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 49 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -136:sc= 1.17 (180deg=-0.458) USER MOD Single : A 16 THR OG1 : rot -130:sc= -1.32! USER MOD Single : A 18 MET CE :methyl 164:sc= -0.0424 (180deg=-0.554) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -3.2 X(o=-3.2,f=-3.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.888 X(o=-0.89,f=-0.41) USER MOD Single : A 34 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-6.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 130:sc=-0.00216 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -86:sc= 0.668 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-3.7) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= -0.563 (180deg=-1.68!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0653) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -2.057 -3.686 -8.505 1.00 0.00 N ATOM 184 CA GLY A 13 -0.764 -4.431 -8.464 1.00 0.00 C ATOM 185 C GLY A 13 0.423 -3.471 -8.640 1.00 0.00 C ATOM 186 O GLY A 13 1.566 -3.887 -8.588 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.673 -4.959 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.748 -5.185 -9.251 1.00 0.00 H new ATOM 190 N GLY A 14 0.173 -2.196 -8.839 1.00 0.00 N ATOM 191 CA GLY A 14 1.297 -1.230 -9.006 1.00 0.00 C ATOM 192 C GLY A 14 1.663 -0.662 -7.640 1.00 0.00 C ATOM 193 O GLY A 14 2.823 -0.504 -7.306 1.00 0.00 O ATOM 0 H GLY A 14 -0.760 -1.788 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.159 -1.727 -9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.007 -0.427 -9.683 1.00 0.00 H new ATOM 197 N ILE A 15 0.670 -0.358 -6.849 1.00 0.00 N ATOM 198 CA ILE A 15 0.925 0.202 -5.493 1.00 0.00 C ATOM 199 C ILE A 15 1.610 -0.859 -4.636 1.00 0.00 C ATOM 200 O ILE A 15 2.623 -0.609 -4.011 1.00 0.00 O ATOM 201 CB ILE A 15 -0.400 0.589 -4.829 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.280 1.392 -5.807 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.109 1.433 -3.592 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.644 0.712 -5.938 1.00 0.00 C ATOM 0 H ILE A 15 -0.315 -0.475 -7.087 1.00 0.00 H new ATOM 0 HA ILE A 15 1.558 1.084 -5.584 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.935 -0.317 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.404 2.414 -5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.797 1.453 -6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.047 1.713 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.497 0.857 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.431 2.333 -3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.268 1.278 -6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.510 -0.301 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.127 0.674 -4.961 1.00 0.00 H new ATOM 216 N THR A 16 1.052 -2.045 -4.598 1.00 0.00 N ATOM 217 CA THR A 16 1.652 -3.137 -3.776 1.00 0.00 C ATOM 218 C THR A 16 3.094 -3.397 -4.224 1.00 0.00 C ATOM 219 O THR A 16 3.939 -3.772 -3.435 1.00 0.00 O ATOM 220 CB THR A 16 0.826 -4.417 -3.938 1.00 0.00 C ATOM 221 OG1 THR A 16 1.453 -5.473 -3.224 1.00 0.00 O ATOM 222 CG2 THR A 16 0.727 -4.789 -5.418 1.00 0.00 C ATOM 0 H THR A 16 0.204 -2.302 -5.103 1.00 0.00 H new ATOM 0 HA THR A 16 1.652 -2.835 -2.729 1.00 0.00 H new ATOM 0 HB THR A 16 -0.177 -4.252 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.539 -6.256 -3.807 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.138 -5.700 -5.526 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.245 -3.979 -5.965 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.727 -4.954 -5.819 1.00 0.00 H new ATOM 230 N ASP A 17 3.379 -3.193 -5.487 1.00 0.00 N ATOM 231 CA ASP A 17 4.766 -3.420 -5.996 1.00 0.00 C ATOM 232 C ASP A 17 5.737 -2.500 -5.252 1.00 0.00 C ATOM 233 O ASP A 17 6.860 -2.868 -4.962 1.00 0.00 O ATOM 234 CB ASP A 17 4.818 -3.113 -7.494 1.00 0.00 C ATOM 235 CG ASP A 17 6.011 -3.834 -8.123 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.252 -4.971 -7.753 1.00 0.00 O ATOM 237 OD2 ASP A 17 6.662 -3.238 -8.965 1.00 0.00 O ATOM 0 H ASP A 17 2.709 -2.878 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 17 5.049 -4.459 -5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.893 -3.432 -7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.905 -2.038 -7.653 1.00 0.00 H new ATOM 242 N MET A 18 5.303 -1.305 -4.936 1.00 0.00 N ATOM 243 CA MET A 18 6.184 -0.352 -4.202 1.00 0.00 C ATOM 244 C MET A 18 6.049 -0.567 -2.686 1.00 0.00 C ATOM 245 O MET A 18 6.867 -0.095 -1.916 1.00 0.00 O ATOM 246 CB MET A 18 5.779 1.083 -4.549 1.00 0.00 C ATOM 247 CG MET A 18 6.590 1.566 -5.752 1.00 0.00 C ATOM 248 SD MET A 18 6.728 3.370 -5.703 1.00 0.00 S ATOM 249 CE MET A 18 6.026 3.696 -7.339 1.00 0.00 C ATOM 0 H MET A 18 4.373 -0.950 -5.157 1.00 0.00 H new ATOM 0 HA MET A 18 7.219 -0.526 -4.495 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.713 1.127 -4.774 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.951 1.737 -3.695 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.582 1.114 -5.740 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.108 1.253 -6.678 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.751 4.748 -7.414 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.764 3.459 -8.105 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.140 3.078 -7.485 1.00 0.00 H new ATOM 259 N LEU A 19 5.035 -1.281 -2.251 1.00 0.00 N ATOM 260 CA LEU A 19 4.861 -1.528 -0.792 1.00 0.00 C ATOM 261 C LEU A 19 5.681 -2.753 -0.415 1.00 0.00 C ATOM 262 O LEU A 19 6.353 -2.782 0.598 1.00 0.00 O ATOM 263 CB LEU A 19 3.382 -1.793 -0.490 1.00 0.00 C ATOM 264 CG LEU A 19 2.635 -0.462 -0.306 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.350 -0.469 -1.138 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.272 -0.274 1.170 1.00 0.00 C ATOM 0 H LEU A 19 4.323 -1.701 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 19 5.191 -0.660 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.933 -2.362 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.289 -2.399 0.411 1.00 0.00 H new ATOM 0 HG LEU A 19 3.279 0.354 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.825 0.477 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.599 -0.600 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.710 -1.289 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.743 0.670 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.633 -1.095 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.182 -0.263 1.770 1.00 0.00 H new ATOM 278 N VAL A 20 5.632 -3.763 -1.240 1.00 0.00 N ATOM 279 CA VAL A 20 6.404 -5.002 -0.971 1.00 0.00 C ATOM 280 C VAL A 20 7.896 -4.713 -1.178 1.00 0.00 C ATOM 281 O VAL A 20 8.745 -5.292 -0.527 1.00 0.00 O ATOM 282 CB VAL A 20 5.939 -6.093 -1.941 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.717 -7.382 -1.685 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.444 -6.355 -1.731 1.00 0.00 C ATOM 0 H VAL A 20 5.082 -3.779 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 20 6.243 -5.338 0.053 1.00 0.00 H new ATOM 0 HB VAL A 20 6.117 -5.762 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.381 -8.153 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.781 -7.200 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.544 -7.714 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.110 -7.131 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.272 -6.682 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.884 -5.439 -1.918 1.00 0.00 H new ATOM 294 N GLU A 21 8.215 -3.821 -2.081 1.00 0.00 N ATOM 295 CA GLU A 21 9.645 -3.485 -2.338 1.00 0.00 C ATOM 296 C GLU A 21 10.248 -2.827 -1.095 1.00 0.00 C ATOM 297 O GLU A 21 11.148 -3.365 -0.472 1.00 0.00 O ATOM 298 CB GLU A 21 9.738 -2.520 -3.522 1.00 0.00 C ATOM 299 CG GLU A 21 11.199 -2.384 -3.958 1.00 0.00 C ATOM 300 CD GLU A 21 11.256 -1.915 -5.413 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.407 -1.125 -5.794 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.148 -2.353 -6.120 1.00 0.00 O ATOM 0 H