USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 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 150:sc= 0 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -152:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -140:sc= -0.82 USER MOD Single : A 18 MET CE :methyl -149:sc= -0.185 (180deg=-0.706) USER MOD Single : A 24 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -4.93 K(o=-4.9,f=-9.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.14) USER MOD Single : A 34 HIS : no HD1:sc= -5.61! C(o=-5.6!,f=-6.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -2.96 USER MOD Single : A 37 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.8!) 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+ 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= -3.29 K(o=-3.3,f=-4.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0.99 (180deg=0.657) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.894 -4.040 -8.486 1.00 0.00 N ATOM 184 CA GLY A 13 -0.566 -4.722 -8.445 1.00 0.00 C ATOM 185 C GLY A 13 0.570 -3.711 -8.665 1.00 0.00 C ATOM 186 O GLY A 13 1.730 -4.076 -8.656 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.436 -5.219 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.525 -5.496 -9.212 1.00 0.00 H new ATOM 190 N GLY A 14 0.256 -2.447 -8.853 1.00 0.00 N ATOM 191 CA GLY A 14 1.330 -1.434 -9.062 1.00 0.00 C ATOM 192 C GLY A 14 1.718 -0.845 -7.710 1.00 0.00 C ATOM 193 O GLY A 14 2.879 -0.635 -7.417 1.00 0.00 O ATOM 0 H GLY A 14 -0.696 -2.080 -8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.197 -1.895 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.982 -0.647 -9.731 1.00 0.00 H new ATOM 197 N ILE A 15 0.740 -0.582 -6.886 1.00 0.00 N ATOM 198 CA ILE A 15 1.014 -0.007 -5.542 1.00 0.00 C ATOM 199 C ILE A 15 1.693 -1.062 -4.675 1.00 0.00 C ATOM 200 O ILE A 15 2.776 -0.856 -4.160 1.00 0.00 O ATOM 201 CB ILE A 15 -0.303 0.395 -4.873 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.162 1.234 -5.835 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.006 1.203 -3.607 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.592 0.691 -5.838 1.00 0.00 C ATOM 0 H ILE A 15 -0.246 -0.743 -7.091 1.00 0.00 H new ATOM 0 HA ILE A 15 1.656 0.867 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.855 -0.507 -4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.158 2.280 -5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.744 1.197 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.943 1.490 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.581 0.596 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.556 2.099 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.204 1.283 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.586 -0.348 -6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.006 0.751 -4.832 1.00 0.00 H new ATOM 216 N THR A 16 1.051 -2.193 -4.503 1.00 0.00 N ATOM 217 CA THR A 16 1.630 -3.280 -3.658 1.00 0.00 C ATOM 218 C THR A 16 3.055 -3.614 -4.116 1.00 0.00 C ATOM 219 O THR A 16 3.908 -3.950 -3.316 1.00 0.00 O ATOM 220 CB THR A 16 0.755 -4.532 -3.767 1.00 0.00 C ATOM 221 OG1 THR A 16 1.360 -5.592 -3.039 1.00 0.00 O ATOM 222 CG2 THR A 16 0.611 -4.936 -5.234 1.00 0.00 C ATOM 0 H THR A 16 0.144 -2.409 -4.916 1.00 0.00 H new ATOM 0 HA THR A 16 1.663 -2.940 -2.623 1.00 0.00 H new ATOM 0 HB THR A 16 -0.232 -4.321 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.261 -6.430 -3.538 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.012 -5.827 -5.306 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.147 -4.122 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.595 -5.147 -5.652 1.00 0.00 H new ATOM 230 N ASP A 17 3.316 -3.519 -5.396 1.00 0.00 N ATOM 231 CA ASP A 17 4.683 -3.825 -5.912 1.00 0.00 C ATOM 232 C ASP A 17 5.689 -2.847 -5.298 1.00 0.00 C ATOM 233 O ASP A 17 6.833 -3.185 -5.061 1.00 0.00 O ATOM 234 CB ASP A 17 4.699 -3.683 -7.435 1.00 0.00 C ATOM 235 CG ASP A 17 5.992 -4.282 -7.991 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.133 -5.493 -7.934 1.00 0.00 O ATOM 237 OD2 ASP A 17 6.819 -3.520 -8.464 1.00 0.00 O ATOM 0 H ASP A 17 2.639 -3.242 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 17 4.954 -4.845 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.836 -4.190 -7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.624 -2.632 -7.713 1.00 0.00 H new ATOM 242 N MET A 18 5.261 -1.638 -5.036 1.00 0.00 N ATOM 243 CA MET A 18 6.178 -0.627 -4.433 1.00 0.00 C ATOM 244 C MET A 18 6.163 -0.754 -2.905 1.00 0.00 C ATOM 245 O MET A 18 7.081 -0.317 -2.234 1.00 0.00 O ATOM 246 CB MET A 18 5.721 0.777 -4.832 1.00 0.00 C ATOM 247 CG MET A 18 6.915 1.731 -4.805 1.00 0.00 C ATOM 248 SD MET A 18 7.764 1.682 -6.403 1.00 0.00 S ATOM 249 CE MET A 18 9.272 0.860 -5.833 1.00 0.00 C ATOM 0 H MET A 18 4.313 -1.308 -5.215 1.00 0.00 H new ATOM 0 HA MET A 18 7.191 -0.800 -4.797 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.280 0.758 -5.829 1.00 0.00 H new ATOM 0 HB3 MET A 18 4.947 1.127 -4.148 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.579 2.745 -4.591 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.602 1.448 -4.007 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.117 1.192 -6.435 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.450 1.111 -4.787 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.158 -0.219 -5.932 1.00 0.00 H new ATOM 259 N LEU A 19 5.135 -1.354 -2.348 1.00 0.00 N ATOM 260 CA LEU A 19 5.071 -1.511 -0.869 1.00 0.00 C ATOM 261 C LEU A 19 5.817 -2.784 -0.487 1.00 0.00 C ATOM 262 O LEU A 19 6.497 -2.844 0.517 1.00 0.00 O ATOM 263 CB LEU A 19 3.609 -1.626 -0.423 1.00 0.00 C ATOM 264 CG LEU A 19 2.951 -0.234 -0.419 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.850 -0.169 -1.487 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.340 0.042 0.961 1.00 0.00 C ATOM 0 H LEU A 19 4.341 -1.740 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 19 5.524 -0.646 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.066 -2.292 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.557 -2.065 0.573 1.00 0.00 H new ATOM 0 HG LEU A 19 3.709 0.517 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.391 0.819 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.284 -0.357 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.092 -0.923 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.875 1.028 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.588 -0.715 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.123 0.009 1.719 1.00 0.00 H new ATOM 278 N VAL A 20 5.690 -3.798 -1.299 1.00 0.00 N ATOM 279 CA VAL A 20 6.381 -5.084 -1.022 1.00 0.00 C ATOM 280 C VAL A 20 7.893 -4.886 -1.160 1.00 0.00 C ATOM 281 O VAL A 20 8.670 -5.420 -0.389 1.00 0.00 O ATOM 282 CB VAL A 20 5.898 -6.131 -2.028 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.546 -7.479 -1.722 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.376 -6.269 -1.930 1.00 0.00 C ATOM 0 H VAL A 20 5.130 -3.787 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 20 6.157 -5.421 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 20 6.175 -5.816 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.199 -8.221 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.630 -7.386 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.273 -7.794 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.031 -7.015 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.103 -6.581 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.909 -5.310 -2.152 1.00 0.00 H new ATOM 294 N GLU A 21 8.314 -4.124 -2.137 1.00 0.00 N ATOM 295 CA GLU A 21 9.774 -3.885 -2.334 1.00 0.00 C ATOM 296 C GLU A 21 10.340 -3.137 -1.126 1.00 0.00 C ATOM 297 O GLU A 21 11.229 -3.623 -0.445 1.00 0.00 O ATOM 298 CB GLU A 21 9.988 -3.049 -3.599 1.00 0.00 C ATOM 299 CG GLU A 21 10.136 -3.977 -4.806 1.00 0.00 C ATOM 300 CD GLU A 21 10.870 -3.241 -5.928 1.00 0.00 C ATOM 301 OE1 GLU A 21 12.088 -3.181 -5.872 1.00 0.00 O ATOM 302 OE2 GLU A 21 10.203 -2.752 -6.824 1.00 