2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.730 6.383 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.067 5.044 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.609 5.383 0.292 1.00 0.00 H new ATOM 1122 N ILE A 73 -0.942 6.187 0.428 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.850 5.771 -0.683 1.00 0.00 C ATOM 1124 C ILE A 73 -2.366 7.024 -1.398 1.00 0.00 C ATOM 1125 O ILE A 73 -2.381 7.093 -2.612 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.033 4.979 -0.109 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.513 3.770 0.688 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.937 4.494 -1.248 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.712 2.832 -0.225 1.00 0.00 C ATOM 0 H ILE A 73 -1.259 5.931 1.363 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.308 5.142 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.607 5.627 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.884 4.112 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.351 3.230 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.775 3.933 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.315 5.352 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.365 3.852 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.351 1.982 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.352 2.476 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.863 3.371 -0.646 1.00 0.00 H new ATOM 1141 N ASP A 74 -2.780 8.018 -0.649 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.292 9.281 -1.270 1.00 0.00 C ATOM 1143 C ASP A 74 -2.234 9.858 -2.215 1.00 0.00 C ATOM 1144 O ASP A 74 -2.542 10.309 -3.302 1.00 0.00 O ATOM 1145 CB ASP A 74 -3.602 10.302 -0.172 1.00 0.00 C ATOM 1146 CG ASP A 74 -4.527 9.670 0.870 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -4.096 8.738 1.528 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -5.649 10.132 0.995 1.00 0.00 O ATOM 0 H ASP A 74 -2.785 8.009 0.371 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.200 9.062 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.678 10.634 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.074 11.184 -0.604 1.00 0.00 H new ATOM 1153 N GLU A 75 -0.988 9.835 -1.811 1.00 0.00 N ATOM 1154 CA GLU A 75 0.099 10.366 -2.687 1.00 0.00 C ATOM 1155 C GLU A 75 0.159 9.535 -3.972 1.00 0.00 C ATOM 1156 O GLU A 75 0.543 10.020 -5.020 1.00 0.00 O ATOM 1157 CB GLU A 75 1.438 10.274 -1.953 1.00 0.00 C ATOM 1158 CG GLU A 75 2.412 11.300 -2.537 1.00 0.00 C ATOM 1159 CD GLU A 75 3.849 10.860 -2.250 1.00 0.00 C ATOM 1160 OE1 GLU A 75 4.282 11.018 -1.120 1.00 0.00 O ATOM 1161 OE2 GLU A 75 4.492 10.373 -3.166 1.00 0.00 O ATOM 0 H GLU A 75 -0.677 9.470 -0.910 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.104 11.408 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.295 10.458 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.850 9.269 -2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.257 11.394 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.227 12.282 -2.101 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.225 8.285 -3.894 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.204 7.407 -5.099 1.00 0.00 C ATOM 1170 C PHE A 76 -1.313 7.835 -6.057 1.00 0.00 C ATOM 1171 O PHE A 76 -1.085 8.061 -7.231 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.450 5.954 -4.663 1.00 0.00 C ATOM 1173 CG PHE A 76 0.807 5.148 -4.837 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.901 5.374 -3.997 1.00 0.00 C ATOM 1175 CD2 PHE A 76 0.878 4.175 -5.838 1.00 0.00 C ATOM 1176 CE1 PHE A 76 3.072 4.625 -4.157 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.048 3.424 -6.001 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.146 3.649 -5.159 1.00 0.00 C ATOM 0 H PHE A 76 -0.554 7.834 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 76 0.762 7.489 -5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.769 5.927 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.256 5.519 -5.254 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.843 6.127 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.031 4.003 -6.485 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.918 4.799 -3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.105 2.672 -6.774 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.049 3.070 -5.283 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.512 7.928 -5.557 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.661 8.319 -6.414 1.00 0.00 C ATOM 1190 C LEU A 77 -3.573 9.808 -6.765 1.00 0.00 C ATOM 1191 O LEU A 77 -4.092 10.243 -7.776 1.00 0.00 O ATOM 1192 CB LEU A 77 -4.967 8.046 -5.655 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.288 6.540 -5.616 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.314 5.956 -7.032 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.234 5.806 -4.784 1.00 0.00 C ATOM 0 H LEU A 77 -2.746 7.748 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.639 7.738 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.886 8.429 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.787 8.582 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.271 6.410 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.542 4.891 -6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.078 6.464 -7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.340 6.097 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.466 4.741 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.251 5.953 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.233 6.200 -3.768 1.00 0.00 H new ATOM 1207 N ALA A 78 -2.924 10.592 -5.939 1.00 0.00 N ATOM 1208 CA ALA A 78 -2.807 12.053 -6.224 1.00 0.00 C ATOM 1209 C ALA A 78 -2.040 12.260 -7.536 1.00 0.00 C ATOM 1210 O ALA A 78 -2.629 12.509 -8.572 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.061 12.739 -5.074 1.00 0.00 C ATOM 0 H ALA A 78 -2.471 10.281 -5.080 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.802 12.487 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.975 13.806 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.612 12.593 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.065 12.307 -4.977 1.00 0.00 H new ATOM 1217 N THR A 79 -0.734 12.161 -7.500 1.00 0.00 N ATOM 1218 CA THR A 79 0.072 12.350 -8.741 1.00 0.00 C ATOM 1219 C THR A 79 0.618 10.998 -9.206 1.00 0.00 C ATOM 1220 O THR A 79 0.322 10.543 -10.296 1.00 0.00 O ATOM 1221 CB THR A 79 1.238 13.299 -8.453 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.763 14.419 -7.718 1.00 0.00 O ATOM 1223 CG2 THR A 79 1.852 13.772 -9.770 1.00 0.00 C ATOM 0 H THR A 79 -0.192 11.957 -6.661 1.00 0.00 H new ATOM 0 HA THR A 79 -0.558 12.775 -9.522 1.00 0.00 H new ATOM 0 HB THR A 79 1.997 12.777 -7.870 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.508 15.027 -7.531 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.682 14.448 -9.563 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.216 12.912 -10.331 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.097 14.295 -10.357 1.00 0.00 H new