GLU A 21 7.543 -3.310 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 21 10.195 -4.397 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.133 -2.886 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.339 -1.545 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.717 -1.672 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.712 -3.340 -3.853 1.00 0.00 H new ATOM 309 N LEU A 22 9.760 -1.667 -0.726 1.00 0.00 N ATOM 310 CA LEU A 22 10.310 -0.979 0.478 1.00 0.00 C ATOM 311 C LEU A 22 10.069 -1.855 1.716 1.00 0.00 C ATOM 312 O LEU A 22 10.867 -1.883 2.631 1.00 0.00 O ATOM 313 CB LEU A 22 9.649 0.408 0.640 1.00 0.00 C ATOM 314 CG LEU A 22 8.205 0.280 1.151 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.204 0.241 2.685 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.387 1.481 0.670 1.00 0.00 C ATOM 0 H LEU A 22 9.009 -1.171 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 22 11.383 -0.828 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.231 1.012 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.654 0.930 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 22 7.764 -0.639 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.180 0.150 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.787 -0.614 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.645 1.159 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.363 1.392 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.829 2.400 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.386 1.508 -0.420 1.00 0.00 H new ATOM 328 N ALA A 23 8.969 -2.576 1.739 1.00 0.00 N ATOM 329 CA ALA A 23 8.654 -3.462 2.907 1.00 0.00 C ATOM 330 C ALA A 23 9.851 -4.371 3.198 1.00 0.00 C ATOM 331 O ALA A 23 10.235 -4.561 4.338 1.00 0.00 O ATOM 332 CB ALA A 23 7.434 -4.325 2.582 1.00 0.00 C ATOM 0 H ALA A 23 8.273 -2.588 0.994 1.00 0.00 H new ATOM 0 HA ALA A 23 8.442 -2.844 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.207 -4.968 3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.579 -3.682 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.646 -4.940 1.708 1.00 0.00 H new ATOM 338 N ASN A 24 10.458 -4.912 2.170 1.00 0.00 N ATOM 339 CA ASN A 24 11.650 -5.784 2.373 1.00 0.00 C ATOM 340 C ASN A 24 12.762 -4.929 2.981 1.00 0.00 C ATOM 341 O ASN A 24 13.513 -5.372 3.826 1.00 0.00 O ATOM 342 CB ASN A 24 12.107 -6.352 1.024 1.00 0.00 C ATOM 343 CG ASN A 24 11.643 -7.806 0.894 1.00 0.00 C ATOM 344 OD1 ASN A 24 12.059 -8.658 1.654 1.00 0.00 O ATOM 345 ND2 ASN A 24 10.794 -8.126 -0.044 1.00 0.00 N ATOM 0 H ASN A 24 10.176 -4.785 1.198 1.00 0.00 H new ATOM 0 HA ASN A 24 11.408 -6.614 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.697 -5.755 0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.193 -6.298 0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.479 -9.092 -0.139 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.445 -7.411 -0.682 1.00 0.00 H new ATOM 352 N PHE A 25 12.845 -3.693 2.562 1.00 0.00 N ATOM 353 CA PHE A 25 13.882 -2.771 3.112 1.00 0.00 C ATOM 354 C PHE A 25 13.634 -2.551 4.607 1.00 0.00 C ATOM 355 O PHE A 25 14.536 -2.195 5.343 1.00 0.00 O ATOM 356 CB PHE A 25 13.796 -1.430 2.382 1.00 0.00 C ATOM 357 CG PHE A 25 14.992 -0.581 2.738 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.243 -0.868 2.181 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.848 0.493 3.624 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.354 -0.081 2.512 1.00 0.00 C ATOM 361 CE2 PHE A 25 15.958 1.281 3.953 1.00 0.00 C ATOM 362 CZ PHE A 25 17.211 0.994 3.397 1.00 0.00 C ATOM 0 H PHE A 25 12.234 -3.280 1.857 1.00 0.00 H new ATOM 0 HA PHE A 25 14.871 -3.207 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.761 -1.593 1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.876 -0.914 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.352 -1.696 1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.882 0.714 4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.320 -0.304 2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.848 2.110 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.067 1.602 3.651 1.00 0.00 H new ATOM 372 N GLU A 26 12.422 -2.758 5.064 1.00 0.00 N ATOM 373 CA GLU A 26 12.125 -2.558 6.515 1.00 0.00 C ATOM 374 C GLU A 26 12.650 -3.760 7.304 1.00 0.00 C ATOM 375 O GLU A 26 13.457 -3.619 8.203 1.00 0.00 O ATOM 376 CB GLU A 26 10.608 -2.424 6.746 1.00 0.00 C ATOM 377 CG GLU A 26 9.958 -1.542 5.667 1.00 0.00 C ATOM 378 CD GLU A 26 10.612 -0.156 5.641 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.805 -0.086 5.399 1.00 0.00 O ATOM 380 OE2 GLU A 26 9.904 0.815 5.857 1.00 0.00 O ATOM 0 H GLU A 26 11.629 -3.056 4.496 1.00 0.00 H new ATOM 0 HA GLU A 26 12.612 -1.643 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.147 -3.412 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.424 -1.994 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.059 -2.017 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.891 -1.443 5.864 1.00 0.00 H new ATOM 387 N LYS A 27 12.196 -4.944 6.970 1.00 0.00 N ATOM 388 CA LYS A 27 12.664 -6.163 7.694 1.00 0.00 C ATOM 389 C LYS A 27 14.142 -6.409 7.384 1.00 0.00 C ATOM 390 O LYS A 27 14.910 -6.783 8.251 1.00 0.00 O ATOM 391 CB LYS A 27 11.838 -7.372 7.245 1.00 0.00 C ATOM 392 CG LYS A 27 12.211 -8.590 8.093 1.00 0.00 C ATOM 393 CD LYS A 27 11.507 -9.831 7.543 1.00 0.00 C ATOM 394 CE LYS A 27 11.661 -10.987 8.533 1.00 0.00 C ATOM 395 NZ LYS A 27 11.340 -12.273 7.850 1.00 0.00 N ATOM 0 H LYS A 27 11.520 -5.117 6.226 1.00 0.00 H new ATOM 0 HA LYS A 27 12.540 -6.017 8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.774 -7.157 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.022 -7.580 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.291 -8.737 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.922 -8.426 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.451 -9.619 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.933 -10.106 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.679 -11.014 8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.998 -10.840 9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.445 -13.059 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.361 -12.245 7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.990 -12.413 7.050 1.00 0.00 H new ATOM 409 N ASN A 28 14.549 -6.198 6.155 1.00 0.00 N ATOM 410 CA ASN A 28 15.982 -6.412 5.782 1.00 0.00 C ATOM 411 C ASN A 28 16.877 -5.513 6.642 1.00 0.00 C ATOM 412 O ASN A 28 18.033 -5.816 6.875 1.00 0.00 O ATOM 413 CB ASN A 28 16.187 -6.068 4.305 1.00 0.00 C ATOM 414 CG ASN A 28 15.559 -7.159 3.436 1.00 0.00 C ATOM 415 OD1 ASN A 28 15.521 -8.312 3.818 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.060 -6.843 2.272 1.00 0.00 N ATOM 0 H ASN A 28 13.948 -5.886 5.392 1.00 0.00 H new ATOM 0 HA ASN A 28 16.244 -7.456 5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.734 -5.103 4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.251 -5.980 4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.639 -7.563 1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.091 -5.876 1.949 1.00 0.00 H new ATOM 423 N VAL A 29 16.345 -4.416 7.121 1.00 0.00 N ATOM 424 CA VAL A 29 17.149 -3.497 7.974 1.00 0.00 C ATOM 425 C VAL A 29 16.993 -3.936 9.438 1.00 0.00 C ATOM 426 O VAL A 29 16.119 -4.714 9.769 1.00 0.00 O ATOM 427 CB VAL A 29 16.645 -2.058 7.763 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.287 -1.101 8.775 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.016 -1.605 6.349 1.00 0.00 C ATOM 0 H VAL A 29 15.383 -4.119 6.955 1.00 0.00 H new ATOM 0 HA VAL A 29 18.206 -3.532 7.709 1.00 0.00 H new ATOM 0 HB VAL A 29 15.564 -2.042 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.916 -0.090 8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.032 -1.417 9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.370 -1.115 8.652 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.663 -0.586 6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.099 -1.637 