0.00 O ATOM 0 H GLU A 21 7.706 -3.656 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 21 10.286 -4.841 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.146 -2.373 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.879 -2.430 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.687 -4.874 -4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.154 -4.302 -5.151 1.00 0.00 H new ATOM 309 N LEU A 22 9.836 -1.957 -0.851 1.00 0.00 N ATOM 310 CA LEU A 22 10.353 -1.183 0.314 1.00 0.00 C ATOM 311 C LEU A 22 10.082 -1.970 1.605 1.00 0.00 C ATOM 312 O LEU A 22 10.861 -1.939 2.537 1.00 0.00 O ATOM 313 CB LEU A 22 9.690 0.215 0.350 1.00 0.00 C ATOM 314 CG LEU A 22 8.273 0.157 0.945 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.353 0.300 2.472 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.431 1.300 0.372 1.00 0.00 C ATOM 0 H LEU A 22 9.093 -1.502 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 22 11.429 -1.038 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.305 0.894 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.644 0.622 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 22 7.812 -0.798 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.349 0.259 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.953 -0.512 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.814 1.255 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.427 1.259 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.892 2.254 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.374 1.202 -0.712 1.00 0.00 H new ATOM 328 N ALA A 23 8.982 -2.685 1.653 1.00 0.00 N ATOM 329 CA ALA A 23 8.639 -3.493 2.871 1.00 0.00 C ATOM 330 C ALA A 23 9.830 -4.373 3.260 1.00 0.00 C ATOM 331 O ALA A 23 10.178 -4.486 4.420 1.00 0.00 O ATOM 332 CB ALA A 23 7.431 -4.382 2.571 1.00 0.00 C ATOM 0 H ALA A 23 8.301 -2.745 0.896 1.00 0.00 H new ATOM 0 HA ALA A 23 8.402 -2.818 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.182 -4.968 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.580 -3.759 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.669 -5.053 1.746 1.00 0.00 H new ATOM 338 N ASN A 24 10.470 -4.976 2.290 1.00 0.00 N ATOM 339 CA ASN A 24 11.652 -5.831 2.588 1.00 0.00 C ATOM 340 C ASN A 24 12.752 -4.951 3.185 1.00 0.00 C ATOM 341 O ASN A 24 13.383 -5.307 4.160 1.00 0.00 O ATOM 342 CB ASN A 24 12.152 -6.477 1.290 1.00 0.00 C ATOM 343 CG ASN A 24 11.647 -7.920 1.206 1.00 0.00 C ATOM 344 OD1 ASN A 24 11.513 -8.588 2.212 1.00 0.00 O ATOM 345 ND2 ASN A 24 11.359 -8.430 0.040 1.00 0.00 N ATOM 0 H ASN A 24 10.222 -4.911 1.303 1.00 0.00 H new ATOM 0 HA ASN A 24 11.381 -6.615 3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.800 -5.907 0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.241 -6.460 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.021 -9.390 -0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.472 -7.869 -0.804 1.00 0.00 H new ATOM 352 N PHE A 25 12.968 -3.792 2.608 1.00 0.00 N ATOM 353 CA PHE A 25 14.018 -2.849 3.121 1.00 0.00 C ATOM 354 C PHE A 25 13.884 -2.661 4.637 1.00 0.00 C ATOM 355 O PHE A 25 14.858 -2.435 5.327 1.00 0.00 O ATOM 356 CB PHE A 25 13.846 -1.492 2.426 1.00 0.00 C ATOM 357 CG PHE A 25 14.978 -0.571 2.811 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.250 -0.754 2.257 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.755 0.468 3.723 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.300 0.101 2.614 1.00 0.00 C ATOM 361 CE2 PHE A 25 15.805 1.323 4.081 1.00 0.00 C ATOM 362 CZ PHE A 25 17.077 1.139 3.526 1.00 0.00 C ATOM 0 H PHE A 25 12.456 -3.454 1.793 1.00 0.00 H new ATOM 0 HA PHE A 25 15.003 -3.264 2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.827 -1.627 1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.892 -1.047 2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.422 -1.555 1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.773 0.610 4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.281 -0.040 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.633 2.124 4.785 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.887 1.798 3.802 1.00 0.00 H new ATOM 372 N GLU A 26 12.690 -2.751 5.154 1.00 0.00 N ATOM 373 CA GLU A 26 12.493 -2.572 6.621 1.00 0.00 C ATOM 374 C GLU A 26 12.860 -3.860 7.361 1.00 0.00 C ATOM 375 O GLU A 26 13.511 -3.832 8.389 1.00 0.00 O ATOM 376 CB GLU A 26 11.029 -2.231 6.892 1.00 0.00 C ATOM 377 CG GLU A 26 10.763 -0.785 6.477 1.00 0.00 C ATOM 378 CD GLU A 26 10.596 -0.709 4.963 1.00 0.00 C ATOM 379 OE1 GLU A 26 9.550 -1.110 4.485 1.00 0.00 O ATOM 380 OE2 GLU A 26 11.517 -0.253 4.306 1.00 0.00 O ATOM 0 H GLU A 26 11.840 -2.941 4.623 1.00 0.00 H new ATOM 0 HA GLU A 26 13.134 -1.764 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.378 -2.906 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.802 -2.366 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.865 -0.414 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.588 -0.147 6.794 1.00 0.00 H new ATOM 387 N LYS A 27 12.430 -4.985 6.856 1.00 0.00 N ATOM 388 CA LYS A 27 12.728 -6.283 7.533 1.00 0.00 C ATOM 389 C LYS A 27 14.216 -6.636 7.411 1.00 0.00 C ATOM 390 O LYS A 27 14.853 -6.965 8.395 1.00 0.00 O ATOM 391 CB LYS A 27 11.888 -7.393 6.899 1.00 0.00 C ATOM 392 CG LYS A 27 12.025 -8.672 7.727 1.00 0.00 C ATOM 393 CD LYS A 27 11.933 -9.890 6.806 1.00 0.00 C ATOM 394 CE LYS A 27 11.654 -11.141 7.642 1.00 0.00 C ATOM 395 NZ LYS A 27 11.299 -12.273 6.739 1.00 0.00 N ATOM 0 H LYS A 27 11.882 -5.062 5.999 1.00 0.00 H new ATOM 0 HA LYS A 27 12.481 -6.186 8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.842 -7.089 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.216 -7.573 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.978 -8.675 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.240 -8.714 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.140 -9.746 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.863 -10.011 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.531 -11.397 8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.840 -10.950 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.109 -13.124 7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.451 -12.027 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.089 -12.460 6.089 1.00 0.00 H new ATOM 409 N ASN A 28 14.781 -6.585 6.223 1.00 0.00 N ATOM 410 CA ASN A 28 16.230 -6.938 6.077 1.00 0.00 C ATOM 411 C ASN A 28 17.099 -5.958 6.879 1.00 0.00 C ATOM 412 O ASN A 28 18.259 -6.224 7.131 1.00 0.00 O ATOM 413 CB ASN A 28 16.652 -6.938 4.599 1.00 0.00 C ATOM 414 CG ASN A 28 16.494 -5.547 3.981 1.00 0.00 C ATOM 415 OD1 ASN A 28 15.621 -5.334 3.168 1.00 0.00 O ATOM 416 ND2 ASN A 28 17.325 -4.593 4.308 1.00 0.00 N ATOM 0 H ASN A 28 14.307 -6.318 5.360 1.00 0.00 H new ATOM 0 HA ASN A 28 16.376 -7.944 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.689 -7.261 4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.048 -7.656 4.045 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.238 -3.672 3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.061 -4.770 4.992 1.00 0.00 H new ATOM 423 N VAL A 29 16.551 -4.838 7.298 1.00 0.00 N ATOM 424 CA VAL A 29 17.353 -3.869 8.097 1.00 0.00 C ATOM 425 C VAL A 29 17.229 -4.267 9.576 1.00 0.00 C ATOM 426 O VAL A 29 16.388 -5.067 9.941 1.00 0.00 O ATOM 427 CB VAL A 29 16.822 -2.443 7.841 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.355 -1.455 8.890 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.286 -1.984 6.458 1.00 0.00 C ATOM 0 H VAL A 29 15.586 -4.559 7.119 1.00 0.00 H new ATOM 0 HA VAL A 29 18.405 -3.885 7.813 1.00 0.00 H new ATOM 0 HB VAL A 29 15.734 -2.464 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.964 -0.459 8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.036 -1.771 9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.444 -1.433 8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.916 -0.977 6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.375 -1.984 