6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.550 -2.269 5.620 1.00 0.00 H new ATOM 439 N SER A 30 17.853 -3.466 10.307 1.00 0.00 N ATOM 440 CA SER A 30 17.780 -3.876 11.741 1.00 0.00 C ATOM 441 C SER A 30 16.644 -3.142 12.465 1.00 0.00 C ATOM 442 O SER A 30 15.655 -3.740 12.843 1.00 0.00 O ATOM 443 CB SER A 30 19.114 -3.559 12.425 1.00 0.00 C ATOM 444 OG SER A 30 19.477 -4.644 13.268 1.00 0.00 O ATOM 0 H SER A 30 18.605 -2.814 10.083 1.00 0.00 H new ATOM 0 HA SER A 30 17.580 -4.947 11.788 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.888 -3.389 11.677 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.028 -2.642 13.009 1.00 0.00 H new ATOM 0 HG SER A 30 20.331 -4.446 13.706 1.00 0.00 H new ATOM 450 N GLN A 31 16.790 -1.859 12.682 1.00 0.00 N ATOM 451 CA GLN A 31 15.732 -1.091 13.409 1.00 0.00 C ATOM 452 C GLN A 31 14.638 -0.634 12.435 1.00 0.00 C ATOM 453 O GLN A 31 14.406 0.549 12.260 1.00 0.00 O ATOM 454 CB GLN A 31 16.368 0.127 14.084 1.00 0.00 C ATOM 455 CG GLN A 31 15.633 0.428 15.392 1.00 0.00 C ATOM 456 CD GLN A 31 15.931 -0.673 16.410 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.940 -0.635 17.087 1.00 0.00 O ATOM 458 NE2 GLN A 31 15.090 -1.661 16.550 1.00 0.00 N ATOM 0 H GLN A 31 17.597 -1.309 12.387 1.00 0.00 H new ATOM 0 HA GLN A 31 15.278 -1.734 14.163 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.423 -0.064 14.283 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.320 0.990 13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.948 1.395 15.784 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.560 0.491 15.212 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.243 -1.694 15.983 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.280 -2.400 17.227 1.00 0.00 H new ATOM 467 N ALA A 32 13.957 -1.562 11.811 1.00 0.00 N ATOM 468 CA ALA A 32 12.870 -1.180 10.862 1.00 0.00 C ATOM 469 C ALA A 32 11.801 -2.280 10.831 1.00 0.00 C ATOM 470 O ALA A 32 11.446 -2.787 9.782 1.00 0.00 O ATOM 471 CB ALA A 32 13.457 -0.984 9.464 1.00 0.00 C ATOM 0 H ALA A 32 14.107 -2.565 11.918 1.00 0.00 H new ATOM 0 HA ALA A 32 12.412 -0.248 11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.663 -0.705 8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.208 -0.194 9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.920 -1.913 9.130 1.00 0.00 H new ATOM 477 N ILE A 33 11.285 -2.649 11.977 1.00 0.00 N ATOM 478 CA ILE A 33 10.237 -3.711 12.024 1.00 0.00 C ATOM 479 C ILE A 33 8.853 -3.048 12.159 1.00 0.00 C ATOM 480 O ILE A 33 7.864 -3.571 11.694 1.00 0.00 O ATOM 481 CB ILE A 33 10.568 -4.693 13.191 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.733 -6.115 12.633 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.483 -4.713 14.280 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.875 -6.148 11.614 1.00 0.00 C ATOM 0 H ILE A 33 11.546 -2.259 12.883 1.00 0.00 H new ATOM 0 HA ILE A 33 10.219 -4.297 11.105 1.00 0.00 H new ATOM 0 HB ILE A 33 11.492 -4.340 13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.939 -6.812 13.445 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.805 -6.440 12.162 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.768 -5.414 15.065 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.376 -3.715 14.706 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.534 -5.024 13.843 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.985 -7.160 11.224 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.651 -5.465 10.794 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.803 -5.843 12.098 1.00 0.00 H new ATOM 496 N HIS A 34 8.787 -1.903 12.786 1.00 0.00 N ATOM 497 CA HIS A 34 7.465 -1.204 12.935 1.00 0.00 C ATOM 498 C HIS A 34 6.956 -0.821 11.543 1.00 0.00 C ATOM 499 O HIS A 34 5.818 -1.082 11.189 1.00 0.00 O ATOM 500 CB HIS A 34 7.588 0.063 13.812 1.00 0.00 C ATOM 501 CG HIS A 34 8.897 0.771 13.565 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.041 0.463 14.282 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.264 1.754 12.680 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.033 1.240 13.820 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.615 2.049 12.842 1.00 0.00 N ATOM 0 H HIS A 34 9.583 -1.419 13.201 1.00 0.00 H new ATOM 0 HA HIS A 34 6.765 -1.879 13.428 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.760 0.739 13.598 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.512 -0.211 14.864 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.605 2.227 11.967 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.046 1.215 14.193 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.166 2.734 12.326 1.00 0.00 H new ATOM 513 N LYS A 35 7.801 -0.221 10.746 1.00 0.00 N ATOM 514 CA LYS A 35 7.386 0.168 9.363 1.00 0.00 C ATOM 515 C LYS A 35 7.205 -1.095 8.513 1.00 0.00 C ATOM 516 O LYS A 35 6.481 -1.093 7.536 1.00 0.00 O ATOM 517 CB LYS A 35 8.448 1.074 8.721 1.00 0.00 C ATOM 518 CG LYS A 35 9.854 0.492 8.939 1.00 0.00 C ATOM 519 CD LYS A 35 10.584 1.280 10.038 1.00 0.00 C ATOM 520 CE LYS A 35 11.980 1.684 9.554 1.00 0.00 C ATOM 521 NZ LYS A 35 11.968 3.118 9.149 1.00 0.00 N ATOM 0 H LYS A 35 8.762 0.017 10.992 1.00 0.00 H new ATOM 0 HA LYS A 35 6.445 0.715 9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.251 1.175 7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.391 2.074 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.782 -0.559 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.423 0.535 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.010 2.169 10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.664 0.673 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.712 1.525 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.280 1.060 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.915 3.394 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.281 3.256 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.699 3.706 9.963 1.00 0.00 H new ATOM 535 N TYR A 36 7.852 -2.180 8.880 1.00 0.00 N ATOM 536 CA TYR A 36 7.718 -3.453 8.101 1.00 0.00 C ATOM 537 C TYR A 36 6.234 -3.829 7.975 1.00 0.00 C ATOM 538 O TYR A 36 5.669 -3.797 6.899 1.00 0.00 O ATOM 539 CB TYR A 36 8.478 -4.563 8.836 1.00 0.00 C ATOM 540 CG TYR A 36 8.413 -5.856 8.055 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.746 -5.877 6.696 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.021 -7.034 8.699 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.687 -7.077 5.981 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.961 -8.235 7.986 1.00 0.00 C ATOM 545 CZ TYR A 36 8.295 -8.258 6.625 1.00 0.00 C ATOM 546 OH TYR A 36 8.237 -9.443 5.920 1.00 0.00 O ATOM 0 H TYR A 36 8.470 -2.236 9.690 1.00 0.00 H new ATOM 0 HA TYR A 36 8.133 -3.323 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.518 -4.268 8.977 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.051 -4.709 9.828 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.048 -4.967 6.200 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.764 -7.016 9.748 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.944 -7.094 4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.658 -9.144 8.483 1.00 0.00 H new ATOM 0 HH TYR A 36 7.948 -10.165 6.517 1.00 0.00 H new ATOM 556 N ASN A 37 5.599 -4.174 9.070 1.00 0.00 N ATOM 557 CA ASN A 37 4.148 -4.542 9.028 1.00 0.00 C ATOM 558 C ASN A 37 3.341 -3.410 8.377 1.00 0.00 C ATOM 559 O ASN A 37 2.278 -3.631 7.829 1.00 0.00 O ATOM 560 CB ASN A 37 3.641 -4.774 10.453 1.00 0.00 C ATOM 561 CG ASN A 37 4.218 -6.084 10.995 1.00 0.00 C ATOM 562 OD1 ASN A 37 3.817 -7.153 10.583 1.00 0.00 O ATOM 563 ND2 ASN A 37 5.149 -6.043 11.908 1.00 0.00 N ATOM 0 H ASN A 37 6.026 -4.217 9.995 1.00 0.00 H new ATOM 0 HA ASN A 37 4.025 -5.453 8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.934 -3.943 11.094 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.552 -4.814 10.461 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.541 -6.910 12.276 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.485 -5.144 12.253 1.00 0.00 H