6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.897 -2.664 5.700 1.00 0.00 H new ATOM 439 N SER A 30 18.085 -3.745 10.415 1.00 0.00 N ATOM 440 CA SER A 30 18.053 -4.121 11.860 1.00 0.00 C ATOM 441 C SER A 30 16.862 -3.478 12.583 1.00 0.00 C ATOM 442 O SER A 30 15.937 -4.159 12.988 1.00 0.00 O ATOM 443 CB SER A 30 19.358 -3.671 12.520 1.00 0.00 C ATOM 444 OG SER A 30 19.824 -4.697 13.386 1.00 0.00 O ATOM 0 H SER A 30 18.808 -3.072 10.161 1.00 0.00 H new ATOM 0 HA SER A 30 17.943 -5.203 11.933 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.108 -3.453 11.759 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.197 -2.751 13.081 1.00 0.00 H new ATOM 0 HG SER A 30 20.661 -4.413 13.809 1.00 0.00 H new ATOM 450 N GLN A 31 16.894 -2.184 12.781 1.00 0.00 N ATOM 451 CA GLN A 31 15.782 -1.508 13.518 1.00 0.00 C ATOM 452 C GLN A 31 14.683 -1.037 12.554 1.00 0.00 C ATOM 453 O GLN A 31 14.458 0.151 12.395 1.00 0.00 O ATOM 454 CB GLN A 31 16.347 -0.308 14.284 1.00 0.00 C ATOM 455 CG GLN A 31 17.449 -0.780 15.234 1.00 0.00 C ATOM 456 CD GLN A 31 16.831 -1.611 16.360 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.496 -1.087 17.404 1.00 0.00 O ATOM 458 NE2 GLN A 31 16.665 -2.895 16.192 1.00 0.00 N ATOM 0 H GLN A 31 17.642 -1.566 12.464 1.00 0.00 H new ATOM 0 HA GLN A 31 15.338 -2.222 14.212 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.745 0.428 13.585 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.553 0.184 14.847 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.183 -1.374 14.690 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.978 0.078 15.649 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.946 -3.335 15.316 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.254 -3.458 16.937 1.00 0.00 H new ATOM 467 N ALA A 32 13.982 -1.951 11.928 1.00 0.00 N ATOM 468 CA ALA A 32 12.886 -1.541 11.004 1.00 0.00 C ATOM 469 C ALA A 32 11.805 -2.624 10.976 1.00 0.00 C ATOM 470 O ALA A 32 11.454 -3.144 9.934 1.00 0.00 O ATOM 471 CB ALA A 32 13.446 -1.321 9.600 1.00 0.00 C ATOM 0 H ALA A 32 14.122 -2.957 12.018 1.00 0.00 H new ATOM 0 HA ALA A 32 12.446 -0.608 11.357 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.640 -1.022 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.204 -0.538 9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.894 -2.246 9.238 1.00 0.00 H new ATOM 477 N ILE A 33 11.269 -2.961 12.121 1.00 0.00 N ATOM 478 CA ILE A 33 10.202 -4.001 12.180 1.00 0.00 C ATOM 479 C ILE A 33 8.834 -3.312 12.357 1.00 0.00 C ATOM 480 O ILE A 33 7.809 -3.867 12.018 1.00 0.00 O ATOM 481 CB ILE A 33 10.544 -5.008 13.323 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.664 -6.425 12.738 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.491 -5.025 14.445 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.741 -6.455 11.647 1.00 0.00 C ATOM 0 H ILE A 33 11.527 -2.557 13.022 1.00 0.00 H new ATOM 0 HA ILE A 33 10.148 -4.574 11.254 1.00 0.00 H new ATOM 0 HB ILE A 33 11.487 -4.680 13.761 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.916 -7.133 13.528 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.706 -6.738 12.323 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.785 -5.744 15.209 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.417 -4.033 14.890 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.524 -5.310 14.032 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.818 -7.463 11.239 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.472 -5.761 10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.700 -6.162 12.074 1.00 0.00 H new ATOM 496 N HIS A 34 8.820 -2.107 12.872 1.00 0.00 N ATOM 497 CA HIS A 34 7.522 -1.377 13.050 1.00 0.00 C ATOM 498 C HIS A 34 7.065 -0.859 11.684 1.00 0.00 C ATOM 499 O HIS A 34 5.923 -1.032 11.293 1.00 0.00 O ATOM 500 CB HIS A 34 7.667 -0.194 14.033 1.00 0.00 C ATOM 501 CG HIS A 34 8.994 0.499 13.855 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.119 0.119 14.567 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.396 1.528 13.041 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.135 0.905 14.171 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.749 1.784 13.243 1.00 0.00 N ATOM 0 H HIS A 34 9.649 -1.596 13.177 1.00 0.00 H new ATOM 0 HA HIS A 34 6.786 -2.064 13.467 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.857 0.518 13.873 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.576 -0.555 15.057 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.759 2.059 12.349 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.141 0.834 14.557 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.322 2.491 12.782 1.00 0.00 H new ATOM 513 N LYS A 35 7.956 -0.246 10.946 1.00 0.00 N ATOM 514 CA LYS A 35 7.587 0.265 9.590 1.00 0.00 C ATOM 515 C LYS A 35 7.438 -0.924 8.630 1.00 0.00 C ATOM 516 O LYS A 35 6.728 -0.854 7.645 1.00 0.00 O ATOM 517 CB LYS A 35 8.668 1.225 9.073 1.00 0.00 C ATOM 518 CG LYS A 35 10.062 0.599 9.228 1.00 0.00 C ATOM 519 CD LYS A 35 10.786 1.218 10.432 1.00 0.00 C ATOM 520 CE LYS A 35 12.223 1.592 10.046 1.00 0.00 C ATOM 521 NZ LYS A 35 12.333 3.074 9.921 1.00 0.00 N ATOM 0 H LYS A 35 8.923 -0.077 11.224 1.00 0.00 H new ATOM 0 HA LYS A 35 6.644 0.807 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.483 1.460 8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.622 2.165 9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.972 -0.479 9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.645 0.760 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.250 2.104 10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.796 0.512 11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.920 1.227 10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.494 1.115 9.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.307 3.329 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.678 3.410 9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.091 3.518 10.830 1.00 0.00 H new ATOM 535 N TYR A 36 8.093 -2.024 8.926 1.00 0.00 N ATOM 536 CA TYR A 36 7.991 -3.237 8.058 1.00 0.00 C ATOM 537 C TYR A 36 6.518 -3.661 7.960 1.00 0.00 C ATOM 538 O TYR A 36 5.996 -3.885 6.884 1.00 0.00 O ATOM 539 CB TYR A 36 8.839 -4.354 8.695 1.00 0.00 C ATOM 540 CG TYR A 36 8.654 -5.679 7.978 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.581 -5.731 6.580 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.565 -6.860 8.725 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.419 -6.961 5.933 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.404 -8.089 8.079 1.00 0.00 C ATOM 545 CZ TYR A 36 8.331 -8.140 6.682 1.00 0.00 C ATOM 546 OH TYR A 36 8.175 -9.354 6.045 1.00 0.00 O ATOM 0 H TYR A 36 8.699 -2.131 9.740 1.00 0.00 H new ATOM 0 HA TYR A 36 8.359 -3.032 7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.891 -4.071 8.670 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.564 -4.466 9.744 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.650 -4.822 6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.621 -6.821 9.803 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.362 -7.001 4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 36 8.336 -8.999 8.657 1.00 0.00 H new ATOM 0 HH TYR A 36 8.132 -10.070 6.712 1.00 0.00 H new ATOM 556 N ASN A 37 5.849 -3.760 9.081 1.00 0.00 N ATOM 557 CA ASN A 37 4.410 -4.152 9.072 1.00 0.00 C ATOM 558 C ASN A 37 3.587 -3.060 8.379 1.00 0.00 C ATOM 559 O ASN A 37 2.526 -3.317 7.847 1.00 0.00 O ATOM 560 CB ASN A 37 3.919 -4.324 10.511 1.00 0.00 C ATOM 561 CG ASN A 37 4.545 -5.581 11.119 1.00 0.00 C ATOM 562 OD1 ASN A 37 5.678 -5.911 10.826 1.00 0.00 O ATOM 563 ND2 ASN A 37 3.851 -6.301 11.956 1.00 0.00 N ATOM 0 H ASN A 37 6.241 -3.585 10.006 1.00 0.00 H new ATOM 0 HA ASN A 37 4.293 -5.092 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.186 -3.449 11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.832 -4.402 10.528 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.259 -7.142 12.365 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.901 -6.023 12.201 1.00 0.00 H new ATOM 570 N ALA A 38 4.073 -1.840 8.379 1.00 0.00 N ATOM 571 CA ALA A 38 3.331 -0.719 7.719 1.00 0.00 C ATOM 572 C ALA A 38 3.041 -1.064 6.255 1.00 0.00 C ATOM 573 O ALA A 38 1.901 -1.152 5.840 1.00 0.00 O ATOM 574 CB ALA A 38 4.194 0.546 7.761 1.00 0.00 C ATOM 0 H ALA A 38 4.957 -1.572 8.811 1.00 0.00 H new ATOM 0 HA ALA A 38 2.391 -0.559 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.660 1.367 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.406 0.807 8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.130 0.365 7.233 1.00 0.00 H new ATOM 580 N TYR A 39 4.071 -1.233 5.472 1.00 0.00 N ATOM 581 CA TYR A 39 3.880 -1.539 4.025 1.00 0.00 C ATOM 582 C TYR A 39 3.480 -3.003 3.826 1.00 0.00 C ATOM 583 O TYR A 39 2.849 -3.344 2.842 1.00 0.00 O ATOM 584 CB TYR A 39 5.182 -1.247 3.280 1.00 0.00 C ATOM 585 CG TYR A 39 5.547 0.206 3.481 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.279 0.597 4.609 1.00 0.00 C ATOM 587 CD2 TYR A 39 5.149 1.162 2.539 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.613 1.944 4.796 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.482 2.509 2.726 1.00 0.00 C ATOM 590 CZ TYR A 39 6.213 2.900 3.854 1.00 0.00 C ATOM 591 OH TYR A 39 6.540 4.228 4.038 1.00 0.00 O ATOM 0 H TYR A 39 5.043 -1.172 5.774 1.00 0.00 H new ATOM 0 HA TYR A 39 3.078 -0.914 3.631 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.980 -1.891 3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.065 -1.463 2.218 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.586 -0.141 5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.585 0.861 1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.178 2.245 5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.175 3.247 2.000 1.00 0.00 H new ATOM 0 HH TYR A 39 6.639 4.664 3.166 1.00 0.00 H new ATOM 601 N ARG A 40 3.832 -3.869 4.742 1.00 0.00 N ATOM 602 CA ARG A 40 3.458 -5.308 4.588 1.00 0.00 C ATOM 603 C ARG A 40 1.961 -5.469 4.879 1.00 0.00 C ATOM 604 O ARG A 40 1.280 -6.253 4.245 1.00 0.00 O ATOM 605 CB ARG A 40 4.287 -6.165 5.559 1.00 0.00 C ATOM 606 CG ARG A 40 3.874 -7.646 5.462 1.00 0.00 C ATOM 607 CD ARG A 40 4.053 -8.157 4.028 1.00 0.00 C ATOM 608 NE ARG A 40 5.488 -8.042 3.625 1.00 0.00 N ATOM 609 CZ ARG A 40 6.377 -8.954 3.968 1.00 0.00 C ATOM 610 NH1 ARG A 40 6.052 -9.993 4.705 1.00 0.00 N ATOM 611 NH2 ARG A 40 7.613 -8.817 3.573 1.00 0.00 N ATOM 0 H ARG A 40 4.359 -3.644 5.586 1.00 0.00 H new ATOM 0 HA ARG A 40 3.664 -5.639 3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.348 -6.062 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.146 -5.808 6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.477 -8.244 6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.834 -7.761 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.728 -9.195 3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.427 -7.581 3.346 1.00 0.00 H new ATOM 0 HE ARG A 40 5.787 -7.239 3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.091 -10.109 5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.761 -10.683 4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.881 -8.012 3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.311 -9.515 3.831 1.00 0.00 H new ATOM 625 N LYS A 41 1.450 -4.731 5.831 1.00 0.00 N ATOM 626 CA LYS A 41 0.000 -4.832 6.165 1.00 0.00 C ATOM 627 C LYS A 41 -0.817 -4.086 5.109 1.00 0.00 C ATOM 628 O LYS A 41 -1.936 -4.454 4.802 1.00 0.00 O ATOM 629 CB LYS A 41 -0.251 -4.206 7.540 1.00 0.00 C ATOM 630 CG LYS A 41 0.362 -5.094 8.625 1.00 0.00 C ATOM 631 CD LYS A 41 0.096 -4.477 9.999 1.00 0.00 C ATOM 632 CE LYS A 41 -1.345 -4.770 10.420 1.00 0.00 C ATOM 633 NZ LYS A 41 -1.392 -6.057 11.168 1.00 0.00 N ATOM 0 H LYS A 41 1.977 -4.062 6.392 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.298 -5.880 6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.186 -3.208 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.322 -4.093 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.066 -6.095 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.435 -5.197 8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.791 -4.885 10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.264 -3.401 9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.725 -3.961 11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.988 -4.824 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.372 -6.256 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.046 -6.826 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.791 -5.989 12.014 1.00 0.00 H new ATOM 647 N ALA A 42 -0.262 -3.041 4.550 1.00 0.00 N ATOM 648 CA ALA A 42 -0.995 -2.261 3.508 1.00 0.00 C ATOM 649 C ALA A 42 -0.781 -2.903 2.135 1.00 0.00 C ATOM 650 O ALA A 42 -1.603 -2.775 1.248 1.00 0.00 O ATOM 651 CB ALA A 42 -0.468 -0.826 3.483 1.00 0.00 C ATOM 0 H ALA A 42 0.671 -2.693 4.772 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.059 -2.258 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.002 -0.255 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.622 -0.365 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.597 -0.833 3.250 1.00 0.00 H new ATOM 657 N ALA A 43 0.319 -3.592 1.953 1.00 0.00 N ATOM 658 CA ALA A 43 0.589 -4.244 0.638 1.00 0.00 C ATOM 659 C ALA A 43 -0.307 -5.474 0.481 1.00 0.00 C ATOM 660 O ALA A 43 -0.644 -5.865 -0.620 1.00 0.00 O ATOM 661 CB ALA A 43 2.057 -4.672 0.574 1.00 0.00 C ATOM 0 H ALA A 43 1.041 -3.730 2.660 1.00 0.00 H new ATOM 0 HA ALA A 43 0.379 -3.538 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.256 -5.148 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.696 -3.796 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.266 -5.377 1.379 1.00 0.00 H new ATOM 667 N SER A 44 -0.690 -6.088 1.572 1.00 0.00 N ATOM 668 CA SER A 44 -1.562 -7.299 1.490 1.00 0.00 C ATOM 669 C SER A 44 -3.023 -6.879 1.311 1.00 0.00 C ATOM 670 O SER A 44 -3.736 -7.424 0.489 1.00 0.00 O ATOM 671 CB SER A 44 -1.421 -8.113 2.777 1.00 0.00 C ATOM 672 OG SER A 44 -2.199 -9.298 2.670 1.00 0.00 O ATOM 0 H SER A 44 -0.436 -5.802 2.518 1.00 0.00 H new ATOM 0 HA SER A 44 -1.257 -7.904 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.375 -8.365 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.751 -7.523 3.632 1.00 0.00 H new ATOM 0 HG SER A 44 -2.110 -9.823 3.493 1.00 0.00 H new ATOM 678 N VAL A 45 -3.475 -5.921 2.079 1.00 0.00 N ATOM 679 CA VAL A 45 -4.894 -5.465 1.965 1.00 0.00 C ATOM 680 C VAL A 45 -5.133 -4.855 0.577 1.00 0.00 C ATOM 681 O VAL A 45 -6.203 -4.986 0.014 1.00 0.00 O ATOM 682 CB VAL A 45 -5.177 -4.424 3.061 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.218 -3.243 2.911 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.623 -3.922 2.954 1.00 0.00 C ATOM 0 H VAL A 45 -2.921 -5.433 2.783 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.566 -6.313 2.092 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.032 -4.892 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.422 -2.508 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.190 -3.595 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.357 -2.783 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.811 -3.186 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.777 -3.463 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.309 -4.761 3.073 1.00 0.00 H new ATOM 694 N ILE A 46 -4.150 -4.188 0.029 1.00 0.00 N ATOM 695 CA ILE A 46 -4.323 -3.563 -1.317 1.00 0.00 C ATOM 696 C ILE A 46 -4.026 -4.594 -2.412 1.00 0.00 C ATOM 697 O ILE A 46 -4.560 -4.518 -3.503 1.00 0.00 O ATOM 698 CB ILE A 46 -3.369 -2.372 -1.449 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.622 -1.394 -0.298 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.615 -1.659 -2.782 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.551 -0.301 -0.305 1.00 0.00 C ATOM 0 H ILE A 46 -3.234 -4.049 0.456 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.351 -3.218 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.339 -2.727 