new ATOM 570 N ALA A 38 3.848 -2.199 8.424 1.00 0.00 N ATOM 571 CA ALA A 38 3.128 -1.045 7.799 1.00 0.00 C ATOM 572 C ALA A 38 2.863 -1.340 6.317 1.00 0.00 C ATOM 573 O ALA A 38 1.732 -1.466 5.889 1.00 0.00 O ATOM 574 CB ALA A 38 4.001 0.207 7.911 1.00 0.00 C ATOM 0 H ALA A 38 4.734 -1.961 8.871 1.00 0.00 H new ATOM 0 HA ALA A 38 2.179 -0.888 8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.484 1.053 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.196 0.422 8.962 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.945 0.040 7.393 1.00 0.00 H new ATOM 580 N TYR A 39 3.905 -1.444 5.537 1.00 0.00 N ATOM 581 CA TYR A 39 3.736 -1.718 4.080 1.00 0.00 C ATOM 582 C TYR A 39 3.460 -3.206 3.860 1.00 0.00 C ATOM 583 O TYR A 39 2.796 -3.587 2.915 1.00 0.00 O ATOM 584 CB TYR A 39 5.010 -1.315 3.335 1.00 0.00 C ATOM 585 CG TYR A 39 5.346 0.128 3.648 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.099 0.440 4.786 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.908 1.149 2.798 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.412 1.773 5.075 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.222 2.482 3.087 1.00 0.00 C ATOM 590 CZ TYR A 39 5.973 2.795 4.225 1.00 0.00 C ATOM 591 OH TYR A 39 6.282 4.109 4.510 1.00 0.00 O ATOM 0 H TYR A 39 4.872 -1.350 5.848 1.00 0.00 H new ATOM 0 HA TYR A 39 2.894 -1.140 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.836 -1.963 3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.871 -1.442 2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.439 -0.348 5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.328 0.909 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.992 2.013 5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.884 3.270 2.430 1.00 0.00 H new ATOM 0 HH TYR A 39 6.660 4.536 3.713 1.00 0.00 H new ATOM 601 N ARG A 40 3.965 -4.049 4.725 1.00 0.00 N ATOM 602 CA ARG A 40 3.733 -5.516 4.569 1.00 0.00 C ATOM 603 C ARG A 40 2.244 -5.818 4.746 1.00 0.00 C ATOM 604 O ARG A 40 1.652 -6.546 3.970 1.00 0.00 O ATOM 605 CB ARG A 40 4.537 -6.274 5.627 1.00 0.00 C ATOM 606 CG ARG A 40 4.844 -7.686 5.121 1.00 0.00 C ATOM 607 CD ARG A 40 3.550 -8.500 5.066 1.00 0.00 C ATOM 608 NE ARG A 40 3.865 -9.950 5.260 1.00 0.00 N ATOM 609 CZ ARG A 40 2.998 -10.891 4.943 1.00 0.00 C ATOM 610 NH1 ARG A 40 1.820 -10.599 4.441 1.00 0.00 N ATOM 611 NH2 ARG A 40 3.319 -12.142 5.130 1.00 0.00 N ATOM 0 H ARG A 40 4.528 -3.784 5.533 1.00 0.00 H new ATOM 0 HA ARG A 40 4.052 -5.831 3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.465 -5.744 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.974 -6.325 6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.299 -7.638 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.564 -8.171 5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.861 -8.160 5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.054 -8.350 4.107 1.00 0.00 H new ATOM 0 HE ARG A 40 4.771 -10.216 5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.558 -9.625 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.167 -11.346 4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.232 -12.382 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.657 -12.880 4.889 1.00 0.00 H new ATOM 625 N LYS A 41 1.635 -5.263 5.763 1.00 0.00 N ATOM 626 CA LYS A 41 0.183 -5.513 6.003 1.00 0.00 C ATOM 627 C LYS A 41 -0.646 -4.808 4.926 1.00 0.00 C ATOM 628 O LYS A 41 -1.621 -5.346 4.434 1.00 0.00 O ATOM 629 CB LYS A 41 -0.205 -4.969 7.380 1.00 0.00 C ATOM 630 CG LYS A 41 -1.529 -5.595 7.824 1.00 0.00 C ATOM 631 CD LYS A 41 -1.249 -6.807 8.716 1.00 0.00 C ATOM 632 CE LYS A 41 -2.328 -6.909 9.796 1.00 0.00 C ATOM 633 NZ LYS A 41 -1.721 -7.423 11.056 1.00 0.00 N ATOM 0 H LYS A 41 2.084 -4.645 6.439 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.011 -6.585 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.577 -5.195 8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.299 -3.884 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.126 -4.862 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.110 -5.898 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.233 -7.717 8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.266 -6.712 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.778 -5.932 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.126 -7.574 9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.454 -7.493 11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.311 -8.363 10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.974 -6.772 11.372 1.00 0.00 H new ATOM 647 N ALA A 42 -0.268 -3.610 4.561 1.00 0.00 N ATOM 648 CA ALA A 42 -1.032 -2.863 3.518 1.00 0.00 C ATOM 649 C ALA A 42 -0.845 -3.542 2.160 1.00 0.00 C ATOM 650 O ALA A 42 -1.770 -3.644 1.377 1.00 0.00 O ATOM 651 CB ALA A 42 -0.521 -1.422 3.444 1.00 0.00 C ATOM 0 H ALA A 42 0.539 -3.116 4.942 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.091 -2.860 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.079 -0.877 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.658 -0.937 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.538 -1.424 3.186 1.00 0.00 H new ATOM 657 N ALA A 43 0.347 -4.003 1.876 1.00 0.00 N ATOM 658 CA ALA A 43 0.604 -4.676 0.568 1.00 0.00 C ATOM 659 C ALA A 43 -0.263 -5.933 0.453 1.00 0.00 C ATOM 660 O ALA A 43 -0.617 -6.351 -0.632 1.00 0.00 O ATOM 661 CB ALA A 43 2.080 -5.072 0.479 1.00 0.00 C ATOM 0 H ALA A 43 1.155 -3.942 2.496 1.00 0.00 H new ATOM 0 HA ALA A 43 0.358 -3.990 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.268 -5.563 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.701 -4.180 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.323 -5.755 1.293 1.00 0.00 H new ATOM 667 N SER A 44 -0.602 -6.538 1.563 1.00 0.00 N ATOM 668 CA SER A 44 -1.439 -7.773 1.523 1.00 0.00 C ATOM 669 C SER A 44 -2.872 -7.423 1.108 1.00 0.00 C ATOM 670 O SER A 44 -3.430 -8.027 0.210 1.00 0.00 O ATOM 671 CB SER A 44 -1.455 -8.422 2.908 1.00 0.00 C ATOM 672 OG SER A 44 -2.279 -7.656 3.776 1.00 0.00 O ATOM 0 H SER A 44 -0.334 -6.228 2.497 1.00 0.00 H new ATOM 0 HA SER A 44 -1.016 -8.467 0.796 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.830 -9.443 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.442 -8.480 3.307 1.00 0.00 H new ATOM 0 HG SER A 44 -1.750 -6.937 4.180 1.00 0.00 H new ATOM 678 N VAL A 45 -3.475 -6.462 1.763 1.00 0.00 N ATOM 679 CA VAL A 45 -4.878 -6.079 1.419 1.00 0.00 C ATOM 680 C VAL A 45 -4.917 -5.393 0.046 1.00 0.00 C ATOM 681 O VAL A 45 -5.777 -5.674 -0.766 1.00 0.00 O ATOM 682 CB VAL A 45 -5.431 -5.134 2.501 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.596 -3.851 2.562 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.890 -4.778 2.183 1.00 0.00 C ATOM 0 H VAL A 45 -3.055 -5.926 2.522 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.496 -6.976 1.376 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.380 -5.639 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.998 -3.192 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.562 -4.101 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.633 -3.347 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.277 -4.109 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.941 -4.284 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.490 -5.688 2.159 1.00 0.00 H new ATOM 694 N ILE A 46 -4.002 -4.493 -0.212 1.00 0.00 N ATOM 695 CA ILE A 46 -3.995 -3.780 -1.525 1.00 0.00 C ATOM 696 C ILE A 46 -3.659 -4.763 -2.653 1.00 0.00 C ATOM 697 O ILE A 46 -4.087 -4.591 -3.778 1.00 0.00 O ATOM 698 CB ILE A 46 -2.957 -2.653 -1.485 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.280 -1.712 -0.321 1.00 0.00 C ATOM 700 CG2 ILE A 46 -2.997 -1.863 -2.798 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.164 -0.677 -0.170 1.00 0.00 C ATOM 0 H ILE A 46 -3.259 -4.221 0.431 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.982 -3.356 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.964 -3.082 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.232 -1.211 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.387 -2.283 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.257 -1.063 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.773 -2.530 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.990 -1.434 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.397 -0.009 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.220 -1.186 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.078 -0.098 -1.089 1.00 0.00 H new ATOM 713 N ALA A 47 -2.896 -5.786 -2.362 1.00 0.00 N ATOM 714 CA ALA A 47 -2.532 -6.778 -3.419 1.00 0.00 C ATOM 715 C ALA A 47 -3.566 -7.913 -3.472 1.00 0.00 C ATOM 716 O ALA A 47 -3.592 -8.683 -4.414 1.00 0.00 O ATOM 717 CB ALA A 47 -1.153 -7.366 -3.114 1.00 0.00 C ATOM 0 H ALA A 47 -2.509 -5.977 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.515 -6.270 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.887 -8.090 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.412 -6.566 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.175 -7.862 -2.143 1.00 0.00 H new ATOM 723 N LYS A 48 -4.412 -8.030 -2.474 1.00 0.00 N ATOM 724 CA LYS A 48 -5.432 -9.121 -2.480 1.00 0.00 C ATOM 725 C LYS A 48 -6.834 -8.522 -2.357 1.00 0.00 C ATOM 726 O LYS A 48 -7.743 -9.154 -1.850 1.00 0.00 O ATOM 727 CB LYS A 48 -5.177 -10.057 -1.298 1.00 0.00 C ATOM 728 CG LYS A 48 -5.803 -11.423 -1.583 1.00 0.00 C ATOM 729 CD LYS A 48 -4.979 -12.151 -2.647 1.00 0.00 C ATOM 730 CE LYS A 48 -5.216 -13.658 -2.535 1.00 0.00 C ATOM 731 NZ LYS A 48 -4.280 -14.377 -3.445 1.00 0.00 N ATOM 0 H LYS A 48 -4.438 -7.417 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.359 -9.677 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.105 -10.164 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.601 -9.634 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.840 -12.015 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.830 -11.300 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.259 -11.801 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.920 -11.928 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.064 -13.985 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.247 -13.895 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.441 -15.402 -3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.446 -14.072 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.299 -14.160 -3.176 1.00 0.00 H new ATOM 745 N TYR A 49 -7.017 -7.310 -2.817 1.00 0.00 N ATOM 746 CA TYR A 49 -8.359 -6.666 -2.729 1.00 0.00 C ATOM 747 C TYR A 49 -9.205 -7.091 -3.943 1.00 0.00 C ATOM 748 O TYR A 49 -8.673 -7.233 -5.027 1.00 0.00 O ATOM 749 CB TYR A 49 -8.188 -5.140 -2.726 1.00 0.00 C ATOM 750 CG TYR A 49 -9.342 -4.475 -2.003 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.757 -4.943 -0.749 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.993 -3.381 -2.586 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.819 -4.323 -0.082 1.00 0.00 C ATOM 754 CE2 TYR A 49 -11.055 -2.759 -1.918 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.468 -3.229 -0.667 1.00 0.00 C ATOM 756 OH TYR A 49 -12.514 -2.616 -0.009 1.00 0.00 O ATOM 0 H TYR A 49 -6.292 -6.739 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.860 -6.976 -1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.248 -4.875 -2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.134 -4.773 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.255 -5.785 -0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.676 -3.017 -3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.138 -4.688 0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.556 -1.915 -2.369 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.387 -2.701 0.959 1.00 0.00 H new ATOM 766 N PRO A 50 -10.497 -7.281 -3.745 1.00 0.00 N ATOM 767 CA PRO A 50 -11.438 -7.691 -4.834 1.00 0.00 C ATOM 768 C PRO A 50 -11.962 -6.469 -5.599 1.00 0.00 C ATOM 769 O PRO A 50 -12.802 -6.599 -6.470 1.00 0.00 O ATOM 770 CB PRO A 50 -12.573 -8.373 -4.082 1.00 0.00 C ATOM 771 CG PRO A 50 -12.569 -7.826 -2.666 1.00 0.00 C ATOM 772 CD PRO A 50 -11.230 -7.121 -2.437 1.00 0.00 C ATOM 0 HA PRO A 50 -10.966 -8.332 -5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.529 -8.176 -4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.435 -9.454 -4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.396 -7.130 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.704 -8.632 -1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.372 -6.070 -2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.678 -7.574 -1.613 1.00 0.00 H new ATOM 780 N HIS A 51 -11.488 -5.286 -5.280 1.00 0.00 N ATOM 781 CA HIS A 51 -11.986 -4.071 -5.996 1.00 0.00 C ATOM 782 C HIS A 51 -10.846 -3.064 -6.154 1.00 0.00 C ATOM 783 O HIS A 51 -9.720 -3.322 -5.771 1.00 0.00 O ATOM 784 CB HIS A 51 -13.134 -3.440 -5.196 1.00 0.00 C ATOM 785 CG HIS A 51 -14.119 -4.509 -4.797 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.945 -5.136 -5.716 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.396 -5.094 -3.586 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.671 -6.053 -5.050 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.376 -6.068 -3.748 1.00 0.00 N ATOM 0 H HIS A 51 -10.785 -5.112 -4.562 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.350 -4.354 -6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.742 -2.943 -4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.632 -2.678 -5.795 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.924 -4.837 -2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.403 -6.698 -5.513 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.782 -6.665 -3.027 1.00 0.00 H new ATOM 797 N LYS A 52 -11.130 -1.919 -6.724 1.00 0.00 N ATOM 798 CA LYS A 52 -10.069 -0.889 -6.919 1.00 0.00 C ATOM 799 C LYS A 52 -10.356 0.322 -6.029 1.00 0.00 C ATOM 800 O LYS A 52 -11.468 0.519 -5.575 1.00 0.00 O ATOM 801 CB LYS A 52 -10.050 -0.452 -8.386 1.00 0.00 C ATOM 802 CG LYS A 52 -8.614 -0.128 -8.812 1.00 0.00 C ATOM 803 CD LYS A 52 -8.391 1.384 -8.766 1.00 0.00 C ATOM 804 CE LYS A 52 -6.923 1.676 -8.451 1.00 0.00 C ATOM 805 NZ LYS A 52 -6.508 2.932 -9.137 1.00 0.00 N ATOM 0 H LYS A 52 -12.055 -1.655 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.101 -1.311 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.456 -1.243 -9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.686 0.423 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.907 -0.630 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.430 -0.502 -9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.664 1.831 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.033 1.834 -8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.784 1.774 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.297 0.846 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.510 3.131 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.627 2.822 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.097 3.721 -8.803 1.00 0.00 H new ATOM 819 N ILE A 53 -9.360 1.133 -5.780 1.00 0.00 N ATOM 820 CA ILE A 53 -9.562 2.337 -4.922 1.00 0.00 C ATOM 821 C ILE A 53 -9.149 3.588 -5.700 1.00 0.00 C ATOM 822 O ILE A 53 -8.319 3.531 -6.588 1.00 0.00 O ATOM 823 CB ILE A 53 -8.707 2.214 -3.659 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.249 1.960 -4.052 1.00 0.00 C ATOM 825 CG2 ILE A 53 -9.215 1.050 -2.808 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.344 2.205 -2.843 1.00 0.00 C ATOM 0 H ILE A 53 -8.412 1.012 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.612 2.413 -4.641 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.774 3.138 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.130 0.936 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.963 2.617 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.605 0.963 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.253 1.230 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.150 0.125 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.306 2.024 -3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.455 3.236 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.625 1.529 -2.035 1.00 0.00 H new ATOM 838 N LYS A 54 -9.720 4.718 -5.369 1.00 0.00 N ATOM 839 CA LYS A 54 -9.366 5.980 -6.083 1.00 0.00 C ATOM 840 C LYS A 54 -9.228 7.119 -5.068 1.00 0.00 C ATOM 841 O LYS A 54 -9.453 8.272 -5.386 1.00 0.00 O ATOM 842 CB LYS A 54 -10.467 6.324 -7.088 1.00 0.00 C ATOM 843 CG LYS A 54 -10.245 5.531 -8.378 1.00 0.00 C ATOM 844 CD LYS A 54 -9.438 6.376 -9.365 1.00 0.00 C ATOM 845 CE LYS A 54 -9.878 6.051 -10.794 1.00 0.00 C ATOM 846 NZ LYS A 54 -9.600 7.220 -11.677 1.00 0.00 N ATOM 0 H LYS A 54 -10.418 4.820 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.422 5.846 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.445 6.089 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.460 7.393 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.716 4.603 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.204 5.256 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.587 7.436 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.373 6.175 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.347 5.172 -11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.941 5.812 -10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.899 7.000 -12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.126 8.048 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.581 7.428 -11.667 1.00 0.00 H new ATOM 860 N SER A 55 -8.858 6.802 -3.853 1.00 0.00 N ATOM 861 CA SER A 55 -8.703 7.860 -2.812 1.00 0.00 C ATOM 862 C SER A 55 -8.038 7.260 -1.572 1.00 0.00 C ATOM 863 O SER A 55 -8.172 6.083 -1.293 1.00 0.00 O ATOM 864 CB SER A 55 -10.079 8.412 -2.437 1.00 0.00 C ATOM 865 OG SER A 55 -9.916 9.596 -1.669 1.00 0.00 O ATOM 0 H SER A 55 -8.656 5.853 -3.538 1.00 0.00 H new ATOM 0 HA SER A 55 -8.083 8.667 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.656 8.625 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.639 7.670 -1.868 1.00 0.00 H new ATOM 0 HG SER A 55 -10.796 9.954 -1.428 1.00 0.00 H new ATOM 871 N GLY A 56 -7.322 8.063 -0.826 1.00 0.00 N ATOM 872 CA GLY A 56 -6.642 7.551 0.401 1.00 0.00 C ATOM 873 C GLY A 56 -7.688 7.037 1.394 1.00 0.00 C ATOM 874 O GLY A 56 -7.417 6.156 2.189 1.00 0.00 O ATOM 0 H GLY A 56 -7.179 9.055 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.951 6.750 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.051 8.344 0.859 1.00 0.00 H new ATOM 878 N ALA A 57 -8.879 7.581 1.356 1.00 0.00 N ATOM 879 CA ALA A 57 -9.947 7.129 2.296 1.00 0.00 C ATOM 880 C ALA A 57 -10.259 5.650 2.050 1.00 0.00 C ATOM 881 O ALA A 57 -10.611 4.923 2.959 1.00 0.00 O ATOM 882 CB ALA A 57 -11.211 7.960 2.068 1.00 0.00 C ATOM 0 H ALA A 57 -9.157 8.321 0.712 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.603 7.260 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.992 7.631 2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.991 9.013 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.552 7.830 1.041 1.00 0.00 H new ATOM 888 N GLU A 58 -10.132 5.205 0.825 1.00 0.00 N ATOM 889 CA GLU A 58 -10.419 3.774 0.509 1.00 0.00 C ATOM 890 C GLU A 58 -9.293 2.874 1.038 1.00 0.00 C ATOM 891 O GLU A 58 -9.449 1.669 1.118 1.00 0.00 O ATOM 892 CB GLU A 58 -10.537 3.603 -1.009 1.00 0.00 C ATOM 893 CG GLU A 58 -11.884 4.159 -1.492 1.00 0.00 C ATOM 894 CD GLU A 58 -12.553 3.154 -2.436 1.00 0.00 C ATOM 895 OE1 GLU A 58 -13.169 2.226 -1.940 1.00 0.00 O ATOM 896 OE2 GLU A 58 -12.438 3.331 -3.637 1.00 0.00 O ATOM 0 H GLU A 58 -9.841 5.773 0.029 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.355 3.487 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.719 4.123 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.453 2.549 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.533 4.358 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.733 5.109 -2.005 1.00 0.00 H new ATOM 903 N ALA A 59 -8.164 3.439 1.397 1.00 0.00 N ATOM 904 CA ALA A 59 -7.039 2.605 1.916 1.00 0.00 C ATOM 905 C ALA A 59 -7.153 2.474 3.438 1.00 0.00 C ATOM 906 O ALA A 59 -6.735 1.488 4.015 1.00 0.00 O ATOM 907 CB ALA A 59 -5.707 3.268 1.561 1.00 0.00 C ATOM 0 H ALA A 59 -7.976 4.440 1.352 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.086 1.614 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.886 2.660 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.623 3.358 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.662 4.259 2.012 1.00 0.00 H new ATOM 913 N LYS A 60 -7.711 3.464 4.089 1.00 0.00 N ATOM 914 CA LYS A 60 -7.849 3.406 5.575 1.00 0.00 C ATOM 915 C LYS A 60 -9.006 2.477 5.952 1.00 0.00 C ATOM 916 O LYS A 60 -8.996 1.860 7.001 1.00 0.00 O ATOM 917 CB LYS A 60 -8.115 4.812 6.125 1.00 0.00 C ATOM 918 CG LYS A 60 -9.350 5.411 5.447 1.00 0.00 C ATOM 919 CD LYS A 60 -9.805 6.649 6.220 1.00 0.00 C ATOM 920 CE LYS A 60 -10.869 6.250 7.243 1.00 0.00 C ATOM 921 NZ LYS A 60 -10.209 5.668 8.446 1.00 0.00 N ATOM 0 H LYS A 60 -8.077 4.311 3.654 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.925 3.020 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.267 4.767 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.248 5.450 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.119 5.678 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.153 4.675 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.955 7.109 6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.208 7.393 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.461 7.120 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.556 5.525 6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.797 5.846 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.093 4.643 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.276 6.108 8.577 1.00 0.00 H new ATOM 935 N LYS A 61 -10.001 2.373 5.107 1.00 0.00 N ATOM 936 CA LYS A 61 -11.161 1.484 5.416 1.00 0.00 C ATOM 937 C LYS A 61 -10.710 0.020 5.386 1.00 0.00 C ATOM 938 O LYS A 61 -11.280 -0.827 6.050 1.00 0.00 O ATOM 939 CB LYS A 61 -12.269 1.704 4.376 1.00 0.00 C ATOM 940 CG LYS A 61 -11.741 1.392 2.972 1.00 0.00 C ATOM 941 CD LYS A 61 -12.877 1.525 1.957 1.00 0.00 C ATOM 942 CE LYS A 61 -12.562 0.677 0.723 1.00 0.00 C ATOM 943 NZ LYS A 61 -13.802 0.491 -0.082 1.00 0.00 N ATOM 0 H LYS A 61 -10.059 2.866 4.216 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.544 1.722 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.123 1.066 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.621 2.735 4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.930 2.074 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.330 0.383 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.817 1.201 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.003 2.569 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.794 1.163 0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.164 -0.291 1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.873 -0.501 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.631 0.736 0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.769 1.108 -0.918 1.00 0.00 H new ATOM 957 N LEU A 62 -9.696 -0.283 4.614 1.00 0.00 N ATOM 958 CA LEU A 62 -9.207 -1.689 4.527 1.00 0.00 C ATOM 959 C LEU A 62 -8.718 -2.151 5.913 1.00 0.00 C ATOM 960 O LEU A 62 -8.189 -1.356 6.666 1.00 0.00 O ATOM 961 CB LEU A 62 -8.049 -1.765 3.526 1.00 0.00 C ATOM 962 CG LEU A 62 -8.508 -1.250 2.158 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.320 -1.234 1.194 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.599 -2.168 1.601 1.00 0.00 C ATOM 0 H LEU A 62 -9.186 0.387 4.039 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.019 -2.336 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.208 -1.172 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.699 -2.794 3.438 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.904 -0.241 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.646 -0.868 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.542 -0.579 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.924 -2.244 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.923 -1.799 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.204 -3.178 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.447 -2.181 2.285 1.00 0.00 H new ATOM 976 N PRO A 63 -8.900 -3.424 6.219 1.00 0.00 N ATOM 977 CA PRO A 63 -8.477 -4.017 7.528 1.00 0.00 C ATOM 978 C PRO A 63 -6.975 -4.299 7.520 1.00 0.00 C ATOM 979 O PRO A 63 -6.496 -5.143 6.786 1.00 0.00 O ATOM 980 CB PRO A 63 -9.280 -5.307 7.618 1.00 0.00 C ATOM 981 CG PRO A 63 -9.637 -5.711 6.201 1.00 0.00 C ATOM 982 CD PRO A 63 -9.536 -4.462 5.325 1.00 0.00 C ATOM 0 HA PRO A 63 -8.656 -3.358 8.377 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.699 -6.089 8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.180 -5.159 8.215 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.960 -6.486 5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.645 -6.125 6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.930 -4.647 4.438 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.518 -4.140 4.979 1.00 0.00 H new ATOM 990 N GLY A 64 -6.233 -3.589 8.328 1.00 0.00 N ATOM 991 CA GLY A 64 -4.757 -3.795 8.374 1.00 0.00 C ATOM 992 C GLY A 64 -4.053 -2.474 8.058 1.00 0.00 C ATOM 993 O GLY A 64 -2.949 -2.227 8.509 1.00 0.00 O ATOM 0 H GLY A 64 -6.588 -2.872 8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.459 -4.153 9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.462 -4.559 7.655 1.00 0.00 H new ATOM 997 N VAL A 65 -4.683 -1.622 7.285 1.00 0.00 N ATOM 998 CA VAL A 65 -4.054 -0.315 6.936 1.00 0.00 C ATOM 999 C VAL A 65 -4.447 0.733 7.980 1.00 0.00 C ATOM 1000 O VAL A 65 -5.581 0.793 8.414 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.539 0.135 5.557 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.776 1.390 5.131 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.290 -0.981 4.540 1.00 0.00 C ATOM 0 H VAL A 65 -5.607 -1.778 6.882 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.970 -0.427 6.920 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.605 0.356 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.122 1.710 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.952 2.186 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.709 1.170 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.635 -0.661 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.223 -1.202 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.834 -1.876 4.842 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.513 1.556 8.383 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.820 2.605 9.399 1.00 0.00 C ATOM 1015 C GLY A 66 -3.850 3.977 8.724 1.00 0.00 C ATOM 1016 O GLY A 66 -4.351 4.126 7.626 1.00 0.00 O ATOM 0 H GLY A 66 -2.549 1.546 8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.781 2.399 9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.068 2.593 10.188 1.00 0.00 H new ATOM 1020 N THR A 67 -3.315 4.979 9.375 1.00 0.00 N ATOM 1021 CA THR A 67 -3.307 6.348 8.778 1.00 0.00 C ATOM 1022 C THR A 67 -1.942 6.623 8.141 1.00 0.00 C ATOM 1023 O THR A 67 -1.832 7.381 7.197 1.00 0.00 O ATOM 1024 CB THR A 67 -3.581 7.385 9.870 1.00 0.00 C ATOM 1025 OG1 THR A 67 -3.421 8.690 9.332 1.00 0.00 O ATOM 1026 CG2 THR A 67 -2.600 7.187 11.028 1.00 0.00 C ATOM 0 H THR A 67 -2.883 4.907 10.296 1.00 0.00 H new ATOM 0 HA THR A 67 -4.082 6.413 8.014 1.00 0.00 H new ATOM 0 HB THR A 67 -4.600 7.263 10.237 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.598 9.355 10.030 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.798 7.927 11.803 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.723 6.186 11.442 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.579 7.307 10.665 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.902 6.013 8.653 1.00 0.00 N ATOM 1035 CA LYS A 68 0.459 6.235 8.084 1.00 0.00 C ATOM 1036 C LYS A 68 0.531 5.629 6.679 1.00 0.00 C ATOM 1037 O LYS A 68 0.693 6.332 5.700 1.00 0.00 O ATOM 1038 CB LYS A 68 1.504 5.568 8.981 1.00 0.00 C ATOM 1039 CG LYS A 68 1.749 6.440 10.214 1.00 0.00 C ATOM 1040 CD LYS A 68 2.796 7.506 9.886 1.00 0.00 C ATOM 1041 CE LYS A 68 3.114 8.315 11.144 1.00 0.00 C ATOM 1042 NZ LYS A 68 1.974 9.224 11.452 1.00 0.00 N ATOM 0 H LYS A 68 -0.939 5.369 9.443 1.00 0.00 H new ATOM 0 HA LYS A 68 0.658 7.305 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.161 4.579 9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.435 5.427 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.819 6.913 10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.090 5.824 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.702 7.035 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.425 8.165 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.296 7.645 11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.025 8.894 10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.254 9.891 12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.711 9.754 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.160 8.663 11.775 1.00 0.00 H new ATOM 1056 N ILE A 69 0.415 4.329 6.578 1.00 0.00 N ATOM 1057 CA ILE A 69 0.480 3.666 5.242 1.00 0.00 C ATOM 1058 C ILE A 69 -0.661 4.172 4.355 1.00 0.00 C ATOM 1059 O ILE A 69 -0.476 4.425 3.180 1.00 0.00 O ATOM 1060 CB ILE A 69 0.356 2.151 5.432 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.474 1.665 6.367 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.463 1.438 4.076 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.852 1.934 5.742 1.00 0.00 C ATOM 0 H ILE A 69 0.278 3.697 7.367 1.00 0.00 H new ATOM 0 HA ILE A 69 1.430 3.900 4.762 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.614 1.921 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.399 2.173 7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.357 0.599 6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.374 0.362 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.336 1.782 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.428 1.663 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.633 1.584 6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.930 1.405 4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.972 3.004 5.573 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.837 4.316 4.910 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.000 4.803 4.104 1.00 0.00 C ATOM 1077 C ALA A 70 -2.675 6.173 3.503 1.00 0.00 C ATOM 1078 O ALA A 70 -3.052 6.476 2.386 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.231 4.917 5.003 1.00 0.00 C ATOM 0 H ALA A 70 -2.044 4.117 5.889 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.202 4.097 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.078 5.272 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.465 3.940 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.028 5.621 5.810 1.00 0.00 H new ATOM 1085 N GLU A 71 -1.973 7.002 4.237 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.613 8.350 3.719 1.00 0.00 C ATOM 1087 C GLU A 71 -0.742 8.202 2.470 1.00 0.00 C ATOM 1088 O GLU A 71 -0.895 8.928 1.504 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.840 9.117 4.794 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.810 9.974 5.609 1.00 0.00 C ATOM 1091 CD GLU A 71 -1.952 11.350 4.956 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -1.159 12.220 5.275 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -2.851 11.509 4.147 1.00 0.00 O ATOM 0 H GLU A 71 -1.634 6.798 5.177 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.521 8.897 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.317 8.419 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.082 9.748 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.783 9.485 5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.446 10.081 6.631 1.00 0.00 H new ATOM 1100 N LYS A 72 0.170 7.261 2.483 1.00 0.00 N ATOM 1101 CA LYS A 72 1.057 7.050 1.301 1.00 0.00 C ATOM 1102 C LYS A 72 0.206 6.644 0.097 1.00 0.00 C ATOM 1103 O LYS A 72 