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.611 -0.948 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.607 -1.925 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.935 -0.812 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.441 -2.354 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.645 -1.303 -2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.734 0.393 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.567 -0.755 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.588 0.238 -1.252 1.00 0.00 H new ATOM 713 N ALA A 47 -3.185 -5.557 -2.129 1.00 0.00 N ATOM 714 CA ALA A 47 -2.856 -6.595 -3.153 1.00 0.00 C ATOM 715 C ALA A 47 -3.855 -7.755 -3.062 1.00 0.00 C ATOM 716 O ALA A 47 -4.036 -8.497 -4.009 1.00 0.00 O ATOM 717 CB ALA A 47 -1.442 -7.125 -2.911 1.00 0.00 C ATOM 0 H ALA A 47 -2.712 -5.669 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.914 -6.146 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.204 -7.882 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.728 -6.305 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.384 -7.567 -1.916 1.00 0.00 H new ATOM 723 N LYS A 48 -4.504 -7.917 -1.933 1.00 0.00 N ATOM 724 CA LYS A 48 -5.491 -9.029 -1.786 1.00 0.00 C ATOM 725 C LYS A 48 -6.916 -8.470 -1.863 1.00 0.00 C ATOM 726 O LYS A 48 -7.854 -9.083 -1.388 1.00 0.00 O ATOM 727 CB LYS A 48 -5.285 -9.713 -0.432 1.00 0.00 C ATOM 728 CG LYS A 48 -5.657 -11.193 -0.547 1.00 0.00 C ATOM 729 CD LYS A 48 -4.452 -11.985 -1.059 1.00 0.00 C ATOM 730 CE LYS A 48 -4.939 -13.187 -1.870 1.00 0.00 C ATOM 731 NZ LYS A 48 -3.768 -13.888 -2.469 1.00 0.00 N ATOM 0 H LYS A 48 -4.392 -7.327 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.344 -9.751 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.247 -9.611 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.899 -9.231 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.971 -11.576 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.501 -11.315 -1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.820 -11.347 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.842 -12.321 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.497 -13.870 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.620 -12.858 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.098 -14.706 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.254 -13.234 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.134 -14.214 -1.712 1.00 0.00 H new ATOM 745 N TYR A 49 -7.085 -7.315 -2.459 1.00 0.00 N ATOM 746 CA TYR A 49 -8.445 -6.715 -2.572 1.00 0.00 C ATOM 747 C TYR A 49 -9.052 -7.102 -3.932 1.00 0.00 C ATOM 748 O TYR A 49 -8.338 -7.160 -4.914 1.00 0.00 O ATOM 749 CB TYR A 49 -8.322 -5.188 -2.476 1.00 0.00 C ATOM 750 CG TYR A 49 -9.622 -4.582 -1.992 1.00 0.00 C ATOM 751 CD1 TYR A 49 -10.263 -5.099 -0.860 1.00 0.00 C ATOM 752 CD2 TYR A 49 -10.182 -3.494 -2.673 1.00 0.00 C ATOM 753 CE1 TYR A 49 -11.462 -4.533 -0.412 1.00 0.00 C ATOM 754 CE2 TYR A 49 -11.380 -2.926 -2.223 1.00 0.00 C ATOM 755 CZ TYR A 49 -12.020 -3.446 -1.093 1.00 0.00 C ATOM 756 OH TYR A 49 -13.201 -2.887 -0.649 1.00 0.00 O ATOM 0 H TYR A 49 -6.334 -6.762 -2.873 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.087 -7.081 -1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.514 -4.924 -1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.062 -4.776 -3.451 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.832 -5.936 -0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.689 -3.093 -3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.957 -4.936 0.460 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.810 -2.086 -2.748 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.450 -2.141 -1.234 1.00 0.00 H new ATOM 766 N PRO A 50 -10.348 -7.357 -3.971 1.00 0.00 N ATOM 767 CA PRO A 50 -11.067 -7.741 -5.225 1.00 0.00 C ATOM 768 C PRO A 50 -11.519 -6.499 -6.001 1.00 0.00 C ATOM 769 O PRO A 50 -12.270 -6.603 -6.954 1.00 0.00 O ATOM 770 CB PRO A 50 -12.271 -8.521 -4.718 1.00 0.00 C ATOM 771 CG PRO A 50 -12.535 -8.069 -3.292 1.00 0.00 C ATOM 772 CD PRO A 50 -11.302 -7.303 -2.805 1.00 0.00 C ATOM 0 HA PRO A 50 -10.442 -8.313 -5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.142 -8.336 -5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.076 -9.593 -4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.420 -7.434 -3.251 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.729 -8.928 -2.649 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.550 -6.275 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.871 -7.765 -1.917 1.00 0.00 H new ATOM 780 N HIS A 51 -11.082 -5.325 -5.603 1.00 0.00 N ATOM 781 CA HIS A 51 -11.512 -4.089 -6.328 1.00 0.00 C ATOM 782 C HIS A 51 -10.378 -3.063 -6.308 1.00 0.00 C ATOM 783 O HIS A 51 -9.326 -3.300 -5.744 1.00 0.00 O ATOM 784 CB HIS A 51 -12.760 -3.503 -5.649 1.00 0.00 C ATOM 785 CG HIS A 51 -13.759 -4.603 -5.397 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.488 -5.191 -6.421 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.135 -5.256 -4.249 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.253 -6.152 -5.872 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.078 -6.233 -4.551 1.00 0.00 N ATOM 0 H HIS A 51 -10.452 -5.172 -4.815 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.751 -4.338 -7.362 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.485 -3.025 -4.709 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.203 -2.733 -6.281 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.756 -5.043 -3.260 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.928 -6.782 -6.433 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.537 -6.873 -3.903 1.00 0.00 H new ATOM 797 N LYS A 52 -10.583 -1.927 -6.926 1.00 0.00 N ATOM 798 CA LYS A 52 -9.520 -0.881 -6.955 1.00 0.00 C ATOM 799 C LYS A 52 -9.799 0.168 -5.877 1.00 0.00 C ATOM 800 O LYS A 52 -10.822 0.135 -5.217 1.00 0.00 O ATOM 801 CB LYS A 52 -9.503 -0.207 -8.329 1.00 0.00 C ATOM 802 CG LYS A 52 -10.904 0.311 -8.661 1.00 0.00 C ATOM 803 CD LYS A 52 -10.807 1.383 -9.749 1.00 0.00 C ATOM 804 CE LYS A 52 -12.040 1.307 -10.651 1.00 0.00 C ATOM 805 NZ LYS A 52 -13.087 2.237 -10.140 1.00 0.00 N ATOM 0 H LYS A 52 -11.445 -1.680 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.553 -1.346 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.789 0.616 -8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.176 -0.916 -9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.536 -0.510 -9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.371 0.725 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.736 2.371 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.902 1.237 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.772 1.571 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.424 0.287 -10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.926 2.186 -10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.349 1.966 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.717 3.209 -10.139 1.00 0.00 H new ATOM 819 N ILE A 53 -8.895 1.097 -5.697 1.00 0.00 N ATOM 820 CA ILE A 53 -9.095 2.157 -4.666 1.00 0.00 C ATOM 821 C ILE A 53 -8.784 3.525 -5.276 1.00 0.00 C ATOM 822 O ILE A 53 -7.638 3.866 -5.503 1.00 0.00 O ATOM 823 CB ILE A 53 -8.157 1.900 -3.484 1.00 0.00 C ATOM 824 CG1 ILE A 53 -8.370 0.476 -2.966 1.00 0.00 C ATOM 825 CG2 ILE A 53 -8.460 2.899 -2.365 1.00 0.00 C ATOM 826 CD1 ILE A 53 -7.333 0.165 -1.886 1.00 0.00 C ATOM 0 H ILE A 53 -8.024 1.166 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.129 2.140 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.123 2.020 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.376 0.372 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.282 -0.237 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.792 2.716 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.310 3.914 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.494 2.779 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.485 -0.849 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.332 0.252 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.442 0.871 -1.063 1.00 0.00 H new ATOM 838 N LYS A 54 -9.798 4.309 -5.543 1.00 0.00 N ATOM 839 CA LYS A 54 -9.572 5.658 -6.139 1.00 0.00 C ATOM 840 C LYS A 54 -9.623 6.717 -5.035 1.00 0.00 C ATOM 841 O LYS A 54 -10.071 7.828 -5.249 1.00 0.00 O ATOM 842 CB LYS A 54 -10.659 5.950 -7.177 1.00 0.00 C ATOM 843 CG LYS A 54 -12.043 5.750 -6.548 1.00 0.00 C ATOM 844 CD LYS A 54 -12.596 4.378 -6.943 1.00 0.00 C ATOM 845 CE LYS A 54 -13.612 3.917 -5.897 1.00 0.00 C ATOM 846 NZ LYS A 54 -12.918 3.115 -4.849 1.00 0.00 N ATOM 0 H LYS A 54 -10.775 4.071 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.595 5.682 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.560 6.972 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.541 5.290 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.974 5.826 -5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.721 6.536 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.068 4.433 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.784 3.655 -7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.101 4.780 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.392 3.320 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.610 2.517 -4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.196 2.513 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.463 3.755 -4.167 1.00 0.00 H new ATOM 860 N SER A 55 -9.164 6.379 -3.856 1.00 0.00 N ATOM 861 CA SER A 55 -9.181 7.358 -2.731 1.00 0.00 C ATOM 862 C SER A 55 -8.290 6.845 -1.597 1.00 0.00 C ATOM 863 O SER A 55 -8.278 5.668 -1.291 1.00 0.00 O ATOM 864 CB SER A 55 -10.612 7.522 -2.218 1.00 0.00 C ATOM 865 OG SER A 55 -10.715 8.741 -1.493 1.00 0.00 O ATOM 0 H SER A 55 -8.777 5.464 -3.625 1.00 0.00 H new ATOM 0 HA SER A 55 -8.808 8.320 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.312 7.522 -3.053 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.880 6.681 -1.578 1.00 0.00 H new ATOM 0 HG SER A 55 -11.632 8.850 -1.164 1.00 0.00 H new ATOM 871 N GLY A 56 -7.545 7.722 -0.974 1.00 0.00 N ATOM 872 CA GLY A 56 -6.650 7.294 0.142 1.00 0.00 C ATOM 873 C GLY A 56 -7.497 6.805 1.317 1.00 0.00 C ATOM 874 O GLY A 56 -7.171 5.825 1.961 1.00 0.00 O ATOM 0 H GLY A 56 -7.518 8.718 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.985 6.499 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.019 8.126 0.456 1.00 0.00 H new ATOM 878 N ALA A 57 -8.583 7.480 1.599 1.00 0.00 N ATOM 879 CA ALA A 57 -9.460 7.062 2.732 1.00 0.00 C ATOM 880 C ALA A 57 -10.027 5.667 2.450 1.00 0.00 C ATOM 881 O ALA A 57 -10.285 4.899 3.357 1.00 0.00 O ATOM 882 CB ALA A 57 -10.610 8.059 2.880 1.00 0.00 C ATOM 0 H ALA A 57 -8.900 8.305 1.091 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.878 7.039 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.251 7.755 3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.207 9.052 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.192 8.082 1.959 1.00 0.00 H new ATOM 888 N GLU A 58 -10.219 5.339 1.198 1.00 0.00 N ATOM 889 CA GLU A 58 -10.767 3.997 0.844 1.00 0.00 C ATOM 890 C GLU A 58 -9.738 2.912 1.178 1.00 0.00 C ATOM 891 O GLU A 58 -10.088 1.769 1.410 1.00 0.00 O ATOM 892 CB GLU A 58 -11.086 3.955 -0.652 1.00 0.00 C ATOM 893 CG GLU A 58 -12.557 4.313 -0.874 1.00 0.00 C ATOM 894 CD GLU A 58 -12.702 5.103 -2.177 1.00 0.00 C ATOM 895 OE1 GLU A 58 -11.965 4.816 -3.105 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.547 5.981 -2.223 1.00 0.00 O ATOM 0 H GLU A 58 -10.019 5.946 0.403 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.677 3.818 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.446 4.654 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.879 2.962 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.160 3.406 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.929 4.903 -0.036 1.00 0.00 H new ATOM 903 N ALA A 59 -8.475 3.259 1.206 1.00 0.00 N ATOM 904 CA ALA A 59 -7.424 2.249 1.525 1.00 0.00 C ATOM 905 C ALA A 59 -7.323 2.075 3.044 1.00 0.00 C ATOM 906 O ALA A 59 -6.991 1.013 3.532 1.00 0.00 O ATOM 907 CB ALA A 59 -6.077 2.726 0.979 1.00 0.00 C ATOM 0 H ALA A 59 -8.128 4.200 1.021 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.688 1.296 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.308 1.989 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.146 2.850 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.816 3.680 1.438 1.00 0.00 H new ATOM 913 N LYS A 60 -7.603 3.114 3.789 1.00 0.00 N ATOM 914 CA LYS A 60 -7.519 3.021 5.278 1.00 0.00 C ATOM 915 C LYS A 60 -8.713 2.231 5.822 1.00 0.00 C ATOM 916 O LYS A 60 -8.580 1.458 6.753 1.00 0.00 O ATOM 917 CB LYS A 60 -7.530 4.431 5.874 1.00 0.00 C ATOM 918 CG LYS A 60 -7.235 4.353 7.374 1.00 0.00 C ATOM 919 CD LYS A 60 -8.550 4.289 8.152 1.00 0.00 C ATOM 920 CE LYS A 60 -8.319 4.772 9.585 1.00 0.00 C ATOM 921 NZ LYS A 60 -9.565 5.409 10.100 1.00 0.00 N ATOM 0 H LYS A 60 -7.887 4.025 3.429 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.597 2.510 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.785 5.053 5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.499 4.900 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.629 3.473 7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.657 5.223 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.303 4.908 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.932 3.268 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.036 3.934 10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.495 5.485 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.410 5.738 11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.816 6.218 9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.340 4.715 10.088 1.00 0.00 H new ATOM 935 N LYS A 61 -9.875 2.424 5.253 1.00 0.00 N ATOM 936 CA LYS A 61 -11.086 1.692 5.738 1.00 0.00 C ATOM 937 C LYS A 61 -10.874 0.179 5.612 1.00 0.00 C ATOM 938 O LYS A 61 -11.475 -0.599 6.330 1.00 0.00 O ATOM 939 CB LYS A 61 -12.299 2.103 4.898 1.00 0.00 C ATOM 940 CG LYS A 61 -12.004 1.856 3.416 1.00 0.00 C ATOM 941 CD LYS A 61 -13.314 1.859 2.625 1.00 0.00 C ATOM 942 CE LYS A 61 -13.821 0.425 2.468 1.00 0.00 C ATOM 943 NZ LYS A 61 -15.274 0.444 2.141 1.00 0.00 N ATOM 0 H LYS A 61 -10.039 3.058 4.471 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.257 1.943 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.176 1.533 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.529 3.156 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.335 2.627 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.494 0.901 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.060 2.465 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.158 2.310 1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.267 -0.084 1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.652 -0.134 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.619 -0.531 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.796 0.914 2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.423 0.963 1.252 1.00 0.00 H new ATOM 957 N LEU A 62 -10.031 -0.242 4.702 1.00 0.00 N ATOM 958 CA LEU A 62 -9.788 -1.703 4.523 1.00 0.00 C ATOM 959 C LEU A 62 -8.993 -2.241 5.725 1.00 0.00 C ATOM 960 O LEU A 62 -8.248 -1.504 6.343 1.00 0.00 O ATOM 961 CB LEU A 62 -8.991 -1.939 3.236 1.00 0.00 C ATOM 962 CG LEU A 62 -9.691 -1.261 2.056 1.00 0.00 C ATOM 963 CD1 LEU A 62 -8.672 -0.985 0.949 1.00 0.00 C ATOM 964 CD2 LEU A 62 -10.786 -2.184 1.516 1.00 0.00 C ATOM 0 H LEU A 62 -9.501 0.365 4.076 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.744 -2.223 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.981 -1.544 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.896 -3.008 3.048 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.134 -0.322 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.170 -0.502 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.888 -0.331 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.231 -1.925 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.286 -1.703 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.340 -3.122 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.513 -2.386 2.303 1.00 0.00 H new ATOM 976 N PRO A 63 -9.168 -3.515 6.029 1.00 0.00 N ATOM 977 CA PRO A 63 -8.471 -4.186 7.174 1.00 0.00 C ATOM 978 C PRO A 63 -7.024 -4.505 6.800 1.00 0.00 C ATOM 979 O PRO A 63 -6.753 -5.410 6.034 1.00 0.00 O ATOM 980 CB PRO A 63 -9.276 -5.457 7.396 1.00 0.00 C ATOM 981 CG PRO A 63 -9.974 -5.776 6.088 1.00 0.00 C ATOM 982 CD PRO A 63 -10.068 -4.476 5.289 1.00 0.00 C ATOM 0 HA PRO A 63 -8.422 -3.566 8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.625 -6.278 7.695 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.003 -5.318 8.197 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.418 -6.530 5.530 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.967 -6.185 6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.738 -4.617 4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.093 -4.108 5.247 1.00 0.00 H new ATOM 990 N GLY A 64 -6.097 -3.756 7.337 1.00 0.00 N ATOM 991 CA GLY A 64 -4.659 -3.990 7.024 1.00 0.00 C ATOM 992 C GLY A 64 -3.952 -2.643 6.872 1.00 0.00 C ATOM 993 O GLY A 64 -2.778 -2.514 7.165 1.00 0.00 O ATOM 0 H GLY A 64 -6.277 -2.988 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.192 -4.572 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.564 -4.570 6.106 1.00 0.00 H new ATOM 997 N VAL A 65 -4.661 -1.639 6.417 1.00 0.00 N ATOM 998 CA VAL A 65 -4.035 -0.295 6.243 1.00 0.00 C ATOM 999 C VAL A 65 -4.197 0.513 7.532 1.00 0.00 C ATOM 1000 O VAL A 65 -5.179 0.380 8.238 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.718 0.442 5.090 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.984 1.756 4.816 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.681 -0.432 3.835 1.00 0.00 C ATOM 0 H VAL A 65 -5.646 -1.694 6.159 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.975 -0.415 6.019 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.753 0.654 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.471 2.281 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.008 2.380 5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.948 1.545 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.167 0.092 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.645 -0.643 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.204 -1.369 4.028 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.239 1.351 7.839 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.327 2.176 9.080 1.00 0.00 C ATOM 1015 C GLY A 66 -3.582 3.636 8.702 1.00 0.00 C ATOM 1016 O GLY A 66 -4.233 3.925 7.715 1.00 0.00 O ATOM 0 H GLY A 66 -2.398 1.499 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.131 1.808 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.403 2.093 9.652 1.00 0.00 H new ATOM 1020 N THR A 67 -3.073 4.556 9.481 1.00 0.00 N ATOM 1021 CA THR A 67 -3.280 6.003 9.175 1.00 0.00 C ATOM 1022 C THR A 67 -2.047 6.558 8.460 1.00 0.00 C ATOM 1023 O THR A 67 -2.141 7.474 7.667 1.00 0.00 O ATOM 1024 CB THR A 67 -3.506 6.773 10.478 1.00 0.00 C ATOM 1025 OG1 THR A 67 -2.327 6.713 11.270 1.00 0.00 O ATOM 1026 CG2 THR A 67 -4.673 6.151 11.246 1.00 0.00 C ATOM 0 H THR A 67 -2.522 4.366 10.318 1.00 0.00 H new ATOM 0 HA THR A 67 -4.152 6.116 8.531 1.00 0.00 H new ATOM 0 HB THR A 67 -3.740 7.813 10.251 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.468 7.207 12.105 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.832 6.701 12.174 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.576 6.198 10.637 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.444 5.110 11.476 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.891 6.009 8.739 1.00 0.00 N ATOM 1035 CA LYS A 68 0.355 6.499 8.081 1.00 0.00 C ATOM 1036 C LYS A 68 0.438 5.941 6.659 1.00 0.00 C ATOM 1037 O LYS A 68 0.505 6.683 5.696 1.00 0.00 O ATOM 1038 CB LYS A 68 1.572 6.033 8.883 1.00 0.00 C ATOM 1039 CG LYS A 68 2.766 6.937 8.571 1.00 0.00 C ATOM 1040 CD LYS A 68 4.060 6.128 8.674 1.00 0.00 C ATOM 1041 CE LYS A 68 5.162 6.824 7.873 1.00 0.00 C ATOM 1042 NZ LYS A 68 5.818 7.857 8.724 1.00 0.00 N ATOM 0 H LYS A 68 -0.758 5.240 9.396 1.00 0.00 H new ATOM 0 HA LYS A 68 0.339 7.588 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.350 6.061 9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.810 4.999 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.666 7.357 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.792 7.775 9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.359 6.032 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.902 5.119 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.898 6.094 7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.741 7.287 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.567 8.330 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.112 8.559 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.233 7.403 9.563 1.00 0.00 H new ATOM 1056 N ILE A 69 0.437 4.638 6.521 1.00 0.00 N ATOM 1057 CA ILE A 69 0.519 4.025 5.162 1.00 0.00 C ATOM 1058 C ILE A 69 -0.698 4.444 4.335 1.00 0.00 C ATOM 1059 O ILE A 69 -0.608 4.635 3.137 1.00 0.00 O ATOM 1060 CB ILE A 69 0.548 2.500 5.293 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.697 2.080 6.223 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.747 1.869 3.911 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.045 2.547 5.658 1.00 0.00 C ATOM 0 H ILE A 69 0.383 3.973 7.293 1.00 0.00 H new ATOM 0 HA ILE A 69 1.427 4.366 4.665 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.397 2.158 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.544 2.506 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.701 0.996 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.767 0.783 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.074 2.160 3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.690 2.214 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.847 2.241 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.203 2.099 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.044 3.633 5.566 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.834 4.587 4.969 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.067 4.995 4.228 1.00 0.00 C ATOM 1077 C ALA A 70 -2.841 6.360 3.572 1.00 0.00 C ATOM 1078 O ALA A 70 -3.230 6.586 2.442 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.243 5.085 5.202 1.00 0.00 C ATOM 0 H ALA A 70 -1.962 4.439 5.970 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.289 4.255 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.141 5.382 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.405 4.113 5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.022 5.824 5.972 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.207 7.266 4.275 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.943 8.616 3.705 1.00 0.00 C ATOM 1087 C GLU A 71 -1.082 8.479 2.448 1.00 0.00 C ATOM 1088 O GLU A 71 -1.258 9.197 1.481 1.00 0.00 O ATOM 1089 CB GLU A 71 -1.204 9.470 4.738 1.00 0.00 C ATOM 1090 CG GLU A 71 -2.181 9.909 5.831 1.00 0.00 C ATOM 1091 CD GLU A 71 -2.970 11.128 5.351 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -2.381 12.194 5.266 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -4.149 10.976 5.077 1.00 0.00 O ATOM 0 H GLU A 71 -1.861 7.124 5.224 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.889 9.093 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.384 8.901 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.765 10.343 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.863 9.094 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.637 10.151 6.744 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.155 7.553 2.456 1.00 0.00 N ATOM 1101 CA LYS A 72 0.722 7.352 1.265 1.00 0.00 C ATOM 1102 C LYS A 72 -0.134 6.923 0.071 1.00 0.00 C ATOM 1103 O LYS A 