0.518 6.973 -1.033 1.00 0.00 O ATOM 1104 CB LYS A 72 2.065 5.942 1.611 1.00 0.00 C ATOM 1105 CG LYS A 72 3.100 6.457 2.614 1.00 0.00 C ATOM 1106 CD LYS A 72 4.314 7.002 1.860 1.00 0.00 C ATOM 1107 CE LYS A 72 5.494 7.139 2.823 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.770 7.099 2.055 1.00 0.00 N ATOM 0 H LYS A 72 0.337 6.628 3.265 1.00 0.00 H new ATOM 0 HA LYS A 72 1.592 7.973 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.550 5.072 2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.560 5.620 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.663 7.239 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.405 5.653 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.576 6.334 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.077 7.970 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.419 8.076 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.474 6.333 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.572 7.192 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.841 6.194 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.788 7.882 1.371 1.00 0.00 H new ATOM 1122 N ILE A 73 -0.869 5.936 0.333 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.753 5.508 -0.790 1.00 0.00 C ATOM 1124 C ILE A 73 -2.359 6.749 -1.447 1.00 0.00 C ATOM 1125 O ILE A 73 -2.434 6.848 -2.656 1.00 0.00 O ATOM 1126 CB ILE A 73 -2.871 4.608 -0.248 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.262 3.421 0.519 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.731 4.090 -1.407 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.348 2.601 -0.402 1.00 0.00 C ATOM 0 H ILE A 73 -1.173 5.635 1.259 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.173 4.951 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.497 5.188 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.694 3.786 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.057 2.787 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.523 3.452 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.174 4.933 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.109 3.516 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.925 1.765 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.927 2.220 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.542 3.235 -0.773 1.00 0.00 H new ATOM 1141 N ASP A 74 -2.786 7.702 -0.654 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.385 8.952 -1.216 1.00 0.00 C ATOM 1143 C ASP A 74 -2.398 9.607 -2.188 1.00 0.00 C ATOM 1144 O ASP A 74 -2.775 10.082 -3.242 1.00 0.00 O ATOM 1145 CB ASP A 74 -3.698 9.926 -0.077 1.00 0.00 C ATOM 1146 CG ASP A 74 -4.465 11.129 -0.628 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -3.825 12.019 -1.164 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -5.678 11.139 -0.505 1.00 0.00 O ATOM 0 H ASP A 74 -2.745 7.667 0.365 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.304 8.703 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.288 9.426 0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.774 10.257 0.397 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.133 9.618 -1.844 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.113 10.222 -2.751 1.00 0.00 C ATOM 1155 C GLU A 75 -0.070 9.421 -4.056 1.00 0.00 C ATOM 1156 O GLU A 75 0.225 9.949 -5.111 1.00 0.00 O ATOM 1157 CB GLU A 75 1.261 10.175 -2.078 1.00 0.00 C ATOM 1158 CG GLU A 75 1.484 11.464 -1.282 1.00 0.00 C ATOM 1159 CD GLU A 75 1.013 11.261 0.159 1.00 0.00 C ATOM 1160 OE1 GLU A 75 1.702 10.576 0.896 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -0.029 11.796 0.501 1.00 0.00 O ATOM 0 H GLU A 75 -0.765 9.234 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.375 11.259 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.324 9.311 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.042 10.059 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.540 11.735 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.938 12.287 -1.742 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.372 8.149 -3.986 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.367 7.297 -5.209 1.00 0.00 C ATOM 1170 C PHE A 76 -1.526 7.704 -6.114 1.00 0.00 C ATOM 1171 O PHE A 76 -1.354 7.966 -7.288 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.543 5.827 -4.796 1.00 0.00 C ATOM 1173 CG PHE A 76 0.736 5.072 -5.033 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.749 5.099 -4.073 1.00 0.00 C ATOM 1175 CD2 PHE A 76 0.905 4.345 -6.216 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.941 4.397 -4.293 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.095 3.642 -6.438 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.113 3.668 -5.476 1.00 0.00 C ATOM 0 H PHE A 76 -0.624 7.662 -3.126 1.00 0.00 H new ATOM 0 HA PHE A 76 0.575 7.424 -5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.821 5.767 -3.744 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.354 5.374 -5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.614 5.661 -3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.119 4.326 -6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.726 4.418 -3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.228 3.080 -7.350 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.031 3.125 -5.647 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.708 7.739 -5.566 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.904 8.106 -6.367 1.00 0.00 C ATOM 1190 C LEU A 77 -3.885 9.606 -6.683 1.00 0.00 C ATOM 1191 O LEU A 77 -4.474 10.047 -7.652 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.167 7.766 -5.566 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.431 6.248 -5.554 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.491 5.699 -6.982 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.318 5.536 -4.783 1.00 0.00 C ATOM 0 H LEU A 77 -2.896 7.526 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.897 7.548 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.059 8.127 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.024 8.283 -5.998 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.390 6.068 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.678 4.626 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.295 6.192 -7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.542 5.888 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.509 4.463 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.360 5.732 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.292 5.906 -3.758 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.219 10.395 -5.874 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.168 11.866 -6.128 1.00 0.00 C ATOM 1209 C ALA A 78 -2.492 12.133 -7.479 1.00 0.00 C ATOM 1210 O ALA A 78 -3.152 12.380 -8.471 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.378 12.550 -5.008 1.00 0.00 C ATOM 0 H ALA A 78 -2.709 10.081 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.182 12.266 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.340 13.624 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.867 12.363 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.364 12.151 -4.982 1.00 0.00 H new ATOM 1217 N THR A 79 -1.183 12.083 -7.525 1.00 0.00 N ATOM 1218 CA THR A 79 -0.463 12.332 -8.808 1.00 0.00 C ATOM 1219 C THR A 79 0.236 11.048 -9.258 1.00 0.00 C ATOM 1220 O THR A 79 0.062 10.595 -10.374 1.00 0.00 O ATOM 1221 CB THR A 79 0.580 13.435 -8.602 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.058 14.417 -7.717 1.00 0.00 O ATOM 1223 CG2 THR A 79 0.914 14.082 -9.947 1.00 0.00 C ATOM 0 H THR A 79 -0.583 11.880 -6.726 1.00 0.00 H new ATOM 0 HA THR A 79 -1.177 12.644 -9.571 1.00 0.00 H new ATOM 0 HB THR A 79 1.486 13.005 -8.175 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.724 15.123 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.656 14.867 -9.799 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.314 13.327 -10.624 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.010 14.514 -10.377 1.00 0.00 H new