72 0.173 7.232 -1.065 1.00 0.00 O ATOM 1104 CB LYS A 72 1.755 6.265 1.570 1.00 0.00 C ATOM 1105 CG LYS A 72 3.037 6.912 2.096 1.00 0.00 C ATOM 1106 CD LYS A 72 3.918 7.333 0.918 1.00 0.00 C ATOM 1107 CE LYS A 72 5.264 7.838 1.441 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.189 6.684 1.628 1.00 0.00 N ATOM 0 H LYS A 72 0.031 6.927 3.239 1.00 0.00 H new ATOM 0 HA LYS A 72 1.236 8.284 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.358 5.568 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.969 5.689 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.794 7.779 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.575 6.211 2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.071 6.489 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.423 8.115 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.694 8.553 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.125 8.363 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.873 6.905 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.642 5.841 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.698 6.500 0.740 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.208 6.217 0.324 1.00 0.00 N ATOM 1123 CA ILE A 73 -2.094 5.766 -0.790 1.00 0.00 C ATOM 1124 C ILE A 73 -2.698 6.993 -1.476 1.00 0.00 C ATOM 1125 O ILE A 73 -2.716 7.091 -2.688 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.216 4.883 -0.227 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.609 3.700 0.547 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -4.088 4.357 -1.372 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.740 2.841 -0.381 1.00 0.00 C ATOM 0 H ILE A 73 -1.509 5.934 1.257 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.515 5.191 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.832 5.477 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.008 4.071 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.405 3.091 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.883 3.731 -0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.527 5.197 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.475 3.768 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.318 2.009 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.351 2.454 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.932 3.449 -0.789 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.192 7.933 -0.706 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.800 9.167 -1.298 1.00 0.00 C ATOM 1143 C ASP A 74 -2.796 9.843 -2.239 1.00 0.00 C ATOM 1144 O ASP A 74 -3.156 10.325 -3.296 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.178 10.136 -0.177 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.146 11.190 -0.717 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -4.674 12.180 -1.251 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.342 10.990 -0.587 1.00 0.00 O ATOM 0 H ASP A 74 -3.200 7.898 0.313 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.692 8.892 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.639 9.592 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.284 10.617 0.219 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.541 9.868 -1.866 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.508 10.497 -2.741 1.00 0.00 C ATOM 1155 C GLU A 75 -0.416 9.704 -4.047 1.00 0.00 C ATOM 1156 O GLU A 75 -0.142 10.248 -5.099 1.00 0.00 O ATOM 1157 CB GLU A 75 0.847 10.475 -2.032 1.00 0.00 C ATOM 1158 CG GLU A 75 0.797 11.385 -0.803 1.00 0.00 C ATOM 1159 CD GLU A 75 2.218 11.646 -0.302 1.00 0.00 C ATOM 1160 OE1 GLU A 75 2.840 10.711 0.173 1.00 0.00 O ATOM 1161 OE2 GLU A 75 2.662 12.779 -0.402 1.00 0.00 O ATOM 0 H GLU A 75 -1.188 9.479 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.783 11.530 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.096 9.457 -1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.631 10.808 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.310 12.327 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.203 10.919 -0.017 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.653 8.419 -3.979 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.595 7.568 -5.201 1.00 0.00 C ATOM 1170 C PHE A 76 -1.740 7.948 -6.136 1.00 0.00 C ATOM 1171 O PHE A 76 -1.545 8.211 -7.308 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.747 6.095 -4.792 1.00 0.00 C ATOM 1173 CG PHE A 76 0.557 5.370 -5.000 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.704 5.796 -4.327 1.00 0.00 C ATOM 1175 CD2 PHE A 76 0.612 4.273 -5.865 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.916 5.121 -4.519 1.00 0.00 C ATOM 1177 CE2 PHE A 76 1.822 3.598 -6.058 1.00 0.00 C ATOM 1178 CZ PHE A 76 2.974 4.022 -5.385 1.00 0.00 C ATOM 0 H PHE A 76 -0.886 7.920 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 76 0.358 7.717 -5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.048 6.028 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.534 5.624 -5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.657 6.644 -3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.278 3.947 -6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.805 5.448 -4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.867 2.750 -6.726 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.908 3.501 -5.534 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.935 7.957 -5.619 1.00 0.00 N ATOM 1189 CA LEU A 77 -4.119 8.295 -6.451 1.00 0.00 C ATOM 1190 C LEU A 77 -4.135 9.798 -6.760 1.00 0.00 C ATOM 1191 O LEU A 77 -4.735 10.227 -7.728 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.393 7.914 -5.685 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.611 6.390 -5.685 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.622 5.844 -7.116 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.495 5.706 -4.890 1.00 0.00 C ATOM 0 H LEU A 77 -3.143 7.742 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.071 7.744 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.324 8.274 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.253 8.407 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.575 6.181 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.777 4.765 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.428 6.315 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.668 6.063 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.654 4.628 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.532 5.932 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.504 6.071 -3.863 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.485 10.598 -5.949 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.467 12.071 -6.198 1.00 0.00 C ATOM 1209 C ALA A 78 -2.808 12.356 -7.554 1.00 0.00 C ATOM 1210 O ALA A 78 -3.481 12.610 -8.535 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.680 12.767 -5.084 1.00 0.00 C ATOM 0 H ALA A 78 -2.966 10.293 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.489 12.450 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.666 13.842 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.155 12.567 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.658 12.389 -5.070 1.00 0.00 H new ATOM 1217 N THR A 79 -1.500 12.314 -7.614 1.00 0.00 N ATOM 1218 CA THR A 79 -0.796 12.581 -8.903 1.00 0.00 C ATOM 1219 C THR A 79 -0.109 11.300 -9.381 1.00 0.00 C ATOM 1220 O THR A 79 -0.213 10.924 -10.534 1.00 0.00 O ATOM 1221 CB THR A 79 0.255 13.675 -8.693 1.00 0.00 C ATOM 1222 OG1 THR A 79 -0.189 14.566 -7.680 1.00 0.00 O ATOM 1223 CG2 THR A 79 0.461 14.444 -9.999 1.00 0.00 C ATOM 0 H THR A 79 -0.890 12.106 -6.824 1.00 0.00 H new ATOM 0 HA THR A 79 -1.518 12.909 -9.651 1.00 0.00 H new ATOM 0 HB THR A 79 1.198 13.221 -8.390 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.483 15.266 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.209 15.222 -9.849 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.801 13.758 -10.775 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.481 14.900 -10.305 1.00 0.00 H new